# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2025-02-17T03:05:31+01:00 # Query: # SELECT data.* # FROM # data # WHERE # (status is null or status != 'retracted') and # (year = 2023 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical')) # ORDER BY file asc file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold "1567181","26.371","0.007","5.2029","0.0013","8.904","0.002","90","","99.325","0.002","90","","1205.5","0.5","298","","298","","0","","0","","","","","4","P 1 21/a 1","-P 2yab","14","","Glutaric acid isonicotinamide","Form II","- C11 H14 N2 O5 -","- C11 H14 N2 O5 -","- C44 H56 N8 O20 -","4","1","","Linberg, Kevin; Röder, Bettina; Al-Sabbagh, Dominik; Emmerling, Franziska; Michalchuk, Adam A. L.","Controlling polymorphism in molecular cocrystals by variable temperature ball milling.","Faraday discussions","2023","241","0","178","193","10.1039/d2fd00115b","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","8.58","","","","","","","has coordinates","283357","2023-05-05","02:46:22","" "1567249","6.316","","7.365","","17.769","","90","","81.08","","90","","816.57","","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Ag Br N2 -","- C6 H8 Ag Br N2 -","- C24 H32 Ag4 Br4 N8 -","4","1","","Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia","AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization.","Faraday discussions","2023","241","0","448","465","10.1039/d2fd00093h","powder diffraction","x-ray","1.535","CuKα","","","","","","","","","0.0143","1.33691","","","","","","","has coordinates","281467","2023-03-04","18:23:29","" "1567250","7.8259","0.0005","13.3434","0.0007","7.8729","0.0008","90","","103.64","0.009","90","","798.93","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Br N2 -","- C6 H9 Br N2 -","- C24 H36 Br4 N8 -","4","1","","Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia","AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization.","Faraday discussions","2023","241","0","448","465","10.1039/d2fd00093h","","","0.71073","MoKα","","0.0669","0.0428","","","0.0816","0.0913","","","","","","1.069","","","","has coordinates","281467","2023-03-04","18:23:29","" "1567251","9.4518","0.0006","6.188","0.0003","14.3981","0.0009","90","","105.712","0.006","90","","810.65","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Ag Br N2 -","- C6 H8 Ag Br N2 -","- C24 H32 Ag4 Br4 N8 -","4","1","","Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia","AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization.","Faraday discussions","2023","241","0","448","465","10.1039/d2fd00093h","","","0.71073","MoKα","","0.0581","0.0419","","","0.0749","0.0852","","","","","","1.041","","","","has coordinates","281467","2023-03-04","18:23:29","" "1567252","16.9162","0.0007","4.5682","0.0002","22.7197","0.0008","90","","90.447","0.004","90","","1755.65","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Ag I N2 -","- C6 H8 Ag I N2 -","- C48 H64 Ag8 I8 N16 -","8","2","","Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia","AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization.","Faraday discussions","2023","241","0","448","465","10.1039/d2fd00093h","","x-ray","0.71073","MoKα","","0.1147","0.0596","","","0.1174","0.1349","","","","","","1.066","","","","has coordinates","281467","2023-03-04","18:23:29","" "1567253","4.579","","10.323","","10.263","","112.54","","83.86","","85.59","","441.808","","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Ag I N2 -","- C6 H8 Ag I N2 -","- C12 H16 Ag2 I2 N4 -","2","1","","Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia","AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization.","Faraday discussions","2023","241","0","448","465","10.1039/d2fd00093h","powder diffraction","x-ray","1.535","CuKα","","","","","","","","","0.0063","2.0357","","","","","","","has coordinates","281467","2023-03-04","18:23:29","" "1567254","4.3871","0.0005","10.1081","0.0012","10.251","0.0018","113.498","0.014","97.081","0.012","93.535","0.009","410.63","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Ag Br N2 -","- C6 H8 Ag Br N2 -","- C12 H16 Ag2 Br2 N4 -","2","1","","Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia","AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization.","Faraday discussions","2023","241","0","448","465","10.1039/d2fd00093h","","x-ray","0.71073","MoKα","","0.0717","0.0448","","","0.0725","0.0854","","","","","","0.983","","","","has coordinates","288248","2023-12-12","12:55:27","" "1567345","7.72","0.002","4.78","0.002","19.85","0.004","90","0.03","92.22","0.03","90","0.03","731.9","0.4","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 -","- C24 H16 -","- C48 H32 -","2","0.5","","Biswas, Sankarsan; Banerjee, Sayan; Shlain, Milan A.; Bardin, Andrey A.; Ulijn, Rein V.; Nannenga, Brent L.; Rappe, Andrew M.; Braunschweig, Adam B.","Photomechanochemical control over stereoselectivity in the [2 + 2] photodimerization of acenaphthylene.","Faraday discussions","2023","241","0","266","277","10.1039/d2fd00122e","","","0.019687","300keVelectrons","","0.2738","0.2174","","","0.4281","0.472","","","","","","1.376","","","","has coordinates","281468","2023-03-04","18:23:38","" "1567389","7.5629","0.0002","7.8139","0.0002","7.4416","0.0002","90","","102.011","0.001","90","","430.14","0.02","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Potassium dicyanocuprate (I)","","- C2 Cu K N2 -","- C2 Cu K N2 -","- C8 Cu4 K4 N8 -","4","1","","Vainauskas, Jogirdas; Topić, Filip; Arhangelskis, Mihails; Titi, Hatem M.; Friščić, Tomislav","Polymorphs and solid solutions: materials with new luminescent properties obtained through mechanochemical transformation of dicyanoaurate(I) salts.","Faraday discussions","2023","241","0","425","447","10.1039/d2fd00134a","","","1.54178","CuKα","","0.0363","0.0319","","","0.0777","0.0813","","","","","","1.152","","","","has coordinates","283359","2023-05-05","02:47:05","" "1567390","7.3007","0.0001","7.3007","0.0001","17.5643","0.0004","90","","90","","120","","810.76","0.02","298","","298","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C2 Au K N2 -","- C2 Au K N2 -","- C12 Au6 K6 N12 -","6","0.25","","Vainauskas, Jogirdas; Topić, Filip; Arhangelskis, Mihails; Titi, Hatem M.; Friščić, Tomislav","Polymorphs and solid solutions: materials with new luminescent properties obtained through mechanochemical transformation of dicyanoaurate(I) salts.","Faraday discussions","2023","241","0","425","447","10.1039/d2fd00134a","","","1.54178","CuKα","","0.067","0.0649","","","0.1465","0.1503","","","","","","1.277","","","","has coordinates,has disorder","283359","2023-05-05","02:47:15","" "1567404","14.6788","0.0018","16.4689","0.0018","19.909","0.002","90.361","0.004","105.337","0.004","106.991","0.004","4420.6","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H116 Cl2 In2 N4 O8 S4 -","- C80 H116 Cl2 In2 N4 O8 S4 -","- C160 H232 Cl4 In4 N8 O16 S8 -","2","1","","Leon, Felix; Li, Chenfei; Reynes, Javier F.; Singh, Varun K.; Lian, Xiao; Ong, How Chee; Hum, Gavin; Sun, Handong; García, Felipe","Mechanosynthesis and photophysics of colour-tunable photoluminescent group 13 metal complexes with sterically demanding salen and salophen ligands.","Faraday discussions","2023","241","0","63","78","10.1039/d2fd00117a","","","0.71073","MoKα","","0.1755","0.0822","","","0.1384","0.1802","","","","","","1.101","","","","has coordinates,has disorder","283356","2023-05-05","02:46:13","" "1567441","23.28","0.0004","23.28","0.0004","19.9119","0.0004","90","","90","","120","","9345.6","0.3","298","2","298","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H31 N3 O2 S -","- C20 H31 N3 O2 S -","- C360 H558 N54 O36 S18 -","18","1","","Gonnet, Lori; Borchers, Tristan H.; Lennox, Cameron B.; Vainauskas, Jogirdas; Teoh, Yong; Titi, Hatem M.; Barrett, Christopher J.; Koenig, Stefan G.; Nagapudi, Karthik; Friščić, Tomislav","The ""η-sweet-spot"" (ηmax) in liquid-assisted mechanochemistry: polymorph control and the role of a liquid additive as either a catalyst or an inhibitor in resonant acoustic mixing (RAM).","Faraday discussions","2023","241","0","128","149","10.1039/d2fd00131d","","","1.54178","CuKα","","0.0783","0.0483","","","0.1219","0.1595","","","","","","1.137","","","","has coordinates","283358","2023-05-05","02:46:40","" "1567831","4.8045","0.0004","15.5425","0.0015","23.249","0.002","90","","92.476","0.006","90","","1734.5","0.3","300","2","300","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 -","- C27 H18 -","- C108 H72 -","4","1","","Zheng, Xiaoxin; Han, Quanxiang; Lin, Qinglian; Li, Cuicui; Jiang, Jinke; Guo, Qing; Ye, Xin; Yuan, Wang Zhang; Liu, Yang; Tao, Xutang","A processable, scalable, and stable full-color ultralong afterglow system based on heteroatom-free hydrocarbon doped polymers.","Materials horizons","2023","10","1","197","208","10.1039/d2mh00998f","","","1.54178","CuKα","","0.1179","0.096","","","0.2701","0.2875","","","","","","1.042","","","","has coordinates","281619","2023-03-04","18:50:14","" "1567867","8.2809","0.0007","22.5668","0.0016","16.3964","0.0018","90","","103.932","0.008","90","","2973.9","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","",";","","- C28 H37 Cl4 P -","- C28 H37 Cl4 P -","- C112 H148 Cl16 P4 -","4","1","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","","0.71073","MoKα","","0.1398","0.0988","","","0.2768","0.3098","","","","","","1.054","","","","has coordinates","281311","2023-03-04","17:35:34","" "1567868","8.8604","0.0009","17.881","0.002","18.306","0.0019","90","","95.479","0.004","90","","2887","0.5","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H43 Cl2 N O Ru -","- C31 H43 Cl2 N O Ru -","- C124 H172 Cl8 N4 O4 Ru4 -","4","1","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","x-ray","0.71073","MoKα","","0.0401","0.0315","","","0.0688","0.0733","","","","","","0.959","","","","has coordinates,has disorder","281311","2023-03-04","17:35:34","" "1567869","10.4383","0.0014","12.2309","0.0016","13.85","0.002","99.897","0.005","93.661","0.005","99.297","0.005","1711.4","0.4","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C34 H49 Cl4 N O Ru -","- C34 H49 Cl4 N O Ru -","- C68 H98 Cl8 N2 O2 Ru2 -","2","1","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","x-ray","0.71073","MoKα","","0.0799","0.0604","","","0.1505","0.1676","","","","","","1.014","","","","has coordinates","281311","2023-03-04","17:35:34","" "1567870","15.6535","0.0012","12.8229","0.0009","17.9202","0.0015","90","","100.381","0.004","90","","3538.1","0.5","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 Cl2 N O Ru S2 -","- C36 H45 Cl2 N O Ru S2 -","- C144 H180 Cl8 N4 O4 Ru4 S8 -","4","1","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","x-ray","0.71073","MoKα","","0.1636","0.1108","","","0.2393","0.277","","","","","","1.052","","","","has coordinates","281311","2023-03-04","17:35:34","" "1567871","8.7486","0.0006","19.3141","0.0012","43.739","0.003","90","","90","","90","","7390.6","0.9","150","2","150","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 Cl2 N2 O3 Ru -","- C35 H44 Cl2 N2 O3 Ru -","- C280 H352 Cl16 N16 O24 Ru8 -","8","2","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","x-ray","0.71073","MoKα","","0.1072","0.0768","","","0.1562","0.1668","","","","","","1.039","","","","has coordinates","281311","2023-03-04","17:35:34","" "1567872","17.3665","0.0011","11.5707","0.0006","17.4342","0.0011","90","","115.407","0.002","90","","3164.4","0.3","150","2","150","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C33 H40 Cl2 N2 O3 Ru -","- C33 H40 Cl2 N2 O3 Ru -","- C132 H160 Cl8 N8 O12 Ru4 -","4","2","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","x-ray","0.71073","MoKα","","0.0335","0.0275","","","0.0545","0.0567","","","","","","1.042","","","","has coordinates","281311","2023-03-04","17:35:34","" "1567888","12.3353","0.0002","12.2206","0.0003","32.2371","0.0008","90","","94.296","0.001","90","","4845.92","0.19","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H45 I8 N4 Pb2 -","- C32 H45 I8 N4 Pb2 -","- C128 H180 I32 N16 Pb8 -","4","1","","Febriansyah, Benny; Li, Yongxin; Giovanni, David; Salim, Teddy; Hooper, Thomas J. N.; Sim, Ying; Ma, Daphne; Laxmi, Shoba; Lekina, Yulia; Koh, Teck Ming; Shen, Ze Xiang; Pullarkat, Sumod A.; Sum, Tze Chien; Mhaisalkar, Subodh G.; Ager, Joel W.; Mathews, Nripan","Inorganic frameworks of low-dimensional perovskites dictate the performance and stability of mixed-dimensional perovskite solar cells.","Materials horizons","2023","10","2","536","546","10.1039/d2mh00868h","","","0.71073","MoKα","","0.0395","0.0388","","","0.1038","0.1045","","","","","","1.125","","","","has coordinates","281622","2023-03-04","18:50:41","" "1567889","10.9954","0.0004","10.9954","0.0004","25.0526","0.0014","90","","90","","90","","3028.8","0.2","296","2","296","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C16 H28 I6 N4 Pb -","- C16 H28 I6 N4 Pb -","- C64 H112 I24 N16 Pb4 -","4","0.25","","Febriansyah, Benny; Li, Yongxin; Giovanni, David; Salim, Teddy; Hooper, Thomas J. N.; Sim, Ying; Ma, Daphne; Laxmi, Shoba; Lekina, Yulia; Koh, Teck Ming; Shen, Ze Xiang; Pullarkat, Sumod A.; Sum, Tze Chien; Mhaisalkar, Subodh G.; Ager, Joel W.; Mathews, Nripan","Inorganic frameworks of low-dimensional perovskites dictate the performance and stability of mixed-dimensional perovskite solar cells.","Materials horizons","2023","10","2","536","546","10.1039/d2mh00868h","","x-ray","0.71073","MoKα","","0.0574","0.0375","","","0.0878","0.0972","","","","","","1.053","","","","has coordinates,has disorder","281622","2023-03-04","18:50:42","" "1567890","6.3676","0.0005","12.592","0.0007","20.5523","0.0012","90","","96.257","0.004","90","","1638.08","0.18","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 I4 N2 Pb -","- C7 H12 I4 N2 Pb -","- C28 H48 I16 N8 Pb4 -","4","1","","Febriansyah, Benny; Li, Yongxin; Giovanni, David; Salim, Teddy; Hooper, Thomas J. N.; Sim, Ying; Ma, Daphne; Laxmi, Shoba; Lekina, Yulia; Koh, Teck Ming; Shen, Ze Xiang; Pullarkat, Sumod A.; Sum, Tze Chien; Mhaisalkar, Subodh G.; Ager, Joel W.; Mathews, Nripan","Inorganic frameworks of low-dimensional perovskites dictate the performance and stability of mixed-dimensional perovskite solar cells.","Materials horizons","2023","10","2","536","546","10.1039/d2mh00868h","","","0.71073","MoKα","","0.0826","0.0451","","","0.0861","0.1017","","","","","","1.009","","","","has coordinates","281622","2023-03-04","18:50:42","" "1567891","8.1205","0.0004","9.2677","0.0004","19.9344","0.0008","90","","90","","90","","1500.23","0.12","253","2","253","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H12 I3 N Pb -","- C8 H12 I3 N Pb -","- C32 H48 I12 N4 Pb4 -","4","0.5","","Febriansyah, Benny; Li, Yongxin; Giovanni, David; Salim, Teddy; Hooper, Thomas J. N.; Sim, Ying; Ma, Daphne; Laxmi, Shoba; Lekina, Yulia; Koh, Teck Ming; Shen, Ze Xiang; Pullarkat, Sumod A.; Sum, Tze Chien; Mhaisalkar, Subodh G.; Ager, Joel W.; Mathews, Nripan","Inorganic frameworks of low-dimensional perovskites dictate the performance and stability of mixed-dimensional perovskite solar cells.","Materials horizons","2023","10","2","536","546","10.1039/d2mh00868h","","","0.71073","MoKα","","0.0667","0.0505","","","0.1208","0.1347","","","","","","1.096","","","","has coordinates","281622","2023-03-04","18:50:42","" "1567892","8.703","0.003","8.698","0.003","17.123","0.007","92.942","0.014","101.643","0.013","90.504","0.013","1267.6","0.8","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 I4 N2 O2 Pb -","- C16 H24 I4 N2 O2 Pb -","- C32 H48 I8 N4 O4 Pb2 -","2","1","","Febriansyah, Benny; Li, Yongxin; Giovanni, David; Salim, Teddy; Hooper, Thomas J. N.; Sim, Ying; Ma, Daphne; Laxmi, Shoba; Lekina, Yulia; Koh, Teck Ming; Shen, Ze Xiang; Pullarkat, Sumod A.; Sum, Tze Chien; Mhaisalkar, Subodh G.; Ager, Joel W.; Mathews, Nripan","Inorganic frameworks of low-dimensional perovskites dictate the performance and stability of mixed-dimensional perovskite solar cells.","Materials horizons","2023","10","2","536","546","10.1039/d2mh00868h","","x-ray","0.71073","MoKα","","0.0777","0.0487","","","0.106","0.1178","","","","","","1.059","","","","has coordinates,has disorder","281622","2023-03-04","18:50:42","" "1567989","12.4827","0.0002","16.0047","0.0003","4.74526","0.00007","90","","90","","90","","948.02","0.03","298","2","298","","100","","100","","","","Drexel University","4","P 21 21 21","P 2ac 2ab","19","GAG","Gly-Ala-Gly","","- C7 H13 N3 O4 -","- C7 H13 N3 O4 -","- C28 H52 N12 O16 -","4","1","","Thursch, Lavenia J.; Lima, Thamires A.; O'Neill, Nichole; Ferreira, Fabio F.; Schweitzer-Stenner, Reinhard; Alvarez, Nicolas J.","Influence of central sidechain on self-assembly of glycine-x-glycine peptides.","Soft matter","2023","19","3","394","409","10.1039/d2sm01082h","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.00813","1.395","","","","","","","has coordinates","281617","2023-03-04","18:49:54","" "1567990","17.1256","0.0002","12.9078","0.0002","4.75585","0.00007","90","","90","","90","","1051.3","0.03","298","2","298","","100","","100","","","","Drexel University","4","P 21 21 21","P 2ac 2ab","19","GDG","Gly-asp-Gly","","- C8 H13 N3 O6 -","- C8 H13 N3 O6 -","- C32 H52 N12 O24 -","4","1","","Thursch, Lavenia J.; Lima, Thamires A.; O'Neill, Nichole; Ferreira, Fabio F.; Schweitzer-Stenner, Reinhard; Alvarez, Nicolas J.","Influence of central sidechain on self-assembly of glycine-x-glycine peptides.","Soft matter","2023","19","3","394","409","10.1039/d2sm01082h","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.01072","1.343","","","","","","","has coordinates","281617","2023-03-04","18:49:55","" "1567991","11.7071","0.0007","4.7121","0.0002","12.4111","0.0008","90","","104.951","0.006","90","","661.48","0.07","298","2","298","","100","","100","","","","Drexel University","4","P 1 21 1","P 2yb","4","GHG","Gly-Ala-Gly","Gly-His-Gly","- C10 H17 N5 O5 -","- C10 H17 N5 O5 -","- C20 H34 N10 O10 -","2","1","","Thursch, Lavenia J.; Lima, Thamires A.; O'Neill, Nichole; Ferreira, Fabio F.; Schweitzer-Stenner, Reinhard; Alvarez, Nicolas J.","Influence of central sidechain on self-assembly of glycine-x-glycine peptides.","Soft matter","2023","19","3","394","409","10.1039/d2sm01082h","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.02067","2.376","","","","","","","has coordinates","281617","2023-03-04","18:49:55","" "1567992","4.89638","0.00018","9.6784","0.0003","28.5374","0.0009","90","","90","","90","","1352.36","0.08","298","2","298","","100","","100","","","","Drexel University","4","P 21 21 21","P 2ac 2ab","19","GYG","Gly-Ala-Gly","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C52 H68 N12 O20 -","4","1","","Thursch, Lavenia J.; Lima, Thamires A.; O'Neill, Nichole; Ferreira, Fabio F.; Schweitzer-Stenner, Reinhard; Alvarez, Nicolas J.","Influence of central sidechain on self-assembly of glycine-x-glycine peptides.","Soft matter","2023","19","3","394","409","10.1039/d2sm01082h","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.01057","2.099","","","","","","","has coordinates","281617","2023-03-04","18:49:55","" "1567995","10.862","0.002","19.566","0.004","12.2","0.002","90","","111.654","0.01","90","","2409.8","0.8","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","compound [RhCl(L1)(P(Ad)2(n-Bu))]","","- C45 H61 Cl4 N O3 P Rh -","- C45 H61 Cl4 N O3 P Rh -","- C90 H122 Cl8 N2 O6 P2 Rh2 -","2","1","","Rieg, Carolin; Kirchhof, Manuel; Gugeler, Katrin; Beurer, Ann-Katrin; Stein, Lukas; Dirnberger, Klaus; Frey, Wolfgang; Bruckner, Johanna R.; Traa, Yvonne; Kästner, Johannes; Ludwigs, Sabine; Laschat, Sabine; Dyballa, Michael","Determination of accessibility and spatial distribution of chiral Rh diene complexes immobilized on SBA-15 via phosphine-based solid-state NMR probe molecules","Catalysis Science & Technology","2023","13","2","410","425","10.1039/D2CY01578A","","","0.71073","MoKα","","0.0575","0.0457","","","0.1091","0.1155","","","","","","1.041","","","","has coordinates,has disorder","281310","2023-03-04","17:35:18","" "1567999","19.568","0.004","10.61","0.004","30.314","0.006","90","","90","","90","","6294","3","213","2","293","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C20 H30 Cu3 N6 Na O4 S6 -","- C20 H30 Cu3 N6 Na O4 S6 -","- C160 H240 Cu24 N48 Na8 O32 S48 -","8","0.5","","Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper","Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.","Chemical science","2023","14","2","266","276","10.1039/d2sc05201f","","","0.71073","MoKα","","0.0416","0.0318","","","0.0722","0.0747","","","","","","1.443","","","","has coordinates","283159","2023-05-05","01:02:33","" "1568000","9.7142","0.0007","18.2617","0.0016","13.1518","0.0012","90","","97.378","0.003","90","","2313.8","0.3","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N2 Ni O4 Pd S4 -","- C18 H22 N2 Ni O4 Pd S4 -","- C72 H88 N8 Ni4 O16 Pd4 S16 -","4","0.5","","Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper","Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.","Chemical science","2023","14","2","266","276","10.1039/d2sc05201f","","","0.71073","MoKα","","0.0546","0.0321","","","0.0546","0.0598","","","","","","1.021","","","","has coordinates","283159","2023-05-05","01:02:34","" "1568001","9.7593","0.0007","18.2739","0.0012","13.1854","0.0008","90","","97.317","0.002","90","","2332.3","0.3","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Co N2 O4 Pd S4 -","- C18 H22 Co N2 O4 Pd S4 -","- C72 H88 Co4 N8 O16 Pd4 S16 -","4","0.5","","Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper","Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.","Chemical science","2023","14","2","266","276","10.1039/d2sc05201f","","","0.71073","MoKα","","0.0431","0.0287","","","0.0514","0.0555","","","","","","1.029","","","","has coordinates","283159","2023-05-05","01:02:34","" "1568002","8.4782","0.0004","12.2733","0.0005","19.6523","0.0008","90","","93.668","0.002","90","","2040.74","0.15","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 Ni O6 Pt S4 -","- C13 H16 N2 Ni O6 Pt S4 -","- C52 H64 N8 Ni4 O24 Pt4 S16 -","4","1","","Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper","Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.","Chemical science","2023","14","2","266","276","10.1039/d2sc05201f","","","0.71073","MoKα","","0.0465","0.0318","","","0.0637","0.0686","","","","","","1.016","","","","has coordinates","283159","2023-05-05","01:02:34","" "1568003","8.4707","0.001","12.2809","0.0013","19.82","0.002","90","","93.914","0.004","90","","2057","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Co N2 O6 Pt S4 -","- C13 H16 Co N2 O6 Pt S4 -","- C52 H64 Co4 N8 O24 Pt4 S16 -","4","1","","Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper","Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.","Chemical science","2023","14","2","266","276","10.1039/d2sc05201f","","","0.71073","MoKα","","0.033","0.0226","","","0.0391","0.0417","","","","","","1.037","","","","has coordinates","283159","2023-05-05","01:02:34","" "1568004","8.4637","0.0004","12.3085","0.0007","19.8273","0.0011","90","","93.171","0.002","90","","2062.36","0.19","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Co N2 O6 Pd S4 -","- C13 H16 Co N2 O6 Pd S4 -","- C52 H64 Co4 N8 O24 Pd4 S16 -","4","1","","Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper","Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.","Chemical science","2023","14","2","266","276","10.1039/d2sc05201f","","","0.71073","MoKα","","0.043","0.0325","","","0.0693","0.0747","","","","","","1.069","","","","has coordinates","283159","2023-05-05","01:02:34","" "1568005","10.4208","0.0009","10.7638","0.0009","11.9994","0.001","99.167","0.002","94.905","0.002","94.346","0.002","1318.41","0.19","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H27 O2 P -","- C37 H27 O2 P -","- C74 H54 O4 P2 -","2","1","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","","0.71073","MoKα","","0.0968","0.0572","","","0.1114","0.1248","","","","","","1.031","","","","has coordinates","282621","2023-04-13","12:20:28","" "1568006","9.0075","0.0006","15.4256","0.0007","20.8849","0.0016","90","","93.52","0.002","90","","2896.4","0.3","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H29 B F4.03 N P -","- C38 H29 B F3.949 N P -","- C152 H116 B4 F15.796 N4 P4 -","4","1","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","","0.71073","MoKα","","0.1432","0.0619","","","0.1245","0.1543","","","","","","1.01","","","","has coordinates,has disorder","282621","2023-04-13","12:20:29","" "1568007","10.796","0.002","12.644","0.003","12.984","0.003","86.86","0.03","86.71","0.03","79.67","0.03","1739","0.7","110","","110","","","","","","","","","8","P -1","-P 1","2","","","","- C39 H31 Au B Cl3 F4 N P -","- C39 H31 Au B Cl3 F4 N P -","- C78 H62 Au2 B2 Cl6 F8 N2 P2 -","2","1","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","","0.71073","MoKα","","0.0596","0.0419","","","0.0802","0.0858","","","","","","1.021","","","","has coordinates","282621","2023-04-13","12:20:29","" "1568008","8.73","0.0005","13.2735","0.0007","14.5419","0.0008","80.962","0.002","75.294","0.001","80.841","0.002","1597.04","0.15","110","","110","","","","","","","","","9","P -1","-P 1","2","","","","- C34 H25 Au Cl F3 N O4 P S -","- C34 H25 Au Cl F3 N O4 P S -","- C68 H50 Au2 Cl2 F6 N2 O8 P2 S2 -","2","1","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","","0.71073","MoKα","","0.0186","0.017","","","0.0404","0.0412","","","","","","1.043","","","","has coordinates,has disorder","282621","2023-04-13","12:20:29","" "1568009","8.0558","0.0004","13.0237","0.0006","13.3743","0.0006","89.998","0.001","86.084","0.001","84.721","0.001","1393.94","0.11","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H26 B F4 O P -","- C37 H26 B F4 O P -","- C74 H52 B2 F8 O2 P2 -","2","1","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","","0.71073","MoKα","","0.0734","0.0592","","","0.1518","0.1621","","","","","","1.078","","","","has coordinates","282621","2023-04-13","12:20:29","" "1568010","10.4379","0.0003","12.0326","0.0004","12.5622","0.0004","79.075","0.001","70.549","0.001","74.216","0.001","1423.07","0.08","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H26 Au B Cl O P -","- C36 H26 Au B Cl O P -","- C72 H52 Au2 B2 Cl2 O2 P2 -","2","1","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","x-ray","0.71073","MoKα","","0.0153","0.014","","","0.0326","0.033","","","","","","1.09","","","","has coordinates","282621","2023-04-13","12:20:29","" "1568011","31.863","0.004","9.1593","0.0011","25.398","0.004","90","","113.066","0.007","90","","6819.6","1.6","110","","110","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C77 H56 Au2 Cl4 F6 O9 P2 S2 -","- C77 H56 Au2 Cl4 F6 O9 P2 S2 -","- C308 H224 Au8 Cl16 F24 O36 P8 S8 -","4","0.5","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","","0.71073","MoKα","","0.0725","0.0406","","","0.0806","0.0941","","","","","","1.033","","","","has coordinates,has disorder","282621","2023-04-13","12:20:29","" "1568016","14.6467","0.0011","14.7349","0.0012","18.2076","0.0014","90","","90","","90","","3929.5","0.5","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22.31 H21.62 Cl0.62 N3 O2 -","- C22.3114 H21.6228 Cl0.6228 N3 O2 -","- C178.491 H172.982 Cl4.9824 N24 O16 -","8","2","","Luo, Mu-Peng; Gu, Yi-Jie; Wang, Shou-Guo","Photocatalytic enantioselective Minisci reaction of β-carbolines and application to natural product synthesis.","Chemical science","2023","14","2","251","256","10.1039/d2sc05313f","","x-ray","1.34138","GaKα","","0.0385","0.0364","","","0.1036","0.1048","","","","","","1.045","","","","has coordinates,has disorder","281364","2023-03-04","17:54:17","" "1568017","15.8351","0.0015","23.18","0.002","17.8789","0.0018","90","","103.973","0.004","90","","6368.4","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H70 Br2 Cl2 N2 Ni -","- C77 H70 Br2 Cl2 N2 Ni -","- C308 H280 Br8 Cl8 N8 Ni4 -","4","1","","Yan, Zhengpeng; Chang, Guanru; Zou, Wenping; Luo, Gen; Dai, Shengyu","Synthesis of lightly branched ultrahigh-molecular-weight polyethylene using cationic benzocyclohexyl nickel catalysts","Polymer Chemistry","2023","14","2","183","190","10.1039/D2PY01087A","","","0.71073","MoKα","","0.1312","0.0503","","","0.0757","0.0843","","","","","","1.067","","","","has coordinates","281609","2023-03-04","18:47:36","" "1568018","7.4068","0.0013","44.744","0.008","8.8243","0.0017","90","","94.435","0.007","90","","2915.7","0.9","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H53 N2 O3 -","- C31 H53 N2 O3 -","- C124 H212 N8 O12 -","4","1","","Houard, Felix; Cucinotta, Guiseppe; Guizouarn, Thierry; Suffren, Yan; Calvez, Guillaume; Daiguebonne, Carole; Guillou, Olivier; Artzner, Franck; Mannini, Matteo; Bernot, Kevin","Metallogels: a novel approach for the nanostructuration of single-chain magnets.","Materials horizons","2023","10","2","547","555","10.1039/d2mh01158a","","x-ray","0.71073","MoKα","","0.1548","0.124","","","0.3323","0.3456","","","","","","1.079","","","","has coordinates","281621","2023-03-04","18:50:30","" "1568021","17.5318","0.0003","17.5318","0.0003","17.5318","0.0003","90","","90","","90","","5388.64","0.16","293","2","293.15","","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","","- C120 H96 Cu6 F36 N32 Si6 -","- C120 H96 Cu6 F36 N32 Si6 -","- C120 H96 Cu6 F36 N32 Si6 -","1","0.0208333","","Jiang, Yunjia; Wang, Lingyao; Yan, Tongan; Hu, Jianbo; Sun, Wanqi; Krishna, Rajamani; Wang, Dongmei; Gu, Zonglin; Liu, Dahuan; Cui, Xili; Xing, Huabin; Zhang, Yuanbin","Insights into the thermodynamic-kinetic synergistic separation of propyne/propylene in anion pillared cage MOFs with entropy-enthalpy balanced adsorption sites.","Chemical science","2023","14","2","298","309","10.1039/d2sc05742e","","","0.71073","MoKα","","0.0632","0.053","","","0.1725","0.1813","","","","","","1.133","","","","has coordinates,has disorder","281365","2023-03-04","17:55:04","" "1568022","17.5254","0.0005","17.5254","0.0005","17.5254","0.0005","90","","90","","90","","5382.7","0.3","100","2","100","","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","","- C32 H32 Cu F6 N5.33 Si -","- C32 H32 Cu F6 N5.33333 Si -","- C192 H192 Cu6 F36 N32 Si6 -","6","0.125","","Jiang, Yunjia; Wang, Lingyao; Yan, Tongan; Hu, Jianbo; Sun, Wanqi; Krishna, Rajamani; Wang, Dongmei; Gu, Zonglin; Liu, Dahuan; Cui, Xili; Xing, Huabin; Zhang, Yuanbin","Insights into the thermodynamic-kinetic synergistic separation of propyne/propylene in anion pillared cage MOFs with entropy-enthalpy balanced adsorption sites.","Chemical science","2023","14","2","298","309","10.1039/d2sc05742e","","","1.54178","CuKα","","0.0523","0.0514","","","0.1982","0.1993","","","","","","1.19","","","","has coordinates,has disorder","281365","2023-03-04","17:55:04","" "1568023","17.4998","0.0005","17.4998","0.0005","17.4998","0.0005","90","","90","","90","","5359.2","0.3","101","2","101","","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","","- C29 H34 Cu F6 N5.33 Si -","- C29 H34 Cu F6 N5.33333 Si -","- C174 H204 Cu6 F36 N32 Si6 -","6","0.125","","Jiang, Yunjia; Wang, Lingyao; Yan, Tongan; Hu, Jianbo; Sun, Wanqi; Krishna, Rajamani; Wang, Dongmei; Gu, Zonglin; Liu, Dahuan; Cui, Xili; Xing, Huabin; Zhang, Yuanbin","Insights into the thermodynamic-kinetic synergistic separation of propyne/propylene in anion pillared cage MOFs with entropy-enthalpy balanced adsorption sites.","Chemical science","2023","14","2","298","309","10.1039/d2sc05742e","","","0.71073","MoKα","","0.1082","0.0926","","","0.2925","0.3134","","","","","","1.106","","","","has coordinates,has disorder","281365","2023-03-04","17:55:04","" "1568024","17.5051","0.0003","17.5051","0.0003","17.5051","0.0003","90","","90","","90","","5364.06","0.16","102","2","102","","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","","- C20 H16 Cu F6 N5.33 Si -","- C20 H16 Cu F6 N5.33333 Si -","- C120 H96 Cu6 F36 N32 Si6 -","6","0.125","","Jiang, Yunjia; Wang, Lingyao; Yan, Tongan; Hu, Jianbo; Sun, Wanqi; Krishna, Rajamani; Wang, Dongmei; Gu, Zonglin; Liu, Dahuan; Cui, Xili; Xing, Huabin; Zhang, Yuanbin","Insights into the thermodynamic-kinetic synergistic separation of propyne/propylene in anion pillared cage MOFs with entropy-enthalpy balanced adsorption sites.","Chemical science","2023","14","2","298","309","10.1039/d2sc05742e","","","0.71073","MoKα","","0.0457","0.0362","","","0.111","0.1174","","","","","","1.24","","","","has coordinates,has disorder","281365","2023-03-04","17:55:04","" "1568025","21.815","0.002","24.526","0.003","8.429","0.002","90","","95.275","0.003","90","","4490.7","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C59 H51 N5 O4 -","- C59 H51 N5 O4 -","- C236 H204 N20 O16 -","4","1","","Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank","Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular SNAr reaction.","Chemical science","2023","14","2","284","290","10.1039/d2sc05409d","","","0.61992","synchrotron","","0.0647","0.0536","","","0.1517","0.1642","","","","","","1.088","","","","has coordinates","283161","2023-05-05","01:03:25","" "1568026","8.3457","0.0003","9.3455","0.0003","17.6411","0.0006","95.16","0.002","99.293","0.002","115.715","0.002","1203.41","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C60 H52 N4 O4 -","- C60 H52 N4 O4 -","- C60 H52 N4 O4 -","1","1","","Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank","Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular SNAr reaction.","Chemical science","2023","14","2","284","290","10.1039/d2sc05409d","","","1.54178","CuKα","","0.0796","0.0684","","","0.1687","0.1819","","","","","","1.055","","","","has coordinates","283161","2023-05-05","01:03:29","" "1568027","8.2004","0.0005","31.668","0.002","10.204","0.0007","90","","99.25","0.003","90","","2615.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 N2 O2 -","- C36 H28 N2 O2 -","- C144 H112 N8 O8 -","4","1","","Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank","Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular SNAr reaction.","Chemical science","2023","14","2","284","290","10.1039/d2sc05409d","","","1.54178","CuKα","","0.1092","0.0981","","","0.2526","0.2588","","","","","","1.152","","","","has coordinates","283161","2023-05-05","01:03:36","" "1568028","16.7768","0.0015","17.5515","0.0016","17.6585","0.0016","104.872","0.006","90.047","0.005","109.465","0.006","4717","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H52 N4 O4 -","- C60 H52 N4 O4 -","- C240 H208 N16 O16 -","4","2","","Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank","Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular SNAr reaction.","Chemical science","2023","14","2","284","290","10.1039/d2sc05409d","","","1.54178","CuKα","","0.2027","0.1799","","","0.4843","0.4979","","","","","","1.059","","","","has coordinates","283161","2023-05-05","01:03:47","" "1568029","8.202","0.009","14.428","0.005","24.669","0.01","90.012","0.004","85.889","0.011","90.023","0.014","2912","4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H65 N3 O4 -","- C79 H65 N3 O4 -","- C158 H130 N6 O8 -","2","1","","Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank","Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular SNAr reaction.","Chemical science","2023","14","2","284","290","10.1039/d2sc05409d","","","0.61991","synchrotron","","0.2304","0.1799","","","0.5023","0.542","","","","","","1.04","","","","has coordinates,has disorder","283161","2023-05-05","01:03:47","" "1568030","16.958","0.0011","17.1701","0.0011","17.8837","0.0011","104.311","0.002","109.776","0.002","90.172","0.002","4726.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H53 N3 O4 -","- C61 H53 N3 O4 -","- C244 H212 N12 O16 -","4","2","","Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank","Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular SNAr reaction.","Chemical science","2023","14","2","284","290","10.1039/d2sc05409d","","","1.54178","CuKα","","0.0752","0.0725","","","0.1982","0.1998","","","","","","1.061","","","","has coordinates,has disorder","283161","2023-05-05","01:03:47","" "1568031","16.9139","0.0013","14.088","0.0011","17.1758","0.0014","90","","99.958","0.002","90","","4031","0.6","150","2","150.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H44 Cl2 N7 O10 Sm -","- C37 H44 Cl2 N7 O10 Sm -","- C148 H176 Cl8 N28 O40 Sm4 -","4","1","","Zhang, Chengjian; Li, Sichen; Zheng, Ruijie; Tai, Shengdi; Yang, Kang; Zhang, Kun","Highly selective and discriminative detection of small alcohols based on a dual-emission macrocyclic samarium complex.","Analytical methods : advancing methods and applications","2023","15","3","361","367","10.1039/d2ay01591a","","","0.71073","MoKα","","0.0605","0.0358","","","0.0673","0.076","","","","","","1.047","","","","has coordinates","281308","2023-03-04","17:34:59","" "1568032","29.0838","0.0011","16.4902","0.0008","38.9836","0.0011","90","","94.942","0.003","90","","18626.9","1.3","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H80 F6 N4 O4 P5 Re2 -","- C84 H80 F6 N4 O4 P5 Re2 -","- C672 H640 F48 N32 O32 P40 Re16 -","8","1","","Takahashi, Maria; Asatani, Tsuyoshi; Morimoto, Tatsuki; Kamakura, Yoshinobu; Fujii, Kotaro; Yashima, Masatomo; Hosokawa, Naoki; Tamaki, Yusuke; Ishitani, Osamu","Supramolecular multi-electron redox photosensitisers comprising a ring-shaped Re(i) tetranuclear complex and a polyoxometalate.","Chemical science","2023","14","3","691","704","10.1039/d2sc04252e","","","0.71073","MoKα","","0.141","0.0894","","","0.247","0.2719","","","","","","1.073","","","","has coordinates","281401","2023-03-04","18:06:45","" "1568033","18.8254","0.0003","23.1045","0.0003","33.0343","0.0004","101.307","0.001","101.064","0.001","112.648","0.001","12422.4","0.3","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C168 H160 N8 O48 P8 Re4 Si W12 -","- C168 H160 N8 O48 P8 Re4 Si W12 -","- C336 H320 N16 O96 P16 Re8 Si2 W24 -","2","1","","Takahashi, Maria; Asatani, Tsuyoshi; Morimoto, Tatsuki; Kamakura, Yoshinobu; Fujii, Kotaro; Yashima, Masatomo; Hosokawa, Naoki; Tamaki, Yusuke; Ishitani, Osamu","Supramolecular multi-electron redox photosensitisers comprising a ring-shaped Re(i) tetranuclear complex and a polyoxometalate.","Chemical science","2023","14","3","691","704","10.1039/d2sc04252e","","","0.71073","MoKα","","0.0629","0.0498","","","0.1463","0.1533","","","","","","1.08","","","","has coordinates","281401","2023-03-04","18:06:45","" "1568041","7.6531","0.0005","10.1518","0.0007","18.1461","0.0013","90","","90","","90","","1409.82","0.17","219","","219","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O3 S -","- C16 H14 O3 S -","- C64 H56 O12 S4 -","4","1","","Kong, Lingheng; Zou, Yun; Li, Xiao-Xi; Zhang, Xue-Peng; Li, Xingwei","Rhodium-catalyzed enantioselective C-H alkynylation of sulfoxides in diverse patterns: desymmetrization, kinetic resolution, and parallel kinetic resolution.","Chemical science","2023","14","2","317","322","10.1039/d2sc05310a","","","1.54178","CuKα","","0.0242","0.0233","","","0.0611","0.0617","","","","","","1.091","","","","has coordinates","281366","2023-03-04","17:55:12","" "1568042","7.6856","0.0003","10.0965","0.0004","18.0404","0.0008","90","","90","","90","","1399.89","0.1","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","1","","Kong, Lingheng; Zou, Yun; Li, Xiao-Xi; Zhang, Xue-Peng; Li, Xingwei","Rhodium-catalyzed enantioselective C-H alkynylation of sulfoxides in diverse patterns: desymmetrization, kinetic resolution, and parallel kinetic resolution.","Chemical science","2023","14","2","317","322","10.1039/d2sc05310a","","","0.71073","MoKα","","0.0358","0.0342","","","0.0863","0.0877","","","","","","1.076","","","","has coordinates","281366","2023-03-04","17:55:12","" "1568044","11.4709","0.0016","9.6054","0.0015","10.811","0.002","90","","90","","90","","1191.2","0.3","193","","193","","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C15 H12 B3 N3 O3 -","- C15 H12 B3 N3 O3 -","- C30 H24 B6 N6 O6 -","2","0.25","","Wang, Weize; Wang, Linxia; Du, Fei; Wang, Gang-Ding; Hou, Lei; Zhu, Zhonghua; Liu, Bo; Wang, Yao-Yu","Dative B←N bonds based crystalline organic framework with permanent porosity for acetylene storage and separation.","Chemical science","2023","14","3","533","539","10.1039/d2sc06016g","","","0.71073","MoKα","","0.113","0.0689","","","0.1892","0.2157","","","","","","1.041","","","","has coordinates","281398","2023-03-04","18:05:31","" "1568045","10.6821","0.0002","12.0842","0.0001","17.057","0.0002","93.142","0.001","105.229","0.001","97.685","0.001","2096.06","0.05","100.2","0.5","100.2","0.5","","","","","","","","3","P 1","P 1","1","","","","- C51 H58 O5 -","- C51 H58 O5 -","- C102 H116 O10 -","2","2","","Zhang, Xin; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Inherently chiral calixarenes by a catalytic enantioselective desymmetrizing cross-dehydrogenative coupling.","Chemical science","2023","14","4","827","832","10.1039/d2sc06234h","","x-ray","1.54184","CuKα","","0.063","0.0541","","","0.1401","0.1667","","","","","","1.085","","","","has coordinates,has disorder","281363","2023-03-04","17:54:07","" "1568046","9.359","0.0001","12.7052","0.0001","18.7749","0.0001","80.266","0.001","79.829","0.001","76.85","0.001","2120.34","0.03","172.99","0.1","172.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C51 H56 O5 -","- C51 H56 O5 -","- C102 H112 O10 -","2","1","","Zhang, Xin; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Inherently chiral calixarenes by a catalytic enantioselective desymmetrizing cross-dehydrogenative coupling.","Chemical science","2023","14","4","827","832","10.1039/d2sc06234h","","x-ray","1.54184","CuKα","","0.0683","0.062","","","0.1623","0.1663","","","","","","1.078","","","","has coordinates,has disorder","281363","2023-03-04","17:54:07","" "1568047","17.8746","0.0012","9.0854","0.0005","18.3865","0.0012","90","","90","","90","","2985.9","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","[Hf(Cp'')2Cl2]","","- C22 H42 Cl2 Hf Si4 -","- C22 H42 Cl2 Hf Si4 -","- C88 H168 Cl8 Hf4 Si16 -","4","0.5","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","0.71073","MoKα","","0.0964","0.0533","","","0.1095","0.1303","","","","","","1.064","","","","has coordinates","283191","2023-05-05","01:14:10","" "1568048","10.7367","0.0003","11.5169","0.0003","13.3589","0.0004","73.257","0.003","83.329","0.002","78.423","0.002","1546.66","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","[{Nd(Cp'')2(uI)}2]","","- C44 H84 I2 Nd2 Si8 -","- C44 H84 I2 Nd2 Si8 -","- C44 H84 I2 Nd2 Si8 -","1","0.5","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","1.54184","CuKα","","0.0391","0.0374","","","0.098","0.0993","","","","","","1.058","","","","has coordinates","283191","2023-05-05","01:14:10","" "1568049","10.2297","0.0002","23.3116","0.0004","18.6778","0.0004","90","","101.213","0.002","90","","4369.08","0.15","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","[Ti(Cp'')2{Si(SiMe3)3}]","","- C31 H69 Si8 Ti -","- C31 H69 Si8 Ti -","- C124 H276 Si32 Ti4 -","4","1","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","0.71073","MoKα","","0.031","0.0279","","","0.0696","0.0708","","","","","","1.033","","","","has coordinates","283191","2023-05-05","01:14:10","" "1568050","17.9162","0.001","13.3218","0.0007","20.3331","0.0016","90","","111.465","0.008","90","","4516.4","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[La(C5H3(1,3-SiMe))2{Si(SiMe3)3}]","","- C31 H69 La Si8 -","- C31 H69 La Si8 -","- C124 H276 La4 Si32 -","4","1","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","0.71073","MoKα","","0.0802","0.0604","","","0.1375","0.1479","","","","","","1.135","","","","has coordinates,has disorder","283191","2023-05-05","01:14:10","" "1568051","10.6833","0.0004","11.4914","0.0004","13.2297","0.0005","73.117","0.004","83.273","0.003","78.875","0.004","1521.72","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[U(C5H3(1,3-SiMe3))2(I)]2","","- C44 H84 I2 Si8 U2 -","- C44 H84 I2 Si8 U2 -","- C44 H84 I2 Si8 U2 -","1","0.5","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","1.54184","CuKα","","0.0454","0.0441","","","0.114","0.1151","","","","","","1.035","","","","has coordinates","283191","2023-05-05","01:14:10","" "1568052","17.8079","0.0006","13.2758","0.0003","20.3529","0.0006","90","","111.045","0.003","90","","4490.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[Ce(C5H3-1,3-SiMe3)2{Si(SiMe3)3}]","","- C31 H69 Ce Si8 -","- C31 H69 Ce Si8 -","- C124 H276 Ce4 Si32 -","4","1","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","1.54184","CuKα","","0.0712","0.0679","","","0.1921","0.1936","","","","","","1.103","","","","has coordinates,has disorder","283191","2023-05-05","01:14:10","" "1568053","37.0378","0.0004","11.7708","0.0001","20.1996","0.0003","90","","90","","90","","8806.31","0.18","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","[Zr(Cp'')2{Si(SiMe3)3}]","","- C31 H69 Si8 Zr -","- C31 H69 Si8 Zr -","- C248 H552 Si64 Zr8 -","8","2","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","1.54184","CuKα","","0.0425","0.0398","","","0.1029","0.1045","","","","","","1.045","","","","has coordinates","283191","2023-05-05","01:14:10","" "1568054","17.9833","0.0008","13.2292","0.0005","20.4047","0.0013","90","","111.407","0.006","90","","4519.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[U(Cp'')2{Si(SiMe3)3}]","","- C31 H69 Si8 U -","- C31 H69 Si8 U -","- C124 H276 Si32 U4 -","4","1","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","1.54184","CuKα","","0.0621","0.0503","","","0.1228","0.1288","","","","","","1.041","","","","has coordinates,has disorder","283191","2023-05-05","01:14:10","" "1568055","17.7679","0.0005","13.2234","0.0003","20.37","0.0006","90","","110.891","0.003","90","","4471.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[Nd(Cp'')2{Si(SiMe3)3}]","","- C31 H69 Nd Si8 -","- C31 H69 Nd Si8 -","- C124 H276 Nd4 Si32 -","4","1","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","1.54184","CuKα","","0.0704","0.068","","","0.2133","0.2147","","","","","","1.119","","","","has coordinates,has disorder","283191","2023-05-05","01:14:10","" "1568056","20.1187","0.0009","16.7884","0.0009","8.3834","0.0003","90","","102.468","0.004","90","","2764.8","0.2","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 N2 O2 -","- C18 H15 N2 O2 -","- C144 H120 N16 O16 -","8","1","","Tajima, Keita; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi","Diazazethrene bisimide: a strongly electron-accepting π-system synthesized via the incorporation of both imide substituents and imine-type nitrogen atoms into zethrene.","Chemical science","2023","14","3","635","642","10.1039/d2sc05992d","","","0.71073","MoKα","","0.0972","0.0541","","","0.1329","0.1605","","","","","","1.052","","","","has coordinates,has disorder","281394","2023-03-04","18:03:04","" "1568057","8.0994","0.0003","11.7159","0.0008","21.0793","0.0012","102.21","0.005","97.445","0.004","96.128","0.004","1919.86","0.19","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H34 Cl2 N4 O4 -","- C50 H34 Cl2 N4 O4 -","- C100 H68 Cl4 N8 O8 -","2","1","","Tajima, Keita; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi","Diazazethrene bisimide: a strongly electron-accepting π-system synthesized via the incorporation of both imide substituents and imine-type nitrogen atoms into zethrene.","Chemical science","2023","14","3","635","642","10.1039/d2sc05992d","","","0.71073","MoKα","","0.1216","0.084","","","0.2193","0.2513","","","","","","1.035","","","","has coordinates,has disorder","281394","2023-03-04","18:03:04","" "1568058","9.5098","0.0002","20.5556","0.0003","15.4387","0.0002","90","","95.024","0.002","90","","3006.36","0.09","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 Co N2 O2 -","- C39 H33 Co N2 O2 -","- C156 H132 Co4 N8 O8 -","4","1","","Tajima, Keita; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi","Diazazethrene bisimide: a strongly electron-accepting π-system synthesized via the incorporation of both imide substituents and imine-type nitrogen atoms into zethrene.","Chemical science","2023","14","3","635","642","10.1039/d2sc05992d","","","0.71073","MoKα","","0.0761","0.0685","","","0.1925","0.2028","","","","","","1.033","","","","has coordinates,has disorder","281394","2023-03-04","18:03:04","" "1568059","34.9018","0.0013","59.974","0.003","7.6088","0.0003","90","","90","","90","","15926.7","1.2","93","2","93","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C52 H49 N4 O4 -","- C52 H49 N4 O4 -","- C832 H784 N64 O64 -","16","1","","Tajima, Keita; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi","Diazazethrene bisimide: a strongly electron-accepting π-system synthesized via the incorporation of both imide substituents and imine-type nitrogen atoms into zethrene.","Chemical science","2023","14","3","635","642","10.1039/d2sc05992d","","","0.71073","MoKα","","0.1163","0.0706","","","0.1505","0.1863","","","","","","1.015","","","","has coordinates,has disorder","281394","2023-03-04","18:03:04","" "1568061","8.7151","0.0003","9.8582","0.0003","14.979","0.0004","109.017","0.001","94.596","0.001","107.711","0.001","1135.83","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Sorazolon E2","1,1',2,2'-Tetramethyl-9H,9'H-[4,4'-bicarbazole]-3,3'-diol","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C58 H56 N4 O6 -","2","1","","Schuh, Tristan; Kataeva, Olga; Knölker, Hans-Joachim","μ-Oxo-bis[(octacosafluoro-meso-tetraphenylporphyrinato)iron(iii)] - synthesis, crystal structure, and catalytic activity in oxidation reactions.","Chemical science","2023","14","2","257","265","10.1039/d2sc06083c","","","0.71073","MoKα","","0.0641","0.0573","","","0.1551","0.1624","","","","","","1.028","","","","has coordinates","283160","2023-05-05","01:02:57","" "1568062","29.489","0.007","29.489","","20.678","0.005","90","","90","","90","","17982","6","150","2","150","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","μ-Oxo-bis[(octacosafluoro-meso-tetraphenylporphyrinato)iron(III)]","","- C88 H4 F56 Fe2 N8 O3 -","- C88 F56 Fe2 N8 O3 -","- C704 F448 Fe16 N64 O24 -","8","0.5","","Schuh, Tristan; Kataeva, Olga; Knölker, Hans-Joachim","μ-Oxo-bis[(octacosafluoro-meso-tetraphenylporphyrinato)iron(iii)] - synthesis, crystal structure, and catalytic activity in oxidation reactions.","Chemical science","2023","14","2","257","265","10.1039/d2sc06083c","","","0.71073","MoKα","","0.0656","0.0461","","","0.1364","0.1568","","","","","","1.076","","","","has coordinates","283160","2023-05-05","01:03:00","" "1568063","15.496","0.0001","15.496","0.0001","53.7557","0.0007","90","","90","","120","","11178.8","0.18","150","","150","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C55 H104 O24 Ti6 -","- C54.9999 H104 O24 Ti6 -","- C329.999 H623.999 O144 Ti36 -","6","0.333333","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti6O6(OR)6(O2C t Bu)6]: mechanism, photoactivated structures, and onward reactivity with O2 to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.54184","CuKα","","0.1274","0.1217","","0.3993","0.3932","0.394","","","","","","1.9014","","","","has coordinates,has disorder","281395","2023-03-04","18:03:45","" "1568064","13.2495","0.0003","13.414","0.0004","14.7584","0.0004","63.032","0.003","64.038","0.002","65.591","0.003","2024.99","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C30.5 H61 O13 Ti3 -","- C30.5 H61 O13 Ti3 -","- C61 H122 O26 Ti6 -","2","1","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti6O6(OR)6(O2C t Bu)6]: mechanism, photoactivated structures, and onward reactivity with O2 to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.54184","CuKα","","0.0776","0.0631","","0.1734","0.1638","0.1734","","","","","","1.007","","","","has coordinates,has disorder","281395","2023-03-04","18:03:55","" "1568065","21.4239","0.0002","15.2022","0.0002","25.1197","0.0003","90","","90","","90","","8181.25","0.16","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C31 H67.75 O11 Ti2 -","- C31 H67.75 O11 Ti2 -","- C248 H542 O88 Ti16 -","8","1","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti6O6(OR)6(O2C t Bu)6]: mechanism, photoactivated structures, and onward reactivity with O2 to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.54184","CuKα","","0.0877","0.0789","","0.2302","0.2212","0.2302","","","","","","0.987","","","","has coordinates,has disorder","281395","2023-03-04","18:04:05","" "1568066","11.4703","0.0002","12.9048","0.0002","22.7941","0.0004","84.7647","0.0014","87.1313","0.0013","76.867","0.0015","3270.58","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H96 O24 Ti6 -","- C48 H96 O24 Ti6 -","- C96 H192 O48 Ti12 -","2","1","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti6O6(OR)6(O2C t Bu)6]: mechanism, photoactivated structures, and onward reactivity with O2 to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.54184","CuKα","","0.0611","0.0556","","0.1559","0.1518","0.1559","","","","","","0.9973","","","","has coordinates,has disorder","281395","2023-03-04","18:04:15","" "1568067","14.4104","0.0003","20.6054","0.0007","24.3253","0.0006","90","","97.146","0.002","90","","7166.9","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ti6O6(OiPr)4(pyridine)(O2)(O2CCMe3)6","","- C47.57 H88.14 Cl1.14 N O24 Ti6 -","- C47.568 H88.136 Cl1.136 N O24 Ti6 -","- C190.272 H352.544 Cl4.544 N4 O96 Ti24 -","4","1","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti6O6(OR)6(O2C t Bu)6]: mechanism, photoactivated structures, and onward reactivity with O2 to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.5418","CuKα","","0.1337","0.1089","","0.2815","0.26","0.2815","","","","","","1.0047","","","","has coordinates,has disorder","281395","2023-03-04","18:04:15","" "1568068","14.5668","0.0001","24.3499","0.0001","21.7724","0.0001","90","","106.66","0.0005","90","","7398.48","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H100 N2 O22 Ti6 -","- C59 H100 N2 O22 Ti6 -","- C236 H400 N8 O88 Ti24 -","4","1","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti6O6(OR)6(O2C t Bu)6]: mechanism, photoactivated structures, and onward reactivity with O2 to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.54184","CuKα","","0.064","0.0627","","0.169","0.1679","0.169","","","","","","1.0227","","","","has coordinates","281395","2023-03-04","18:04:15","" "1568069","11.7156","0.0001","11.7156","0.0001","76.442","0.0006","90","","90","","120","","9086.4","0.13","100","","100","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H68 F N4 O13.2 S1.6 -","- C54 H67.9998 F N4 O13.1998 S1.5999 -","- C324 H407.999 F6 N24 O79.1988 S9.5994 -","6","0.333333","","Lin, Yannan; Du, Kang; Gau, Michael R.; Dmochowski, Ivan J.","Turn-on fluorescent capsule for selective fluoride detection and water purification.","Chemical science","2023","14","2","291","297","10.1039/d2sc05352g","","x-ray","1.54184","CuKα","","0.0914","0.0881","","","0.2744","0.2794","","","","","","1.05","","","","has coordinates,has disorder","281369","2023-03-04","17:56:03","" "1568070","20.7149","0.0013","18.0468","0.0008","19.5556","0.0013","90","","107.343","0.007","90","","6978.3","0.8","199.99","0.1","199.99","0.1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C48 H108 Cl12 Cu3 N6 -","- C48 H108 Cl12 Cu3 N6 -","- C192 H432 Cl48 Cu12 N24 -","4","1","","Li, Bin; Yu, Ying; Xin, Mingyang; Xu, Jialiang; Zhao, Tianzhe; Kang, Huimin; Xing, Guoxiang; Zhao, Peisheng; Zhang, Tianyong; Jiang, Shuang","Second-order nonlinear optical properties of copper-based hybrid organic-inorganic perovskites induced by chiral amines.","Nanoscale","2023","15","4","1595","1601","10.1039/d2nr05022f","","x-ray","1.54184","CuKα","","0.0743","0.064","","","0.1851","0.194","","","","","","1.097","","","","has coordinates","281489","2023-03-04","18:27:17","" "1568071","12.655","0.0003","7.1832","0.0002","13.9997","0.0003","90","","94.341","0.002","90","","1268.97","0.05","199.98","0.1","199.98","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 Cl4 Cu N2 -","- C24 H28 Cl4 Cu N2 -","- C48 H56 Cl8 Cu2 N4 -","2","1","","Li, Bin; Yu, Ying; Xin, Mingyang; Xu, Jialiang; Zhao, Tianzhe; Kang, Huimin; Xing, Guoxiang; Zhao, Peisheng; Zhang, Tianyong; Jiang, Shuang","Second-order nonlinear optical properties of copper-based hybrid organic-inorganic perovskites induced by chiral amines.","Nanoscale","2023","15","4","1595","1601","10.1039/d2nr05022f","","x-ray","0.71073","MoKα","","0.0233","0.0222","","","0.0521","0.0526","","","","","","1.04","","","","has coordinates,has disorder","281489","2023-03-04","18:27:19","" "1568072","12.6402","0.0004","7.1773","0.0002","14.0019","0.0004","90","","94.296","0.003","90","","1266.72","0.06","199.99","0.1","199.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 Cl4 Cu N2 -","- C24 H28 Cl4 Cu N2 -","- C48 H56 Cl8 Cu2 N4 -","2","1","","Li, Bin; Yu, Ying; Xin, Mingyang; Xu, Jialiang; Zhao, Tianzhe; Kang, Huimin; Xing, Guoxiang; Zhao, Peisheng; Zhang, Tianyong; Jiang, Shuang","Second-order nonlinear optical properties of copper-based hybrid organic-inorganic perovskites induced by chiral amines.","Nanoscale","2023","15","4","1595","1601","10.1039/d2nr05022f","","x-ray","0.71073","MoKα","","0.0295","0.0277","","","0.063","0.064","","","","","","1.033","","","","has coordinates","281489","2023-03-04","18:27:19","" "1568073","20.4795","0.0005","18.1694","0.0004","19.6068","0.0006","90","","107.039","0.003","90","","6975.5","0.3","200","0.1","200","0.1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C48 H108 Cl12 Cu3 N6 -","- C48 H108 Cl12 Cu3 N6 -","- C192 H432 Cl48 Cu12 N24 -","4","1","","Li, Bin; Yu, Ying; Xin, Mingyang; Xu, Jialiang; Zhao, Tianzhe; Kang, Huimin; Xing, Guoxiang; Zhao, Peisheng; Zhang, Tianyong; Jiang, Shuang","Second-order nonlinear optical properties of copper-based hybrid organic-inorganic perovskites induced by chiral amines.","Nanoscale","2023","15","4","1595","1601","10.1039/d2nr05022f","","x-ray","0.71073","MoKα","","0.055","0.0398","","","0.1078","0.1144","","","","","","1.089","","","","has coordinates,has disorder","281489","2023-03-04","18:27:19","" "1568080","16.249","0.0005","10.644","0.0003","19.0878","0.0005","90","","96.071","0.003","90","","3282.8","0.16","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H108 Mg2 O6 -","- C70 H108 Mg2 O6 -","- C140 H216 Mg4 O12 -","2","0.5","","Zhao, Xue; Ratanasak, Manussada; Kon, Kazumasa; Hasegawa, Jun-Ya; Ishihara, Kazuaki","Bulky magnesium(ii) and sodium(i) bisphenoxide catalysts for chemoselective transesterification of methyl (meth)acrylates.","Chemical science","2023","14","3","566","572","10.1039/d2sc05413b","","x-ray","0.71073","MoKα","","0.0904","0.0659","","","0.1699","0.1828","","","","","","1.044","","","","has coordinates,has disorder","281397","2023-03-04","18:05:23","" "1568081","13.2993","0.0004","14.9598","0.0004","23.1561","0.0007","90","","92.864","0.003","90","","4601.3","0.2","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H78 Na2 O6 -","- C47 H78 Na2 O6 -","- C188 H312 Na8 O24 -","4","0.5","","Zhao, Xue; Ratanasak, Manussada; Kon, Kazumasa; Hasegawa, Jun-Ya; Ishihara, Kazuaki","Bulky magnesium(ii) and sodium(i) bisphenoxide catalysts for chemoselective transesterification of methyl (meth)acrylates.","Chemical science","2023","14","3","566","572","10.1039/d2sc05413b","","x-ray","0.71073","MoKα","","0.08","0.0572","","","0.1358","0.1463","","","","","","1.016","","","","has coordinates","281397","2023-03-04","18:05:23","" "1568082","11.8219","0.0004","13.2826","0.0004","16.6908","0.0005","93.563","0.003","98.612","0.003","99.221","0.003","2547.86","0.14","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C59.5 H56 Mo N4 O -","- C59.5 H56 Mo N4 O -","- C119 H112 Mo2 N8 O2 -","2","1","","Hegg, Alexander S.; Mercado, Brandon Q.; Miller, Alexander J. M.; Holland, Patrick L.","Catalytic reduction of dinitrogen to ammonia using molybdenum porphyrin complexes.","Faraday discussions","2023","243","0","429","449","10.1039/d2fd00166g","","","1.54184","CuKα","","0.0709","0.0639","","","0.1897","0.1955","","","","","","1.057","","","","has coordinates,has disorder","286136","2023-09-05","19:55:43","" "1568083","19.8644","0.001","25.0963","0.0009","11.9054","0.0009","90","","105.033","0.007","90","","5732","0.6","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H68 Cl2 Mo N4 -","- C70 H68 Cl2 Mo N4 -","- C280 H272 Cl8 Mo4 N16 -","4","0.5","","Hegg, Alexander S.; Mercado, Brandon Q.; Miller, Alexander J. M.; Holland, Patrick L.","Catalytic reduction of dinitrogen to ammonia using molybdenum porphyrin complexes.","Faraday discussions","2023","243","0","429","449","10.1039/d2fd00166g","","","1.54184","CuKα","","0.1623","0.0974","","","0.2362","0.2844","","","","","","1.033","","","","has coordinates,has disorder","286136","2023-09-05","19:55:43","" "1568084","9.0104","0.0004","13.7067","0.0005","24.3591","0.0009","84.789","0.003","81.573","0.003","89.49","0.003","2963.6","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H62 N4 O7 S2 -","- C68 H62 N4 O7 S2 -","- C136 H124 N8 O14 S4 -","2","1","","Wang, Junjun; Li, Hao; Zhu, Yicai; Yang, Mingdi; Huang, Jing; Zhu, Xiaojiao; Yu, Zhi-Peng; Lu, Zhou; Zhou, Hongping","Unveiling upsurge of photogenerated ROS: control of intersystem crossing through tuning aggregation patterns.","Chemical science","2023","14","2","323","330","10.1039/d2sc06445f","","x-ray","1.54186","CuKα","","0.0751","0.048","","","0.114","0.1246","","","","","","1.033","","","","has coordinates","281367","2023-03-04","17:55:27","" "1568085","9.561","0.006","10.771","0.01","32.42","0.02","89.714","0.012","83.055","0.008","76.393","0.007","3220","4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H34.5 N2 O4.5 S -","- C35 H34.5 N2 O4.5 S -","- C140 H138 N8 O18 S4 -","4","2","","Wang, Junjun; Li, Hao; Zhu, Yicai; Yang, Mingdi; Huang, Jing; Zhu, Xiaojiao; Yu, Zhi-Peng; Lu, Zhou; Zhou, Hongping","Unveiling upsurge of photogenerated ROS: control of intersystem crossing through tuning aggregation patterns.","Chemical science","2023","14","2","323","330","10.1039/d2sc06445f","","","0.71073","MoKα","","0.2812","0.1398","","","0.3571","0.4413","","","","","","1.108","","","","has coordinates","281367","2023-03-04","17:55:27","" "1568086","8.8587","0.0016","10.6137","0.0019","14.364","0.003","90.75","0.003","90.402","0.003","96.359","0.003","1342.1","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H26 Au Cl N O2 P -","- C32 H26 Au Cl N O2 P -","- C64 H52 Au2 Cl2 N2 O4 P2 -","2","1","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.0535","0.0427","","","0.0802","0.0827","","","","","","0.945","","","","has coordinates","281399","2023-03-04","18:05:55","" "1568087","8.686","0.0018","10.558","0.002","15.503","0.003","80.834","0.003","74.403","0.004","89.873","0.004","1350.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H29 Au N O2 P -","- C33 H29 Au N O2 P -","- C66 H58 Au2 N2 O4 P2 -","2","1","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.0459","0.0385","","","0.077","0.079","","","","","","0.967","","","","has coordinates","281399","2023-03-04","18:05:57","" "1568088","13.325","0.005","12.768","0.005","16.802","0.007","90","","102.997","0.007","90","","2785.4","1.9","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H32 Au O2 P -","- C31 H32 Au O2 P -","- C124 H128 Au4 O8 P4 -","4","2","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.0896","0.074","","","0.1663","0.1743","","","","","","1.011","","","","has coordinates","281399","2023-03-04","18:05:57","" "1568089","11.632","0.003","11.016","0.003","20.856","0.005","90","","100.801","0.005","90","","2625.1","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 Au F2 O3 P -","- C31 H22 Au F2 O3 P -","- C124 H88 Au4 F8 O12 P4 -","4","1","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.0811","0.052","","","0.0944","0.1035","","","","","","0.923","","","","has coordinates","281399","2023-03-04","18:05:57","" "1568090","16.005","0.006","12.135","0.004","16.626","0.006","90","","99.248","0.006","90","","3187","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 Au Cl N O4 P -","- C37 H30 Au Cl N O4 P -","- C148 H120 Au4 Cl4 N4 O16 P4 -","4","1","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.0578","0.0426","","","0.091","0.0952","","","","","","0.987","","","","has coordinates","281399","2023-03-04","18:05:57","" "1568091","13.2107","0.0004","12.0368","0.0004","17.3384","0.0006","90","","96.519","0.002","90","","2739.23","0.16","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H28 Au O3 P -","- C32 H28 Au O3 P -","- C128 H112 Au4 O12 P4 -","4","2","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","1.54178","CuKα","","0.0526","0.0486","","","0.1243","0.1273","","","","","","1.055","","","","has coordinates","281399","2023-03-04","18:05:57","" "1568092","11.146","0.002","24.058","0.005","42.262","0.008","90","","90","","90","","11333","4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H25 Au Cl2 N O2 P -","- C32 H25 Au Cl2 N O2 P -","- C512 H400 Au16 Cl32 N16 O32 P16 -","16","2","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.1027","0.0619","","","0.0949","0.1032","","","","","","1.072","","","","has coordinates","281399","2023-03-04","18:05:57","" "1568093","13.545","0.003","11.373","0.003","27.757","0.006","90","","100.052","0.004","90","","4210.3","1.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Au O3 P -","- C25 H20 Au O3 P -","- C200 H160 Au8 O24 P8 -","8","2","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.058","0.0395","","","0.0737","0.0773","","","","","","0.964","","","","has coordinates","281399","2023-03-04","18:05:57","" "1568094","7.1094","0.0002","8.1861","0.0003","9.3662","0.0003","92.147","0.003","94.856","0.002","90.442","0.003","542.73","0.03","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C9 H5 F N O6 Re -","- C9 H5 F N O6 Re -","- C18 H10 F2 N2 O12 Re2 -","2","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0145","0.0145","","","0.0358","0.0358","","","","","","1.201","","","","has coordinates","281396","2023-03-04","18:05:07","" "1568095","11.9487","0.0003","6.8332","0.0002","16.0682","0.0004","90","","108.801","0.003","90","","1241.93","0.06","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N O7 Re -","- C10 H8 N O7 Re -","- C40 H32 N4 O28 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0337","0.0309","","","0.0896","0.0939","","","","","","1.124","","","","has coordinates","281396","2023-03-04","18:05:07","" "1568096","24.2151","0.0002","10.2839","0.0001","11.5557","0.0001","90","","90.506","0.001","90","","2877.55","0.04","160","1","160","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 F6 N2 O15 Re2 -","- C20 H16 F6 N2 O15 Re2 -","- C80 H64 F24 N8 O60 Re8 -","4","0.5","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.025","0.0249","","","0.0651","0.0652","","","","","","1.164","","","","has coordinates","281396","2023-03-04","18:05:07","" "1568097","9.3367","0.0001","11.1259","0.0001","22.22","0.0002","90","","99.672","0.001","90","","2275.39","0.04","160","1","160","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C9 H5 Cl N O6 Re -","- C9 H5 Cl N O6 Re -","- C72 H40 Cl8 N8 O48 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0136","0.0134","","","0.033","0.0336","","","","","","1.289","","","","has coordinates","281396","2023-03-04","18:05:07","" "1568098","10.0882","0.0002","19.6105","0.0003","12.6146","0.0003","90","","112.846","0.003","90","","2299.83","0.09","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 F N O6 Re -","- C9 H5 F N O6 Re -","- C72 H40 F8 N8 O48 Re8 -","8","2","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0264","0.0264","","","0.0628","0.0629","","","","","","1.276","","","","has coordinates","281396","2023-03-04","18:05:07","" "1568099","8.2553","0.0001","7.1514","0.0001","19.0448","0.0002","90","","92.838","0.001","90","","1122.97","0.02","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 Cl N O6 Re -","- C9 H5 Cl N O6 Re -","- C36 H20 Cl4 N4 O24 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0194","0.0193","","","0.0519","0.0519","","","","","","1.227","","","","has coordinates","281396","2023-03-04","18:05:07","" "1568100","25.3206","0.0006","11.8306","0.0002","9.3609","0.0002","90","","121.786","0.003","90","","2383.57","0.12","160","1","160","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 N O7 Re -","- C10 H8 N O7 Re -","- C80 H64 N8 O56 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0241","0.0237","","","0.0661","0.0668","","","","","","1.102","","","","has coordinates","281396","2023-03-04","18:05:07","" "1568101","9.2924","0.0002","11.1464","0.0003","22.2675","0.0006","90","","100.09","0.002","90","","2270.73","0.1","160","1","160","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H8 N O6 Re -","- C10 H8 N O6 Re -","- C80 H64 N8 O48 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0257","0.0246","","","0.0638","0.0645","","","","","","1.089","","","","has coordinates","281396","2023-03-04","18:05:07","" "1568102","22.7527","0.0002","10.614","0.0001","21.7337","0.0002","90","","109.916","0.001","90","","4934.72","0.08","160","1","160","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H18 N2 O13 Re2 -","- C20 H18 N2 O13 Re2 -","- C160 H144 N16 O104 Re16 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0183","0.0179","","","0.0429","0.0431","","","","","","1.141","","","","has coordinates","281396","2023-03-04","18:05:07","" "1568103","24.6859","0.0003","11.4192","0.0001","9.1451","0.0002","90","","97.31","0.001","90","","2556.99","0.07","160","1","160","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N O7 Re -","- C10 H10 N O7 Re -","- C80 H80 N8 O56 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0205","0.0204","","","0.0519","0.0519","","","","","","1.216","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07","" "1568104","6.7986","0.0001","18.177","0.0003","9.6514","0.0001","90","","94.971","0.001","90","","1188.22","0.03","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 N2 O8 Re -","- C9 H5 N2 O8 Re -","- C36 H20 N8 O32 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0214","0.0212","","","0.0554","0.0556","","","","","","1.225","","","","has coordinates","281396","2023-03-04","18:05:07","" "1568105","6.3055","0.0002","9.8069","0.0002","10.5545","0.0002","102.051","0.002","100.494","0.002","105.893","0.002","593.68","0.03","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C9 H5 Cl N O6 Re -","- C9 H5 Cl N O6 Re -","- C18 H10 Cl2 N2 O12 Re2 -","2","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0187","0.0185","","","0.048","0.0482","","","","","","1.109","","","","has coordinates","281396","2023-03-04","18:05:07","" "1568106","6.4225","0.0001","10.7862","0.0003","18.6703","0.0005","83.339","0.002","85.503","0.002","79.429","0.002","1260.68","0.05","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C10 H5 F3 N O6 Re -","- C10 H5 F3 N O6 Re -","- C40 H20 F12 N4 O24 Re4 -","4","2","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0162","0.0146","","","0.0331","0.0336","","","","","","1.023","","","","has coordinates","281396","2023-03-04","18:05:07","" "1568107","24.23071","0.00018","11.28656","0.00008","8.98742","0.00007","90","","98.0757","0.0008","90","","2433.52","0.03","160","1","160","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 N2 O7 Re -","- C9 H9 N2 O7 Re -","- C72 H72 N16 O56 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0273","0.0272","","","0.0705","0.0706","","","","","","1.252","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07","" "1568108","9.8967","0.0003","10.5952","0.0003","12.8653","0.0002","106.448","0.002","105.596","0.003","103.191","0.003","1176.62","0.07","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 N2 O15 Re2 -","- C18 H14 N2 O15 Re2 -","- C36 H28 N4 O30 Re4 -","2","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0234","0.0221","","","0.0562","0.0565","","","","","","1.182","","","","has coordinates","281396","2023-03-04","18:05:07","" "1568109","6.4668","0.0001","24.4678","0.0003","8.2183","0.0001","90","","102.605","0.001","90","","1269.03","0.03","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N2 O9 Re -","- C9 H7 N2 O9 Re -","- C36 H28 N8 O36 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0297","0.029","","","0.0774","0.0777","","","","","","1.257","","","","has coordinates","281396","2023-03-04","18:05:07","" "1568110","10.5868","0.0002","13.477","0.0003","18.0923","0.0003","82.284","0.002","87.527","0.001","68.815","0.002","2385.09","0.09","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N4 O13 Re2 -","- C18 H16 N4 O13 Re2 -","- C72 H64 N16 O52 Re8 -","4","2","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0157","0.015","","","0.0353","0.0355","","","","","","1.142","","","","has coordinates","281396","2023-03-04","18:05:07","" "1568111","8.8821","0.0001","11.136","0.0002","26.399","0.0004","90","","93.457","0.001","90","","2606.4","0.07","160","1","160","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H10 N O8 Re -","- C10 H10 N O8 Re -","- C80 H80 N8 O64 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0165","0.0164","","","0.0419","0.042","","","","","","1.156","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07","" "1568112","12.926","0.0001","6.8177","0.0001","15.2153","0.0002","90","","112.206","0.001","90","","1241.41","0.03","160","1","160","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H5 F3 N O6 Re -","- C10 H5 F3 N O6 Re -","- C40 H20 F12 N4 O24 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0173","0.0167","","","0.0436","0.044","","","","","","1.117","","","","has coordinates","281396","2023-03-04","18:05:07","" "1568113","10.5413","0.0001","6.8478","0.0001","17.1068","0.0002","90","","103.515","0.001","90","","1200.65","0.03","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 N O8 Re -","- C10 H6 N O8 Re -","- C40 H24 N4 O32 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0232","0.0232","","","0.0595","0.0595","","","","","","1.274","","","","has coordinates","281396","2023-03-04","18:05:07","" "1568114","24.6135","0.0001","11.2159","0.0001","9.5651","0.0001","90","","94.071","0.001","90","","2633.9","0.04","160","1","160","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N O8 Re -","- C10 H10 N O8 Re -","- C80 H80 N8 O64 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0123","0.0123","","","0.0309","0.0309","","","","","","1.216","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07","" "1568115","9.7973","0.0002","10.6398","0.0003","12.744","0.0003","78.502","0.002","68.184","0.002","73.235","0.002","1174.53","0.05","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 F2 N2 O13 Re2 -","- C19 H14 F2 N2 O13 Re2 -","- C38 H28 F4 N4 O26 Re4 -","2","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0221","0.0191","","","0.0483","0.0495","","","","","","1.068","","","","has coordinates","281396","2023-03-04","18:05:07","" "1568116","9.1881","0.0001","11.0679","0.0001","25.0097","0.0003","90","","97.989","0.001","90","","2518.63","0.05","160","1","160","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H10 N O7 Re -","- C10 H10 N O7 Re -","- C80 H80 N8 O56 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0228","0.0222","","","0.0574","0.0575","","","","","","1.203","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07","" "1568117","12.1358","0.0001","18.6012","0.0001","16.1266","0.0001","90","","90.297","0.001","90","","3640.38","0.04","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 N6 O25 Re3 -","- C27 H17 N6 O25 Re3 -","- C108 H68 N24 O100 Re12 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0181","0.018","","","0.0445","0.0446","","","","","","1.263","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07","" "1568118","10.938","0.0003","11.4782","0.0003","12.8234","0.0003","101.726","0.002","111.1","0.003","109.637","0.003","1314.84","0.08","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 N4 O15 Re2 -","- C20 H16 N4 O15 Re2 -","- C40 H32 N8 O30 Re4 -","2","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0201","0.0198","","","0.0563","0.0566","","","","","","1.135","","","","has coordinates","281396","2023-03-04","18:05:07","" "1568119","9.0438","0.0001","11.1598","0.0002","23.9385","0.0004","90","","96.213","0.001","90","","2401.85","0.06","160","1","160","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C9 H7 F N O7 Re -","- C9 H7 F N O7 Re -","- C72 H56 F8 N8 O56 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.018","0.0174","","","0.0463","0.0467","","","","","","1.154","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07","" "1568120","7.2397","0.0003","8.0044","0.0004","9.5362","0.0002","88.048","0.003","76.353","0.003","84.465","0.004","534.48","0.04","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 N O7 Re -","- C9 H6 N O7 Re -","- C18 H12 N2 O14 Re2 -","2","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0226","0.0218","","","0.0584","0.0589","","","","","","1.126","","","","has coordinates","281396","2023-03-04","18:05:07","" "1568121","10.3332","0.0003","6.6448","0.0002","17.7601","0.0004","90","","102.862","0.002","90","","1188.85","0.06","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 N2 O6 Re -","- C10 H5 N2 O6 Re -","- C40 H20 N8 O24 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0197","0.0197","","","0.0512","0.0512","","","","","","1.15","","","","has coordinates","281396","2023-03-04","18:05:07","" "1568122","22.88","0.0002","9.9814","0.0001","20.3649","0.0002","90","","91.591","0.001","90","","4649.03","0.08","160","1","160","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H5 Cl N O6 Re -","- C9 H5 Cl N O6 Re -","- C144 H80 Cl16 N16 O96 Re16 -","16","2","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0156","0.0152","","","0.0355","0.0356","","","","","","1.238","","","","has coordinates","281396","2023-03-04","18:05:07","" "1568123","9.5855","0.0004","11.0763","0.0005","13.1896","0.0007","90","","99.386","0.004","90","","1381.62","0.11","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 Al N Na O -","- C11 H17 Al N Na O -","- C44 H68 Al4 N4 Na4 O4 -","4","1","","Damián, Jesús; Rentero, Christian; Echeverría, Jorge; Mosquera, Marta E. G.","Alkali metal⋯methyl short contacts in aluminates: more than agostic interactions.","Faraday discussions","2023","244","0","294","305","10.1039/d2fd00144f","","x-ray","0.71073","MoKα","","0.0754","0.042","","","0.1043","0.114","","","","","","1.031","","","","has coordinates","286132","2023-09-05","19:54:38","" "1568124","13.6795","0.0003","17.7174","0.0003","9.9143","0.0002","90","","90","","90","","2402.88","0.08","179.99","0.1","179.99","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C18 H36 Br2 Eu N2 O6 -","- C18 H36 Br2 Eu N2 O6 -","- C72 H144 Br8 Eu4 N8 O24 -","4","1","","Yu, Gang; Liu, Huanyu; Yan, Wenchao; Guo, Ruoyao; Wu, Aoben; Zhao, Zifeng; Liu, Zhiwei; Bian, Zuqiang","4f → 3d sensitization: a luminescent EuII-MnII heteronuclear complex with a near-unity quantum yield.","Materials horizons","2023","10","2","625","631","10.1039/d2mh01123a","","x-ray","0.71073","MoKα","","0.0218","0.0196","","","0.0382","0.0387","","","","","","1.01","","","","has coordinates","281623","2023-03-04","18:51:23","" "1568125","16.7005","0.001","11.9358","0.0004","16.9034","0.0008","90","","108.602","0.006","90","","3193.4","0.3","180","0.1","180","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20.65 H45.3 Br4 Eu Mn N2 O8 -","- C20.65 H45.3 Br4 Eu Mn N2 O8 -","- C82.6 H181.2 Br16 Eu4 Mn4 N8 O32 -","4","1","","Yu, Gang; Liu, Huanyu; Yan, Wenchao; Guo, Ruoyao; Wu, Aoben; Zhao, Zifeng; Liu, Zhiwei; Bian, Zuqiang","4f → 3d sensitization: a luminescent EuII-MnII heteronuclear complex with a near-unity quantum yield.","Materials horizons","2023","10","2","625","631","10.1039/d2mh01123a","","x-ray","0.71073","MoKα","","0.0735","0.0621","","","0.1473","0.1524","","","","","","1.065","","","","has coordinates,has disorder","281623","2023-03-04","18:51:26","" "1568126","11.5435","0.0004","20.2186","0.0005","13.5459","0.0005","90","","91.42","0.003","90","","3160.55","0.18","180","0.1","180","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H45.11 Br2.89 Mn N2 O9.11 Sr -","- C20 H45.11 Br2.89 Mn N2 O9.11 Sr -","- C80 H180.44 Br11.56 Mn4 N8 O36.44 Sr4 -","4","1","","Yu, Gang; Liu, Huanyu; Yan, Wenchao; Guo, Ruoyao; Wu, Aoben; Zhao, Zifeng; Liu, Zhiwei; Bian, Zuqiang","4f → 3d sensitization: a luminescent EuII-MnII heteronuclear complex with a near-unity quantum yield.","Materials horizons","2023","10","2","625","631","10.1039/d2mh01123a","","x-ray","0.71073","MoKα","","0.0971","0.0482","","","0.0945","0.1083","","","","","","1.021","","","","has coordinates,has disorder","281623","2023-03-04","18:51:29","" "1568127","14.04743","0.00016","14.65564","0.00016","31.3669","0.0004","90","","102.744","0.0012","90","","6298.56","0.13","180","0.1","180","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 Br4 Eu N2 O8 Zn -","- C20 H44 Br4 Eu N2 O8 Zn -","- C160 H352 Br32 Eu8 N16 O64 Zn8 -","8","2","","Yu, Gang; Liu, Huanyu; Yan, Wenchao; Guo, Ruoyao; Wu, Aoben; Zhao, Zifeng; Liu, Zhiwei; Bian, Zuqiang","4f → 3d sensitization: a luminescent EuII-MnII heteronuclear complex with a near-unity quantum yield.","Materials horizons","2023","10","2","625","631","10.1039/d2mh01123a","","x-ray","0.71073","MoKα","","0.0405","0.0286","","","0.0524","0.0551","","","","","","1.017","","","","has coordinates","281623","2023-03-04","18:51:30","" "1568128","18.6378","0.0006","9.1309","0.0003","10.6136","0.0003","90","","90","","90","","1806.22","0.1","303","","303","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Cd Rb2 S10 Si4 -","- Cd Rb2 S10 Si4 -","- Cd4 Rb8 S40 Si16 -","4","1","","Zhou, Jiazheng; Fan, Zhongxu; Zhang, Kewang; Yang, Zhihua; Pan, Shilie; Li, Junjie","Rb2CdSi4S10: novel [Si4S10] T2-supertetrahedra-contained infrared nonlinear optical material with large band gap.","Materials horizons","2023","10","2","619","624","10.1039/d2mh01200f","","","0.71073","MoKα","","0.0331","0.0265","","","0.0564","0.0638","","","","","","0.9","","","","has coordinates","281620","2023-03-04","18:50:21","" "1568129","7.4324","0.0005","14.6018","0.0014","16.6369","0.0014","109.684","0.008","98.078","0.007","93.683","0.007","1671.1","0.3","113.15","","113.15","","","","","","","","","3","P -1","-P 1","2","","","","- C44 H44 N2 -","- C44 H44 N2 -","- C88 H88 N4 -","2","1","","Kou, Yan; Li, Guangwu; Han, Yi; Li, Mengwei; Wang, Tingting; Qu, Zhiyu; Chen, Yulan","Angularly fused diaza-dinaphthopyrenes: regio-selective synthesis, crystal structures and isomer-dependent mechanochromic fluorescent properties.","Chemical science","2023","14","3","668","674","10.1039/d2sc05608a","","x-ray","0.71073","MoKα","","0.1649","0.0887","","","0.2223","0.2772","","","","","","1.027","","","","has coordinates","281400","2023-03-04","18:06:06","" "1568130","5.438","0.0001","17.7484","0.0005","19.3921","0.0006","90","","91.455","0.002","90","","1871.04","0.09","159.99","0.1","159.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N -","- C22 H22 N -","- C88 H88 N4 -","4","1","","Kou, Yan; Li, Guangwu; Han, Yi; Li, Mengwei; Wang, Tingting; Qu, Zhiyu; Chen, Yulan","Angularly fused diaza-dinaphthopyrenes: regio-selective synthesis, crystal structures and isomer-dependent mechanochromic fluorescent properties.","Chemical science","2023","14","3","668","674","10.1039/d2sc05608a","","x-ray","1.54184","CuKα","","0.0936","0.0814","","","0.2371","0.2466","","","","","","1.062","","","","has coordinates","281400","2023-03-04","18:06:06","" "1568131","8.2861","0.0015","5.4731","0.001","20.821","0.004","90","","93.606","0.005","90","","942.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(4-cyanophenyl)-N-hydroxymethanesulfonamide","","- C8 H8 N2 O3 S -","- C8 H8 N2 O3 S -","- C32 H32 N8 O12 S4 -","4","1","","Lasso, Juan D.; Castillo-Pazos, Durbis J; Sim, Malcolm; Barroso-Flores, Joaquín; Li, Chao-Jun","EDA mediated S-N bond coupling of nitroarenes and sodium sulfinate salts.","Chemical science","2023","14","3","525","532","10.1039/d2sc06087f","","","1.54178","CuKα","","0.0342","0.0338","","","0.092","0.0925","","","","","","1.088","","","","has coordinates","283192","2023-05-05","01:14:18","" "1568132","20.8417","0.0011","21.4892","0.0012","23.9061","0.0012","86.621","0.004","66.127","0.005","71.885","0.005","9277.9","1","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C388 H430 Ag18 Cu8 F24 O4 P8 Sb4 -","- C388 H430 Ag18 Cu8 F24 O4 P8 Sb4 -","- C388 H430 Ag18 Cu8 F24 O4 P8 Sb4 -","1","0.5","","Sun, Xueli; Tang, Xiongkai; Gao, Yan-Li; Zhao, Yujuan; Wu, Qingyuan; Cao, Dongxu; Shen, Hui","An atomically precise Ag18Cu8 nanocluster with rich alkynyl-metal coordination structures and unique SbF6- assembling modes.","Nanoscale","2023","15","5","2316","2322","10.1039/d2nr05814f","","x-ray","1.54184","CuKα","","0.1912","0.1213","","","0.2877","0.3935","","","","","","1.015","","","","has coordinates,has disorder","281488","2023-03-04","18:26:43","" "1568133","14.8239","0.0006","21.1789","0.0006","17.2427","0.0008","90","","107.318","0.005","90","","5168","0.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","U{(μ-H)3IrCp*}4","","- C46 H74 Ir4 U -","- C46 H74 Ir4 U -","- C184 H296 Ir16 U4 -","4","0.5","","Ye, Christopher Z.; Del Rosal, Iker; Boreen, Michael A.; Ouellette, Erik T.; Russo, Dominic R.; Maron, Laurent; Arnold, John; Camp, Clément","A versatile strategy for the formation of hydride-bridged actinide-iridium multimetallics.","Chemical science","2023","14","4","861","868","10.1039/d2sc04903a","","x-ray","0.71073","MoKα","","0.04","0.0376","","","0.0949","0.0956","","","","","","1.389","","","","has coordinates,has disorder","283156","2023-05-05","00:59:58","" "1568134","13.6424","0.0017","19.07","0.002","17.52","0.002","90","","102.339","0.006","90","","4452.7","0.9","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Th{[(μ-H2)(H)IrCp*]2[(μ-H)3IrCp*]2}","","- C40 H60 Ir4 Th -","- C40 H60 Ir4 Th -","- C160 H240 Ir16 Th4 -","4","1","","Ye, Christopher Z.; Del Rosal, Iker; Boreen, Michael A.; Ouellette, Erik T.; Russo, Dominic R.; Maron, Laurent; Arnold, John; Camp, Clément","A versatile strategy for the formation of hydride-bridged actinide-iridium multimetallics.","Chemical science","2023","14","4","861","868","10.1039/d2sc04903a","","","0.7288","synchrotron","","0.1052","0.0625","","","0.143","0.175","","","","","","1.037","","","","has coordinates","283156","2023-05-05","00:59:58","" "1568135","12.0833","0.0002","15.2848","0.0002","18.5723","0.0003","93.815","0.001","98.607","0.001","93.365","0.001","3375.78","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","{U[(μ2-H3)IrCp*]2[(μ3-H2)IrCp*]}2","","- C60 H90 Ir6 U2 -","- C60 H90 Ir6 U2 -","- C120 H180 Ir12 U4 -","2","1","","Ye, Christopher Z.; Del Rosal, Iker; Boreen, Michael A.; Ouellette, Erik T.; Russo, Dominic R.; Maron, Laurent; Arnold, John; Camp, Clément","A versatile strategy for the formation of hydride-bridged actinide-iridium multimetallics.","Chemical science","2023","14","4","861","868","10.1039/d2sc04903a","","x-ray","0.71073","MoKα","","0.0297","0.0243","","","0.0579","0.0596","","","","","","1.015","","","","has coordinates","283156","2023-05-05","00:59:58","" "1568164","9.1046","0.0007","7.8073","0.0006","15.404","0.0011","90","","101.618","0.007","90","","1072.52","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H48 S2 Si2 -","- C48 H48 S2 Si2 -","- C48 H48 S2 Si2 -","1","0.5","","Ling, Fang-Ying; Ye, Fei; Fang, Xiao-Jun; Zhou, Xiao-Hua; Huang, Wei-Sheng; Xu, Zheng; Xu, Li-Wen","An unusual autocatalysis with an air-stable Pd complex to promote enantioselective synthesis of Si-stereogenic enynes.","Chemical science","2023","14","5","1123","1131","10.1039/d2sc06181c","","","1.54184","CuKα","","0.0483","0.0412","","","0.1002","0.1058","","","","","","0.995","","","","has coordinates","281351","2023-03-04","17:50:34","" "1568165","22.1273","0.0009","22.1273","0.0009","62.674","0.004","90","","90","","120","","26575","2","100","","100","","","","","","","","","6","R 3 :H","R 3","146","","","","- C256 H432 Fe4 N28 O186 S12 -","- C192 H174 Fe4 N24 O90 S12 -","- C576 H522 Fe12 N72 O270 S36 -","3","0.333333","","Schwab, Jake H.; Bailey, Jake B.; Gembicky, Milan; Stauber, Julia M.","Programmable synthesis of well-defined, glycosylated iron(ii) supramolecular assemblies with multivalent protein-binding capabilities.","Chemical science","2023","14","4","1018","1026","10.1039/d2sc05689e","","x-ray","0.71073","MoKα","K-L~3~","0.1235","0.0858","","","0.2421","0.2881","","","","","","1.036","","","","has coordinates,has disorder","281360","2023-03-04","17:52:56","" "1568166","17.659","0.0002","8.3859","0.0001","17.8047","0.0002","90","","92.68","0.001","90","","2633.75","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33.5 H28 O6 -","- C33.5 H28 O6 -","- C134 H112 O24 -","4","1","","Vieira de Castro, Tomás; Huang, David M.; Sumby, Christopher J.; Lawrence, Andrew L.; George, Jonathan H.","A bioinspired, one-step total synthesis of peshawaraquinone.","Chemical science","2023","14","4","950","954","10.1039/d2sc05377b","","x-ray","1.54184","CuKα","","0.0626","0.0572","","","0.149","0.1535","","","","","","1.008","","","","has coordinates,has disorder","283157","2023-05-05","01:00:18","" "1568167","20.621","0.004","16.428","0.003","11.715","0.002","90","","93.68","0.03","90","","3960.4","1.3","100","2","100","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C42 H56 N10 -","- C42 H56 N10 -","- C168 H224 N40 -","4","1","","Dalhoff, Rosalie; Schmidt, Regina; Steeb, Lena; Rabatinova, Kristina; Witte, Matthias; Teeuwen, Simon; Benjamaâ, Salim; Hüppe, Henrika; Hoffmann, Alexander; Herres-Pawlis, Sonja","The bridge towards a more stable and active side-on-peroxido (Cu2II(µ-η22-O2)) complex as a tyrosinase model system.","Faraday discussions","2023","244","0","134","153","10.1039/d2fd00162d","","x-ray","1.54186","CuKα","","0.0563","0.0417","","","0.0934","0.0982","","","","","","1.017","","","","has coordinates","286129","2023-09-05","19:53:57","" "1568168","15.937","0.003","16.75","0.003","17.048","0.003","89.73","0.03","86.39","0.03","86.79","0.03","4534.7","1.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 Br2 Cu2 N10 -","- C42 H56 Br2 Cu2 N10 -","- C168 H224 Br8 Cu8 N40 -","4","2","","Dalhoff, Rosalie; Schmidt, Regina; Steeb, Lena; Rabatinova, Kristina; Witte, Matthias; Teeuwen, Simon; Benjamaâ, Salim; Hüppe, Henrika; Hoffmann, Alexander; Herres-Pawlis, Sonja","The bridge towards a more stable and active side-on-peroxido (Cu2II(µ-η22-O2)) complex as a tyrosinase model system.","Faraday discussions","2023","244","0","134","153","10.1039/d2fd00162d","","x-ray","0.71073","MoKα","","0.1085","0.0645","","","0.1548","0.1703","","","","","","0.956","","","","has coordinates","286129","2023-09-05","19:53:58","" "1568169","15.889","0.014","17.074","0.015","17.838","0.015","90.35","0.02","93.73","0.02","92.86","0.02","4823","7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 Cu2 I2 N10 -","- C42 H56 Cu2 I2 N10 -","- C168 H224 Cu8 I8 N40 -","4","2","","Dalhoff, Rosalie; Schmidt, Regina; Steeb, Lena; Rabatinova, Kristina; Witte, Matthias; Teeuwen, Simon; Benjamaâ, Salim; Hüppe, Henrika; Hoffmann, Alexander; Herres-Pawlis, Sonja","The bridge towards a more stable and active side-on-peroxido (Cu2II(µ-η22-O2)) complex as a tyrosinase model system.","Faraday discussions","2023","244","0","134","153","10.1039/d2fd00162d","","","0.71073","MoKα","","0.1041","0.0692","","","0.1671","0.1889","","","","","","1.019","","","","has coordinates","286129","2023-09-05","19:53:58","" "1568170","17.15","0.003","20.445","0.004","18.975","0.004","90","","109","0.03","90","","6291","2","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H56 Cu2 F12 N10 O2 Sb2 -","- C42 H56 Cu2 F12 N10 O2 Sb2 -","- C168 H224 Cu8 F48 N40 O8 Sb8 -","4","1","","Dalhoff, Rosalie; Schmidt, Regina; Steeb, Lena; Rabatinova, Kristina; Witte, Matthias; Teeuwen, Simon; Benjamaâ, Salim; Hüppe, Henrika; Hoffmann, Alexander; Herres-Pawlis, Sonja","The bridge towards a more stable and active side-on-peroxido (Cu2II(µ-η22-O2)) complex as a tyrosinase model system.","Faraday discussions","2023","244","0","134","153","10.1039/d2fd00162d","","x-ray","0.71073","MoKα","","0.0405","0.0306","","","0.0772","0.0792","","","","","","1.023","","","","has coordinates","286129","2023-09-05","19:53:58","" "1568171","13.994","0.003","13.812","0.003","15.483","0.003","90","","109.81","0.03","90","","2815.5","1.1","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H62 Cu2 F6 N12 O6 S2 -","- C48 H62 Cu2 F6 N12 O6 S2 -","- C96 H124 Cu4 F12 N24 O12 S4 -","2","0.5","","Dalhoff, Rosalie; Schmidt, Regina; Steeb, Lena; Rabatinova, Kristina; Witte, Matthias; Teeuwen, Simon; Benjamaâ, Salim; Hüppe, Henrika; Hoffmann, Alexander; Herres-Pawlis, Sonja","The bridge towards a more stable and active side-on-peroxido (Cu2II(µ-η22-O2)) complex as a tyrosinase model system.","Faraday discussions","2023","244","0","134","153","10.1039/d2fd00162d","","x-ray","0.71073","MoKα","","0.0637","0.0557","","","0.1557","0.163","","","","","","1.107","","","","has coordinates","286129","2023-09-05","19:53:58","" "1568172","16.007","0.003","16.568","0.003","16.63","0.003","89.47","0.03","86.66","0.03","87.22","0.03","4397.6","1.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 Cl2 Cu2 N10 -","- C42 H56 Cl2 Cu2 N10 -","- C168 H224 Cl8 Cu8 N40 -","4","2","","Dalhoff, Rosalie; Schmidt, Regina; Steeb, Lena; Rabatinova, Kristina; Witte, Matthias; Teeuwen, Simon; Benjamaâ, Salim; Hüppe, Henrika; Hoffmann, Alexander; Herres-Pawlis, Sonja","The bridge towards a more stable and active side-on-peroxido (Cu2II(µ-η22-O2)) complex as a tyrosinase model system.","Faraday discussions","2023","244","0","134","153","10.1039/d2fd00162d","","x-ray","1.54186","CuKα","","0.044","0.0323","","","0.0799","0.0832","","","","","","1.037","","","","has coordinates","286129","2023-09-05","19:53:58","" "1568173","11.656","0.002","15.29","0.003","17.087","0.003","90","","91.29","0.03","90","","3044.5","1","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H66 Cl4 Cu2 F12 N12 P2 -","- C48 H66 Cl4 Cu2 F12 N12 P2 -","- C96 H132 Cl8 Cu4 F24 N24 P4 -","2","0.5","","Dalhoff, Rosalie; Schmidt, Regina; Steeb, Lena; Rabatinova, Kristina; Witte, Matthias; Teeuwen, Simon; Benjamaâ, Salim; Hüppe, Henrika; Hoffmann, Alexander; Herres-Pawlis, Sonja","The bridge towards a more stable and active side-on-peroxido (Cu2II(µ-η22-O2)) complex as a tyrosinase model system.","Faraday discussions","2023","244","0","134","153","10.1039/d2fd00162d","","x-ray","0.71073","MoKα","","0.0747","0.0642","","","0.1421","0.1449","","","","","","1.236","","","","has coordinates,has disorder","286129","2023-09-05","19:53:58","" "1568174","13.6884","0.0007","17.0653","0.001","28.5141","0.0013","90","","90","","90","","6660.8","0.6","302","2","302","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70 H56 O22 P2 -","- C70 H56 O22 P2 -","- C280 H224 O88 P8 -","4","1","","Jiang, Yixuan; Huang, Zeng; Tian, Jun; Dong, Xin; Yu, Xiao-Qi; Yu, Shanshan","A chiral BINOL-based supramolecular gel enabling sensitive enantioselective and chemoselective collapse toward histidine.","Soft matter","2023","19","3","430","435","10.1039/d2sm01424f","","","0.71073","MoKα","","0.1117","0.0561","","","0.1216","0.148","","","","","","1.016","","","","has coordinates","281618","2023-03-04","18:50:05","" "1568175","8.1805","0.0003","16.2254","0.0005","25.9415","0.001","90","","90.036","0.002","90","","3443.3","0.2","170","2","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H34 F N O2 S -","- C46 H34 F N O2 S -","- C184 H136 F4 N4 O8 S4 -","4","1","","Zhao, Chenyue; Ding, Zhipeng; Zhang, Yibin; Ni, Zhigang; Li, Shijun; Gong, Shaolong; Zou, Bo; Wang, Kai; Yu, Ling","Thermally activated delayed fluorescence with dual-emission and pressure-induced bidirectional shifting: cooperative effects of intramolecular and intermolecular energy transfer.","Chemical science","2023","14","5","1089","1096","10.1039/d2sc05792a","","","0.71073","MoKα","","0.0483","0.0388","","","0.0968","0.1033","","","","","","1.026","","","","has coordinates","281354","2023-03-04","17:51:26","" "1568176","11.6223","0.0004","22.3952","0.0008","13.154","0.0004","90","","101.844","0.001","90","","3350.9","0.2","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H28 F N O3 S -","- C43 H28 F N O3 S -","- C172 H112 F4 N4 O12 S4 -","4","1","","Zhao, Chenyue; Ding, Zhipeng; Zhang, Yibin; Ni, Zhigang; Li, Shijun; Gong, Shaolong; Zou, Bo; Wang, Kai; Yu, Ling","Thermally activated delayed fluorescence with dual-emission and pressure-induced bidirectional shifting: cooperative effects of intramolecular and intermolecular energy transfer.","Chemical science","2023","14","5","1089","1096","10.1039/d2sc05792a","","","0.71073","MoKα","","0.0646","0.0464","","","0.1226","0.1356","","","","","","1.017","","","","has coordinates","281354","2023-03-04","17:51:26","" "1568177","5.3077","0.0002","10.641","0.0003","14.3047","0.0004","90","","97.421","0.003","90","","801.15","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,5-diethyl-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione","","- C18 H16 N2 O2 S2 -","- C18 H16 N2 O2 S2 -","- C36 H32 N4 O4 S4 -","2","0.5","","Samanta, Ranita; Das, Susobhan; Mondal, Saikat; Alkhidir, Tamador; Mohamed, Sharmarke; Senanayak, Satyaprasad P.; Reddy, C. Malla","Elastic organic semiconducting single crystals for durable all-flexible field-effect transistors: insights into the bending mechanism.","Chemical science","2023","14","6","1363","1371","10.1039/d2sc05217b","","x-ray","1.54184","CuKα","","0.0532","0.051","","","0.1471","0.1487","","","","","","1.081","","","","has coordinates","281374","2023-03-04","17:56:59","" "1568178","11.3574","0.0003","11.4628","0.0003","12.8226","0.0003","102.524","0.002","91.226","0.002","93.168","0.002","1626.18","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H47 F6 N4 Ni -","- C31 H47 F6 N4 Ni -","- C62 H94 F12 N8 Ni2 -","2","1","","Thangavadivale, Vargini G.; Tendera, Lukas; Bertermann, Rüdiger; Radius, Udo; Beweries, Torsten; Perutz, Robin N.","Solution and solid-state studies of hydrogen and halogen bonding with N-heterocyclic carbene supported nickel(II) fluoride complexes.","Faraday discussions","2023","244","0","62","76","10.1039/d2fd00171c","","x-ray","0.71073","MoKα","","0.0434","0.0374","","","0.097","0.1007","","","","","","1.056","","","","has coordinates","286131","2023-09-05","19:54:32","" "1568179","10.5397","0.0002","10.7172","0.0002","19.4459","0.0005","105.371","0.002","98.187","0.002","103.797","0.002","2006.65","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H48 F8 I N4 Ni -","- C38 H48 F8 I N4 Ni -","- C76 H96 F16 I2 N8 Ni2 -","2","1","","Thangavadivale, Vargini G.; Tendera, Lukas; Bertermann, Rüdiger; Radius, Udo; Beweries, Torsten; Perutz, Robin N.","Solution and solid-state studies of hydrogen and halogen bonding with N-heterocyclic carbene supported nickel(II) fluoride complexes.","Faraday discussions","2023","244","0","62","76","10.1039/d2fd00171c","","x-ray","1.54184","CuKα","","0.0322","0.0303","","","0.0801","0.0815","","","","","","1.102","","","","has coordinates","286131","2023-09-05","19:54:32","" "1568180","17.5163","0.0002","18.1903","0.0002","18.3475","0.0002","104.496","0.001","113.59","0.001","104.443","0.001","4767.32","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H48 F10 I2 N4 Ni -","- C44 H48 F10 I2 N4 Ni -","- C176 H192 F40 I8 N16 Ni4 -","4","2","","Thangavadivale, Vargini G.; Tendera, Lukas; Bertermann, Rüdiger; Radius, Udo; Beweries, Torsten; Perutz, Robin N.","Solution and solid-state studies of hydrogen and halogen bonding with N-heterocyclic carbene supported nickel(II) fluoride complexes.","Faraday discussions","2023","244","0","62","76","10.1039/d2fd00171c","","x-ray","1.54184","CuKα","","0.044","0.0401","","","0.1102","0.1135","","","","","","1.079","","","","has coordinates,has disorder","286131","2023-09-05","19:54:32","" "1568181","9.5043","0.0006","10.1028","0.0007","11.4194","0.0008","84.951","0.005","81.475","0.005","62.613","0.005","962.59","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H54 B4 Na2 O8 -","- C32 H54 B4 Na2 O8 -","- C32 H54 B4 Na2 O8 -","1","0.5","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.0667","0.0595","","","0.1464","0.153","","","","","","1.05","","","","has coordinates","281359","2023-03-04","17:52:44","" "1568182","9.6203","0.0008","16.4732","0.001","18.2301","0.0013","90","","90.025","0.006","90","","2889.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 B3 Na O4 -","- C28 H42 B3 Na O4 -","- C112 H168 B12 Na4 O16 -","4","1","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.1373","0.0994","","","0.2288","0.2655","","","","","","1.129","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44","" "1568183","13.1281","0.0009","16.9849","0.0016","18.645","0.001","90","","90","","90","","4157.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H68 B2 Li2 O6 -","- C40 H68 B2 Li2 O6 -","- C160 H272 B8 Li8 O24 -","4","1","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.1151","0.0711","","","0.1496","0.1694","","","","","","1.053","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44","" "1568184","18.6111","0.0006","16.4244","0.0004","30.4468","0.0009","90","","101.989","0.002","90","","9103.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Li2 N2 O2 -","- C30 H48 Li2 N2 O2 -","- C360 H576 Li24 N24 O24 -","12","3","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.1004","0.0742","","","0.1949","0.2124","","","","","","1.055","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44","" "1568185","10.2466","0.0004","14.7968","0.0006","15.6728","0.0006","108.371","0.003","95.677","0.003","90.32","0.003","2242.4","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H136 B4 N4 Na4 O16 -","- C82 H136 B4 N4 Na4 O16 -","- C82 H136 B4 N4 Na4 O16 -","1","0.5","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.0647","0.0571","","","0.1515","0.157","","","","","","1.071","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44","" "1568186","12.6287","0.0012","21.7373","0.0013","17.0233","0.0015","90","","110.611","0.007","90","","4374","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H69 B2 Li N2 O9 -","- C41 H69 B2 Li N2 O9 -","- C164 H276 B8 Li4 N8 O36 -","4","0.5","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.1104","0.0639","","","0.1386","0.1657","","","","","","1.05","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44","" "1568187","29.1123","0.0006","15.8326","0.0003","43.5324","0.001","90","","102.002","0.002","90","","19626.5","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 B3 Li O4 -","- C28 H42 B3 Li O4 -","- C784 H1176 B84 Li28 O112 -","28","7","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.1499","0.0801","","","0.2172","0.2751","","","","","","1.032","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44","" "1568188","8.5527","0.0005","12.4941","0.0007","16.5866","0.0011","75.533","0.005","75.852","0.005","84.925","0.005","1663.45","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H50 B2 Li O8 -","- C33 H50 B2 Li O8 -","- C66 H100 B4 Li2 O16 -","2","1","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.103","0.0642","","","0.1187","0.1379","","","","","","1.197","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44","" "1568189","10.9511","0.001","24.516","0.003","15.2282","0.0015","90","","95.506","0.008","90","","4069.6","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H58 B2 Li N O8 -","- C43 H58 B2 Li N O8 -","- C172 H232 B8 Li4 N4 O32 -","4","1","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.1892","0.1106","","","0.2115","0.2467","","","","","","1.117","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44","" "1568190","8.0196","0.0002","10.2784","0.0003","15.7772","0.0004","73.71","0.002","82.873","0.002","83.416","0.002","1234.28","0.06","229.99","0.1","230","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C49.5 H58 Co N2 O4 S2 -","- C49.5 H58 Co N2 O4 S2 -","- C49.5 H58 Co N2 O4 S2 -","1","0.5","","Mishra, Esha; Ekanayaka, Thilini K.; Panagiotakopoulos, Theodoros; Le, Duy; Rahman, Talat S.; Wang, Ping; McElveen, Kayleigh A.; Phillips, Jared P.; Zaid Zaz, M.; Yazdani, Saeed; N'Diaye, Alpha T; Lai, Rebecca Y.; Streubel, Robert; Cheng, Ruihua; Shatruk, Michael; Dowben, Peter A.","Electronic structure of cobalt valence tautomeric molecules in different environments.","Nanoscale","2023","15","5","2044","2053","10.1039/d2nr06834f","","x-ray","0.71073","MoKα","","0.0816","0.0625","","","0.194","0.2085","","","","","","1.089","","","","has coordinates,has disorder","281487","2023-03-04","18:26:33","" "1568191","6.24","0.0003","7.3164","0.0004","17.7083","0.0008","90","","90","","90","","808.46","0.07","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 O2 S2 -","- C7 H8 O2 S2 -","- C28 H32 O8 S8 -","4","1","","Hardy, Craig; Kociok-Köhn, Gabriele; Buchard, Antoine","Variations around the presence and position of sulfur in sugar-derived cyclic monomers: influence on polymerisation thermodynamics, polymer sequence and thermal properties","Polymer Chemistry","2023","14","5","623","632","10.1039/D2PY01366E","","x-ray","0.71073","MoKα","","0.0382","0.0328","","","0.0673","0.0692","","","","","","1.094","","","","has coordinates","281606","2023-03-04","18:47:03","" "1568192","6.33251","0.00011","7.69444","0.00017","8.95591","0.00016","90","","96.8866","0.0017","90","","433.229","0.015","150","2","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H10 O2 S2 -","- C7 H10 O2 S2 -","- C14 H20 O4 S4 -","2","1","","Hardy, Craig; Kociok-Köhn, Gabriele; Buchard, Antoine","Variations around the presence and position of sulfur in sugar-derived cyclic monomers: influence on polymerisation thermodynamics, polymer sequence and thermal properties","Polymer Chemistry","2023","14","5","623","632","10.1039/D2PY01366E","","x-ray","1.54184","CuKα","","0.0281","0.0281","","","0.0738","0.0738","","","","","","1.065","","","","has coordinates","281606","2023-03-04","18:47:03","" "1568193","6.0382","0.0002","6.9857","0.0002","18.8158","0.0006","90","","90","","90","","793.67","0.04","150","2","149.9","0.6","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 O3 S -","- C7 H10 O3 S -","- C28 H40 O12 S4 -","4","1","","Hardy, Craig; Kociok-Köhn, Gabriele; Buchard, Antoine","Variations around the presence and position of sulfur in sugar-derived cyclic monomers: influence on polymerisation thermodynamics, polymer sequence and thermal properties","Polymer Chemistry","2023","14","5","623","632","10.1039/D2PY01366E","","x-ray","0.71073","MoKα","","0.0248","0.0242","","","0.0643","0.0648","","","","","","1.087","","","","has coordinates","281606","2023-03-04","18:47:03","" "1568194","12.599","0.0003","6.90114","0.00015","18.8705","0.0005","90","","102.949","0.003","90","","1599.02","0.07","150","2","149.9","0.6","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C7 H10 O3 S -","- C7 H10 O3 S -","- C56 H80 O24 S8 -","8","2","","Hardy, Craig; Kociok-Köhn, Gabriele; Buchard, Antoine","Variations around the presence and position of sulfur in sugar-derived cyclic monomers: influence on polymerisation thermodynamics, polymer sequence and thermal properties","Polymer Chemistry","2023","14","5","623","632","10.1039/D2PY01366E","","x-ray","0.71073","MoKα","","0.0264","0.0255","","","0.0603","0.0608","","","","","","1.06","","","","has coordinates","281606","2023-03-04","18:47:03","" "1568195","8.79278","0.00012","6.11294","0.00009","13.39685","0.00018","90","","90.4175","0.0012","90","","720.058","0.017","150","2","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C7 H10 O4 -","- C7 H10 O4 -","- C28 H40 O16 -","4","2","","Hardy, Craig; Kociok-Köhn, Gabriele; Buchard, Antoine","Variations around the presence and position of sulfur in sugar-derived cyclic monomers: influence on polymerisation thermodynamics, polymer sequence and thermal properties","Polymer Chemistry","2023","14","5","623","632","10.1039/D2PY01366E","","x-ray","1.54184","CuKα","","0.0261","0.0258","","","0.0668","0.0671","","","","","","1.075","","","","has coordinates","281606","2023-03-04","18:47:03","" "1568196","26.4405","0.0004","30.63","0.0006","31.6049","0.0006","62.291","0.002","74.7925","0.0016","70.3241","0.0017","21165.1","0.8","100","0.11","100","0.11","","","","","","","","8","P -1","-P 1","2","","","","- C336 H270 Ag46 Cl6 Cr2 N6 O32 S36 -","- C336 H270 Ag45.9999 Cl6 Cr2 N6 O32 S36 -","- C672 H540 Ag91.9998 Cl12 Cr4 N12 O64 S72 -","2","1","","Gupta, Rakesh Kumar; Li, Li; Wang, Zhi; Han, Bao-Liang; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di","Regulating the assembly and expansion of the silver cluster from the Ag37 to Ag46 nanowheel driven by heteroanions.","Chemical science","2023","14","5","1138","1144","10.1039/d2sc06436g","","x-ray","1.54184","CuKα","","0.134","0.0846","","","0.2504","0.2966","","","","","","1.067","","","","has coordinates,has disorder","281349","2023-03-04","17:50:09","" "1568197","17.8704","0.0004","38.6083","0.0006","47.7137","0.0005","90","","94.915","0.001","90","","32798.8","1","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C288 H248 Ag37 Cl11 N6 Na O24 S30 -","- C288 H248 Ag37 Cl11 N6 Na O24 S30 -","- C1152 H992 Ag148 Cl44 N24 Na4 O96 S120 -","4","1","","Gupta, Rakesh Kumar; Li, Li; Wang, Zhi; Han, Bao-Liang; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di","Regulating the assembly and expansion of the silver cluster from the Ag37 to Ag46 nanowheel driven by heteroanions.","Chemical science","2023","14","5","1138","1144","10.1039/d2sc06436g","","x-ray","1.54184","CuKα","","0.1717","0.1265","","","0.3384","0.3781","","","","","","1.271","","","","has coordinates,has disorder","281349","2023-03-04","17:50:09","" "1568198","10.8295","0.0004","14.3466","0.0005","16.2889","0.0007","98.991","0.003","110.11","0.004","97.83","0.004","2297.5","0.17","195","","195","","","","","","","","","7","P -1","-P 1","2","{[Ru2(2356F4PhCO2)4]2[TCNQ]}(CoCp2)4CO2","","","- C92 H42 Co F32 N4 O24 Ru4 -","- C92 H42 Co F32 N4 O24 Ru4 -","- C92 H42 Co F32 N4 O24 Ru4 -","1","0.5","","Kosaka, Wataru; Nemoto, Honoka; Nagano, Kohei; Kawaguchi, Shogo; Sugimoto, Kunihisa; Miyasaka, Hitoshi","Inter-layer magnetic tuning by gas adsorption in π-stacked pillared-layer framework magnets.","Chemical science","2023","14","4","791","800","10.1039/d2sc06337a","powder diffraction","","0.79969","synchrotron","","0.00994","","","","","","0.00995","0.04107","4.8033","","","","","","","has coordinates","281358","2023-03-04","17:52:16","" "1568199","10.3561","0.0006","14.2275","0.0007","16.1588","0.001","96.889","0.004","109.083","0.006","99.555","0.005","2179.7","0.2","120","","120","","","","","","","","","7","P -1","-P 1","2","{[Ru2(2356F4PhCO2)4]2[TCNQ]}(CoCp2)2O2","","","- C88 H42 Co F32 N4 O20 Ru4 -","- C88 H42 Co F32 N4 O20 Ru4 -","- C88 H42 Co F32 N4 O20 Ru4 -","1","0.5","","Kosaka, Wataru; Nemoto, Honoka; Nagano, Kohei; Kawaguchi, Shogo; Sugimoto, Kunihisa; Miyasaka, Hitoshi","Inter-layer magnetic tuning by gas adsorption in π-stacked pillared-layer framework magnets.","Chemical science","2023","14","4","791","800","10.1039/d2sc06337a","powder diffraction","","0.79969","synchrotron","","0.00317","","","","","","0.00316","0.01916","3.6133","","","","","","","has coordinates","281358","2023-03-04","17:52:16","" "1568200","10.3569","0.0005","14.221","0.0003","16.1573","0.0009","96.891","0.003","109.135","0.005","99.504","0.005","2178.34","0.19","120","","120","","","","","","","","","7","P -1","-P 1","2","{[Ru2(2356F4PhCO2)4]2[TCNQ]}(CoCp2)N2","","","- C88 H42 Co F32 N6 O16 Ru4 -","- C88 H42 Co F32 N6 O16 Ru4 -","- C88 H42 Co F32 N6 O16 Ru4 -","1","0.5","","Kosaka, Wataru; Nemoto, Honoka; Nagano, Kohei; Kawaguchi, Shogo; Sugimoto, Kunihisa; Miyasaka, Hitoshi","Inter-layer magnetic tuning by gas adsorption in π-stacked pillared-layer framework magnets.","Chemical science","2023","14","4","791","800","10.1039/d2sc06337a","powder diffraction","","0.79969","synchrotron","","0.00428","","","","","","0.00429","0.02258","3.4332","","","","","","","has coordinates","281358","2023-03-04","17:52:16","" "1568201","12.4765","0.0003","13.7256","0.0003","15.0782","0.0003","71.979","0.002","88.7149","0.0018","78.9608","0.0019","2408.12","0.1","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H108 Br2 Cl18 N8 Na2 O12 -","- C60 H108 Br2 Cl18 N8 Na2 O12 -","- C60 H108 Br2 Cl18 N8 Na2 O12 -","1","0.5","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.5418","CuKα","","0.0529","0.0474","","0.1363","0.1308","0.1363","","","","","","0.9928","","","","has coordinates,has disorder","283154","2023-05-05","00:57:48","" "1568202","25.8831","0.001","5.6524","0.0004","43.78","0.002","90","","94.085","0.004","90","","6388.8","0.6","150","","150","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C29 H52 N4 O6 -","- C29 H52 N4 O6 -","- C232 H416 N32 O48 -","8","1","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.54184","CuKα","","0.0867","0.0553","","0.1556","0.1266","0.1556","","","","","","0.9888","","","","has coordinates,has disorder","283154","2023-05-05","00:57:59","" "1568203","12.6782","0.0002","13.2543","0.0002","17.7146","0.0003","94.8655","0.0015","102.8","0.0015","108.058","0.0016","2721.73","0.08","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H58 F2 K N8 O16 Yb2 -","- C31 H58 F2 K N8 O16 Yb2 -","- C62 H116 F4 K2 N16 O32 Yb4 -","2","1","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.54184","CuKα","","0.0565","0.0548","","0.1598","0.1571","0.1598","","","","","","1.0117","","","","has coordinates","283154","2023-05-05","00:58:08","" "1568204","28.4973","0.0007","15.9022","0.0003","39.7702","0.0008","90","","103.219","0.002","90","","17545.1","0.7","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C186 H316 N48 O84 Yb12 -","- C186 H316 N48 O84 Yb12 -","- C372 H632 N96 O168 Yb24 -","2","0.5","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.5418","CuKα","","0.0851","0.0701","","0.2144","0.1987","0.2144","","","","","","1.0303","","","","has coordinates,has disorder","283154","2023-05-05","00:58:12","" "1568205","10.8216","0.0002","18.3994","0.0003","11.1809","0.0002","90","","106.757","0.002","90","","2131.7","0.07","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 N4 O9 Yb -","- C17 H31 N4 O9 Yb -","- C68 H124 N16 O36 Yb4 -","4","1","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.54184","CuKα","","0.0258","0.0251","","0.0653","0.0648","0.0653","","","","","","1.0237","","","","has coordinates,has disorder","283154","2023-05-05","00:58:23","" "1568206","28.5577","0.0005","15.9841","0.0002","39.9615","0.0006","90","","103.346","0.0016","90","","17748.6","0.5","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C186 H324 Eu12 N48 O84 -","- C186 H324 Eu12 N48 O84 -","- C372 H648 Eu24 N96 O168 -","2","0.5","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.5418","CuKα","","0.1305","0.1126","","0.3036","0.2713","0.3036","","","","","","1.0191","","","","has coordinates","283154","2023-05-05","00:58:32","" "1568207","10.7991","0.0001","18.3916","0.0002","11.2076","0.0001","90","","106.553","0.0013","90","","2133.72","0.04","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 Eu N4 O9 -","- C17 H31 Eu N4 O9 -","- C68 H124 Eu4 N16 O36 -","4","1","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.54184","CuKα","","0.0738","0.0734","","0.2017","0.1999","0.2017","","","","","","1.035","","","","has coordinates,has disorder","283154","2023-05-05","00:58:35","" "1568208","18.67067","0.00017","18.94109","0.00018","18.90816","0.00017","90","","94.3084","0.0008","90","","6667.84","0.11","173.01","0.1","173.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H53 Fe N3 Si4 -","- C24 H53 Fe N3 Si4 -","- C192 H424 Fe8 N24 Si32 -","8","2","","Stroek, Wowa; Albrecht, Martin","Discovery of a simple iron catalyst reveals the intimate steps of C-H amination to form C-N bonds.","Chemical science","2023","14","11","2849","2859","10.1039/d2sc04170g","","x-ray","1.54184","CuKα","","0.0572","0.0509","","","0.1462","0.1523","","","","","","1.076","","","","has coordinates,has disorder","282297","2023-04-04","10:02:00","" "1568209","11.5091","0.0007","16.0047","0.0012","16.969","0.0011","78.893","0.003","83.202","0.002","80.19","0.003","3010.4","0.4","100","","100","","","","","","","","","10","P -1","-P 1","2","","","","- C30 H30 F76 Fe Hg10 Mo N10 O4 S2 Sb10 -","- C30 H30 F76 Fe Hg10 Mo N10 O4 S2 Sb10 -","- C30 H30 F76 Fe Hg10 Mo N10 O4 S2 Sb10 -","1","0.5","","Rupf, Susanne Margot; Moshtaha, Amina Leoni; Malischewski, Moritz","A decacationic ferrocene-based metallostar.","Chemical science","2023","14","5","1132","1137","10.1039/d2sc06151a","","","0.71073","MoKα","","0.0336","0.03","","","0.068","0.0697","","","","","","0.949","","","","has coordinates,has disorder","281353","2023-03-04","17:51:14","" "1568210","18.7149","0.0008","36.9102","0.0016","32.7166","0.0014","90","","94.377","0.002","90","","22533.8","1.7","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C98 H150 F60 Fe Hg10 N24 S10 Sb10 -","- C90 H138 F48 Fe Hg10 N20 S10 Sb8 -","- C360 H552 F192 Fe4 Hg40 N80 S40 Sb32 -","4","0.5","","Rupf, Susanne Margot; Moshtaha, Amina Leoni; Malischewski, Moritz","A decacationic ferrocene-based metallostar.","Chemical science","2023","14","5","1132","1137","10.1039/d2sc06151a","","","0.71073","MoKα","","0.0426","0.0384","","","0.1055","0.1095","","","","","","1.04","","","","has coordinates,has disorder","281353","2023-03-04","17:51:14","" "1568211","16.8907","0.0004","40.5278","0.001","23.013","0.0005","90","","109.001","0.001","90","","14895","0.6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C100 H100 F30 Fe Hg10 N20 O20 -","- C98 H100 F27 Fe Hg10 N20 O18 -","- C392 H400 F108 Fe4 Hg40 N80 O72 -","4","1","","Rupf, Susanne Margot; Moshtaha, Amina Leoni; Malischewski, Moritz","A decacationic ferrocene-based metallostar.","Chemical science","2023","14","5","1132","1137","10.1039/d2sc06151a","","","1.54178","CuKα","","0.0569","0.0519","","","0.1388","0.1439","","","","","","1.052","","","","has coordinates,has disorder","281353","2023-03-04","17:51:14","" "1568212","13.8929","0.0003","15.2075","0.0003","18.0219","0.0004","93.513","0.002","96.836","0.002","101.444","0.002","3691.25","0.14","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C86 H69 Br Cl3 Os P3 -","- C86 H69 Br2 Cl2 Os P3 -","- C172 H138 Br4 Cl4 Os2 P6 -","2","1","","Lin, Zuzhang; Cai, Yapeng; Zhang, Yaowei; Zhang, Hong; Xia, Haiping","Heterocyclic Suzuki-Miyaura coupling reaction of metalla-aromatics and mechanistic analysis of site selectivity.","Chemical science","2023","14","5","1227","1233","10.1039/d2sc05455h","","","1.54184","CuKα","","0.0654","0.0547","","","0.154","0.1629","","","","","","1.064","","","","has coordinates","281357","2023-03-04","17:52:06","" "1568213","37.0917","0.0004","10.9818","0.0001","43.2112","0.0005","90","","106.08","0.001","90","","16912.7","0.3","99.99","0.1","99.99","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C98 H77 Br2 Cl2 N Os P3 -","- C98 H77 Br2 Cl2 N Os P3 -","- C784 H616 Br16 Cl16 N8 Os8 P24 -","8","1","","Lin, Zuzhang; Cai, Yapeng; Zhang, Yaowei; Zhang, Hong; Xia, Haiping","Heterocyclic Suzuki-Miyaura coupling reaction of metalla-aromatics and mechanistic analysis of site selectivity.","Chemical science","2023","14","5","1227","1233","10.1039/d2sc05455h","","x-ray","1.54184","CuKα","","0.052","0.0495","","","0.1288","0.1305","","","","","","1.063","","","","has coordinates,has disorder","281357","2023-03-04","17:52:06","" "1568214","13.9414","0.0011","20.932","0.0017","28.7875","0.0018","90","","95.848","0.003","90","","8357.1","1.1","180","2","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C97 H106 B2 N0 O10 -","- C96.996 H107.988 B2 O10 -","- C387.984 H431.952 B8 O40 -","4","1","","Chen, Jin-Fa; Gao, Qing-Xiu; Liu, Lijie; Chen, Pangkuan; Wei, Tai-Bao","A pillar[5]arene-based planar chiral charge-transfer dye with enhanced circularly polarized luminescence and multiple responsive chiroptical changes.","Chemical science","2023","14","4","987","993","10.1039/d2sc06000k","","","0.71073","MoKα","","0.1392","0.0657","","","0.1698","0.1958","","","","","","0.99","","","","has coordinates,has disorder","281361","2023-03-04","17:53:36","" "1568215","13.3693","0.0008","16.483","0.001","16.996","0.0011","98.522","0.004","110.283","0.004","111.654","0.004","3097.1","0.4","130","0.5","130","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C78 H80 Cl2 N2 O -","- C78 H80 Cl2 N2 O -","- C156 H160 Cl4 N4 O2 -","2","1","","Krzeszewski, Maciej; Dobrzycki, Łukasz; Sobolewski, Andrzej L.; Cyrański, Michał K.; Gryko, Daniel T.","Saddle-shaped aza-nanographene with multiple odd-membered rings","Chemical Science","2023","14","9","2353","2360","10.1039/D2SC05858H","","","1.54178","CuKα","","0.0846","0.0706","","","0.1769","0.1859","","","","","","1.082","","","","has coordinates,has disorder","281390","2023-03-04","18:02:15","" "1568216","11.1707","0.0015","3.8686","0.0005","30.877","0.004","90","","91.966","0.005","90","","1333.6","0.3","130","","130","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C34 H28 N4 O4 -","- C34 H28 N4 O4 -","- C68 H56 N8 O8 -","2","1","","Ruiz Martínez, Cristina; Pérez, Juana M.; Arrabal-Campos, Francisco M.; Rodríguez-Diéguez, Antonio; Choquesillo-Lazarte, Duane; Martínez-Lao, Juan A.; Ortuño, Manuel A.; Fernández, Ignacio","Lithium anthraquinoids as catalysts in the ROP of lactide and caprolactone into cyclic polymers","Polymer Chemistry","2023","14","4","452","461","10.1039/D2PY01076C","","","0.71073","MoKα","","0.0966","0.0771","","","0.1618","0.1699","","","","","","1.163","","","","has coordinates","281608","2023-03-04","18:47:25","" "1568217","15.3458","0.0008","15.7608","0.0007","9.4437","0.0004","90","","93.062","0.004","90","","2280.81","0.18","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 Cl3 N3 O2 -","- C25 H16 Cl3 N3 O2 -","- C100 H64 Cl12 N12 O8 -","4","1","","Ruiz Martínez, Cristina; Pérez, Juana M.; Arrabal-Campos, Francisco M.; Rodríguez-Diéguez, Antonio; Choquesillo-Lazarte, Duane; Martínez-Lao, Juan A.; Ortuño, Manuel A.; Fernández, Ignacio","Lithium anthraquinoids as catalysts in the ROP of lactide and caprolactone into cyclic polymers","Polymer Chemistry","2023","14","4","452","461","10.1039/D2PY01076C","","","1.54178","CuKα","","0.0994","0.0635","","","0.1785","0.1973","","","","","","1.083","","","","has coordinates,has disorder","281608","2023-03-04","18:47:25","" "1568218","7.975","0.0006","16.4265","0.001","13.4165","0.0007","90","","103.052","0.006","90","","1712.17","0.19","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N3 O2 Pd -","- C19 H19 N3 O2 Pd -","- C76 H76 N12 O8 Pd4 -","4","1","","Shukla, Rahul K.; Nair, Akshay M.; Volla, Chandra M. R.","Pd(ii)-catalyzed β- and γ-C-(sp3)-H dienylation with allenyl acetates.","Chemical science","2023","14","4","955","962","10.1039/d2sc05188e","","x-ray","1.54184","CuKα","","0.1102","0.0787","","","0.1951","0.2328","","","","","","1.083","","","","has coordinates","281362","2023-03-04","17:53:46","" "1568219","17.933","0.004","5.7655","0.0013","20.387","0.004","90","","93.694","0.019","90","","2103.5","0.8","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 O -","- C27 H22 N2 O -","- C108 H88 N8 O4 -","4","1","","Shukla, Rahul K.; Nair, Akshay M.; Volla, Chandra M. R.","Pd(ii)-catalyzed β- and γ-C-(sp3)-H dienylation with allenyl acetates.","Chemical science","2023","14","4","955","962","10.1039/d2sc05188e","","x-ray","0.71073","MoKα","","0.2383","0.1125","","","0.2548","0.3469","","","","","","1.016","","","","has coordinates","281362","2023-03-04","17:53:46","" "1568220","18.5183","0.0003","9.4082","0.0001","20.3888","0.0002","90","","102.717","0.002","90","","3465.08","0.08","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C H N O Pd -","- C3.26531 H3.10204 N0.489796 O0.163265 Pd0.163265 -","- C160 H152 N24 O8 Pd8 -","49","12.25","","Shukla, Rahul K.; Nair, Akshay M.; Volla, Chandra M. R.","Pd(ii)-catalyzed β- and γ-C-(sp3)-H dienylation with allenyl acetates.","Chemical science","2023","14","4","955","962","10.1039/d2sc05188e","","x-ray","1.54184","CuKα","","0.0868","0.0843","","","0.2167","0.2221","","","","","","1.043","","","","has coordinates","281362","2023-03-04","17:53:46","" "1568221","5.189","0.005","7.915","0.004","10.643","0.003","80.745","0.013","82.34","0.04","88.94","0.05","427.6","0.5","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H20 N4 O4 -","- C18 H20 N4 O4 -","- C18 H20 N4 O4 -","1","1","","De, Soumi; Asthana, Deepak; Thirmal, Chinthakuntla; Keshri, Sudhir K.; Ghosh, Ram Krishna; Hundal, Geeta; Kumar, Raju; Singh, Satyendra; Chatterjee, Ratnamala; Mukhopadhyay, Pritam","A folded π-system with supramolecularly oriented dipoles: single-component piezoelectric relaxor with NLO activity.","Chemical science","2023","14","10","2547","2552","10.1039/d2sc06141d","","","0.71073","MoKα","","0.1421","0.0815","","","0.2062","0.2349","","","","","","1.017","","","","has coordinates","282281","2023-04-04","09:54:10","" "1568222","23.6279","0.0005","23.6779","0.0005","23.8819","0.0005","112.131","0.001","119.538","0.001","92.924","0.001","10292.9","0.4","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C320 H480 Cu75 S32 -","- C320 H480 Cu75 S32 -","- C320 H480 Cu75 S32 -","1","0.5","","Tang, Jie; Liu, Chong; Zhu, Chenyu; Sun, Keju; Wang, He; Yin, Wen; Xu, Chuting; Li, Yang; Wang, Weiguo; Wang, Li; Wu, Renan; Liu, Chao; Huang, Jiahui","High-nuclearity and thiol protected core-shell [Cu75(S-Adm)32]2+: distorted octahedra fixed to Cu15 core via strong cuprophilic interactions.","Nanoscale","2023","15","6","2843","2848","10.1039/d2nr05921e","","","1.54178","CuKα","","0.251","0.1854","","","0.453","0.5012","","","","","","1.594","","","","has coordinates","281491","2023-03-04","18:28:01","" "1568224","15.5542","0.0007","5.6674","0.0002","18.576","0.0008","90","","106.95","0.001","90","","1566.38","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 F4 S2 -","- C18 H10 F4 S2 -","- C72 H40 F16 S8 -","4","1","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","0.71073","GaKα","","0.036","0.0325","","","0.1226","0.132","","","","","","1.124","","","","has coordinates","283158","2023-05-05","01:00:53","" "1568225","4.812","0.0002","20.6876","0.001","11.0963","0.0006","90","","96.357","0.002","90","","1097.83","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F4 O4 S2 -","- C24 H18 F4 O4 S2 -","- C48 H36 F8 O8 S4 -","2","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0376","0.0331","","","0.0826","0.0861","","","","","","1.06","","","","has coordinates","283158","2023-05-05","01:01:03","" "1568226","4.8071","0.0003","20.699","0.0014","11.0964","0.0007","90","","96.329","0.002","90","","1097.39","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F4 O4 S2 -","- C24 H18 F4 O4 S2 -","- C48 H36 F8 O8 S4 -","2","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0389","0.0367","","","0.1053","0.1076","","","","","","1.064","","","","has coordinates","283158","2023-05-05","01:01:13","" "1568227","9.6077","0.0002","10.2863","0.0002","10.6653","0.0002","68.438","0.001","76.888","0.001","65.477","0.001","888.39","0.03","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H30 S6 -","- C42 H30 S6 -","- C42 H30 S6 -","1","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0333","0.0313","","","0.0826","0.0845","","","","","","1.037","","","","has coordinates","283158","2023-05-05","01:01:17","" "1568228","9.6203","0.0003","14.1325","0.0005","14.9666","0.0005","76.293","0.001","88.135","0.002","88.84","0.002","1975.68","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 F2 S4 -","- C30 H20 F2 S4 -","- C90 H60 F6 S12 -","3","1.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0356","0.0316","","","0.0857","0.0889","","","","","","1.044","","","","has coordinates","283158","2023-05-05","01:01:30","" "1568229","15.1661","0.0008","4.8806","0.0003","11.4983","0.0006","90","","93.913","0.002","90","","849.12","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F4 S2 -","- C20 H14 F4 S2 -","- C40 H28 F8 S4 -","2","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0317","0.0294","","","0.0766","0.0784","","","","","","1.044","","","","has coordinates","283158","2023-05-05","01:01:34","" "1568230","15.5305","0.0008","5.6743","0.0003","18.5471","0.0009","90","","106.918","0.002","90","","1563.72","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 F4 S2 -","- C18 H10 F4 S2 -","- C72 H40 F16 S8 -","4","1","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.044","0.0396","","","0.1161","0.1262","","","","","","0.89","","","","has coordinates","283158","2023-05-05","01:01:34","" "1568231","4.8077","0.0002","20.6905","0.0009","11.0959","0.0005","90","","96.412","0.002","90","","1096.85","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F4 O4 S2 -","- C24 H18 F4 O4 S2 -","- C48 H36 F8 O8 S4 -","2","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0401","0.0349","","","0.0863","0.0903","","","","","","1.055","","","","has coordinates","283158","2023-05-05","01:01:34","" "1568232","21.0773","0.0006","21.0773","0.0006","7.9829","0.0003","90","","90","","120","","3071.29","0.17","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C48 H42 S6 -","- C48 H42 S6 -","- C144 H126 S18 -","3","0.166667","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0378","0.0316","","","0.0867","0.0896","","","","","","1.1","","","","has coordinates","283158","2023-05-05","01:01:34","" "1568233","20.7715","0.0012","6.2243","0.0003","22.3727","0.0012","90","","94.032","0.003","90","","2885.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 O12 S6 -","- C60 H54 O12 S6 -","- C120 H108 O24 S12 -","2","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0703","0.0571","","","0.1562","0.1655","","","","","","1.066","","","","has coordinates,has disorder","283158","2023-05-05","01:01:34","" "1568234","5.6192","0.0005","8.2941","0.0008","21.138","0.002","79.178","0.004","84.757","0.004","89.326","0.004","963.58","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 F2 O8 S4 -","- C42 H36 F2 O8 S4 -","- C42 H36 F2 O8 S4 -","1","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0608","0.0479","","","0.1099","0.1183","","","","","","1.055","","","","has coordinates","283158","2023-05-05","01:01:34","" "1568235","12.4505","0.0005","14.978","0.0006","21.6769","0.0008","92.868","0.002","98.081","0.001","91.753","0.001","3994.3","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H42 S6 -","- C48 H42 S6 -","- C192 H168 S24 -","4","2","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.051","0.0423","","","0.1052","0.1118","","","","","","1.028","","","","has coordinates","283158","2023-05-05","01:01:34","" "1568236","42.573","0.005","42.573","0.005","42.573","0.005","90","","90","","90","","77162","16","120","","120","","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C216 H72 Au18 Cu32 F66 S36 -","- C216 H72 Au18 Cu32 F66 S36 -","- C1728 H576 Au144 Cu256 F528 S288 -","8","0.0416667","","Tang, Li; Wang, Bin; Wang, Ru; Wang, Shuxin","Alloying and dealloying of Au18Cu32 nanoclusters at precise locations via controlling the electronegativity of substituent groups on thiol ligands.","Nanoscale","2023","15","4","1602","1608","10.1039/d2nr05401a","","x-ray","1.54186","CuKα","","0.071","0.0554","","","0.1826","0.1976","","","","","","1.066","","","","has coordinates,has disorder","281490","2023-03-04","18:27:49","" "1568237","21.3034","0.0006","21.5883","0.0007","21.9884","0.0007","111.776","0.002","118.542","0.002","96.201","0.002","7728.8","0.5","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C252 H252 Au20.31 Cu29.69 O36 S36 -","- C252 H252 Au20.312 Cu29.688 O36 S36 -","- C252 H252 Au20.312 Cu29.688 O36 S36 -","1","0.5","","Tang, Li; Wang, Bin; Wang, Ru; Wang, Shuxin","Alloying and dealloying of Au18Cu32 nanoclusters at precise locations via controlling the electronegativity of substituent groups on thiol ligands.","Nanoscale","2023","15","4","1602","1608","10.1039/d2nr05401a","","","1.54186","CuKα","","0.1201","0.09","","","0.2464","0.2691","","","","","","1.057","","","","has coordinates,has disorder","281490","2023-03-04","18:27:49","" "1568238","25.255","0.002","9.038","0.0006","16.9105","0.0017","90","","120.591","0.005","90","","3322.7","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H34 Cl3 N2 Si2 -","- C35 H34 Cl3 N2 Si2 -","- C140 H136 Cl12 N8 Si8 -","4","0.5","","Zhang, Sutao; Han, Yuxi; He, Jianghua; Zhang, Yuetao","Synthesis of fluorescent poly(silyl indole)s via borane-catalyzed C–H silylation of indoles","Polymer Chemistry","2023","14","4","492","499","10.1039/D2PY01470J","","","0.71073","MoKα","","0.0369","0.0318","","","0.0811","0.0858","","","","","","1.046","","","","has coordinates","281607","2023-03-04","18:47:11","" "1568239","8.4884","0.0006","11.5493","0.0009","15.4564","0.0012","89.802","0.002","82.731","0.002","77.808","0.002","1468.77","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H36 N2 Si2 -","- C34 H36 N2 Si2 -","- C68 H72 N4 Si4 -","2","1","","Zhang, Sutao; Han, Yuxi; He, Jianghua; Zhang, Yuetao","Synthesis of fluorescent poly(silyl indole)s via borane-catalyzed C–H silylation of indoles","Polymer Chemistry","2023","14","4","492","499","10.1039/D2PY01470J","","","0.71073","MoKα","","0.0834","0.0484","","","0.1039","0.1178","","","","","","1.01","","","","has coordinates","281607","2023-03-04","18:47:11","" "1568240","21.779","0.003","3.8696","0.0004","24.33","0.003","90","","90","","90","","2050.4","0.4","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C7 H8 N4 O3 Se -","- C7 H8 N4 O3 Se -","- C56 H64 N32 O24 Se8 -","8","2","","Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Chalcogen bonding in copper(II)-mediated synthesis.","Faraday discussions","2023","244","0","77","95","10.1039/d2fd00160h","","","0.71073","MoKα","","0.0466","0.0421","","","0.0886","0.0903","","","","","","1.11","","","","has coordinates","286135","2023-09-05","19:55:21","" "1568241","5.4742","0.0015","7.767","0.002","11.921","0.004","73.52","0.008","79.658","0.008","70.146","0.007","455.2","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H8 Br2 Cu N8 O2 Se2 -","- C10 H8 Br2 Cu N8 O2 Se2 -","- C10 H8 Br2 Cu N8 O2 Se2 -","1","0.5","","Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Chalcogen bonding in copper(II)-mediated synthesis.","Faraday discussions","2023","244","0","77","95","10.1039/d2fd00160h","","","0.71073","MoKα","","0.0904","0.0506","","","0.0894","0.1013","","","","","","1.06","","","","has coordinates","286135","2023-09-05","19:55:21","" "1568242","8.127","0.0008","13.0444","0.0015","14.448","0.0017","90","","99.666","0.004","90","","1509.9","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Br4 Cu2 N2 O2 Se2 -","- C24 H22 Br4 Cu2 N2 O2 Se2 -","- C48 H44 Br8 Cu4 N4 O4 Se4 -","2","0.5","","Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Chalcogen bonding in copper(II)-mediated synthesis.","Faraday discussions","2023","244","0","77","95","10.1039/d2fd00160h","","","0.71073","MoKα","","0.0558","0.0381","","","0.0915","0.1001","","","","","","1.068","","","","has coordinates","286135","2023-09-05","19:55:21","" "1568243","8.2849","0.0005","11.2981","0.0009","12.3104","0.0009","83.249","0.003","81.394","0.003","81.805","0.003","1122.23","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H46 Br2 Cu2 N4 O6 Se2 -","- C44 H46 Br2 Cu2 N4 O6 Se2 -","- C44 H46 Br2 Cu2 N4 O6 Se2 -","1","0.5","","Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Chalcogen bonding in copper(II)-mediated synthesis.","Faraday discussions","2023","244","0","77","95","10.1039/d2fd00160h","","","0.71073","MoKα","","0.0429","0.0313","","","0.0774","0.0833","","","","","","1.032","","","","has coordinates","286135","2023-09-05","19:55:21","" "1568244","12.2556","0.0002","7.1074","0.0001","14.0867","0.0003","90","","98.156","0.002","90","","1214.62","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","S- ClMBA-Sn-Cl","","- C16 H22 Cl8 N2 Sn -","- C16 H22 Cl8 N2 Sn -","- C32 H44 Cl16 N4 Sn2 -","2","1","","Han, Xiao; Cheng, Puxin; Shi, Rongchao; Zheng, Yongshen; Qi, Siming; Xu, Jialiang; Bu, Xian-He","Linear optical afterglow and nonlinear optical harmonic generation from chiral tin(IV) halides: the role of lattice distortions.","Materials horizons","2023","10","3","1005","1011","10.1039/d2mh01429g","","x-ray","0.71073","MoKα","","0.0166","0.016","","","0.0362","0.0364","","","","","","1.035","","","","has coordinates","283514","2023-05-05","03:38:34","" "1568245","13.9427","0.0007","7.1499","0.0003","12.4112","0.0006","90","","109.933","0.005","90","","1163.14","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","rac-FMBA-SnCl","","- C16 H22 Cl6 F2 N2 Sn -","- C16 H22 Cl6 F2 N2 Sn -","- C32 H44 Cl12 F4 N4 Sn2 -","2","0.5","","Han, Xiao; Cheng, Puxin; Shi, Rongchao; Zheng, Yongshen; Qi, Siming; Xu, Jialiang; Bu, Xian-He","Linear optical afterglow and nonlinear optical harmonic generation from chiral tin(IV) halides: the role of lattice distortions.","Materials horizons","2023","10","3","1005","1011","10.1039/d2mh01429g","","x-ray","1.54184","CuKα","","0.0543","0.0502","","","0.1339","0.137","","","","","","1.074","","","","has coordinates","283514","2023-05-05","03:38:34","" "1568246","12.242","0.0001","7.1142","0.0001","14.0909","0.0001","90","","98.195","0.001","90","","1214.67","0.02","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","R-ClMBA-SnCl","","- C16 H22 Cl8 N2 Sn -","- C16 H22 Cl8 N2 Sn -","- C32 H44 Cl16 N4 Sn2 -","2","1","","Han, Xiao; Cheng, Puxin; Shi, Rongchao; Zheng, Yongshen; Qi, Siming; Xu, Jialiang; Bu, Xian-He","Linear optical afterglow and nonlinear optical harmonic generation from chiral tin(IV) halides: the role of lattice distortions.","Materials horizons","2023","10","3","1005","1011","10.1039/d2mh01429g","","x-ray","1.54184","CuKα","","0.0338","0.0309","","","0.0828","0.0839","","","","","","1.003","","","","has coordinates","283514","2023-05-05","03:38:34","" "1568247","12.2505","0.0002","7.1627","0.0001","14.0193","0.0002","90","","110.504","0.002","90","","1152.21","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","R-FMBA-Sn-Cl","","- C16 H22 Cl6 F2 N2 Sn -","- C16 H22 Cl6 F2 N2 Sn -","- C32 H44 Cl12 F4 N4 Sn2 -","2","1","","Han, Xiao; Cheng, Puxin; Shi, Rongchao; Zheng, Yongshen; Qi, Siming; Xu, Jialiang; Bu, Xian-He","Linear optical afterglow and nonlinear optical harmonic generation from chiral tin(IV) halides: the role of lattice distortions.","Materials horizons","2023","10","3","1005","1011","10.1039/d2mh01429g","","x-ray","1.54184","CuKα","","0.0417","0.0412","","","0.1098","0.1101","","","","","","1.054","","","","has coordinates","283514","2023-05-05","03:38:34","" "1568248","12.2157","0.0011","7.1438","0.0005","13.9697","0.0015","90","","110.521","0.011","90","","1141.7","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","S-F MBA-Sn-Cl","","- C16 H22 Cl6 F2 N2 Sn -","- C16 H22 Cl6 F2 N2 Sn -","- C32 H44 Cl12 F4 N4 Sn2 -","2","1","","Han, Xiao; Cheng, Puxin; Shi, Rongchao; Zheng, Yongshen; Qi, Siming; Xu, Jialiang; Bu, Xian-He","Linear optical afterglow and nonlinear optical harmonic generation from chiral tin(IV) halides: the role of lattice distortions.","Materials horizons","2023","10","3","1005","1011","10.1039/d2mh01429g","","x-ray","0.71073","MoKα","","0.0222","0.0209","","","0.0481","0.0486","","","","","","1.072","","","","has coordinates","283514","2023-05-05","03:38:34","" "1568249","14.1247","0.0002","7.1094","0.0001","12.3083","0.0002","90","","97.523","0.001","90","","1225.34","0.03","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","rac-ClMBA-SnCl","","- C16 H22 Cl8 N2 Sn -","- C16 H22 Cl8 N2 Sn -","- C32 H44 Cl16 N4 Sn2 -","2","0.5","","Han, Xiao; Cheng, Puxin; Shi, Rongchao; Zheng, Yongshen; Qi, Siming; Xu, Jialiang; Bu, Xian-He","Linear optical afterglow and nonlinear optical harmonic generation from chiral tin(IV) halides: the role of lattice distortions.","Materials horizons","2023","10","3","1005","1011","10.1039/d2mh01429g","","x-ray","1.54184","CuKα","","0.0736","0.0723","","","0.1945","0.1956","","","","","","1.187","","","","has coordinates","283514","2023-05-05","03:38:34","" "1568250","39.4123","0.0018","31.761","0.0017","41.134","0.002","90","","116.515","0.002","90","","46075","4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C132.65 H133.3 Ag2 B2 Cl1.3 N12 O6 -","- C132.65 H133.3 Ag2 B2 Cl1.3 N12 O6 -","- C2122.4 H2132.8 Ag32 B32 Cl20.8 N192 O96 -","16","2","","Ayme, Jean-François; Bruchmann, Bernd; Karmazin, Lydia; Kyritsakas, Nathalie","Transient self-assembly of metal-organic complexes.","Chemical science","2023","14","5","1244","1251","10.1039/d2sc06374c","","","0.71073","MoKα","","0.0741","0.05","","","0.1206","0.1375","","","","","","1.033","","","","has coordinates,has disorder","283155","2023-05-05","00:59:34","" "1568251","17.5943","0.0009","21.9079","0.0009","21.0813","0.001","90","","104.382","0.003","90","","7871.2","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H88 Ag2 B2 N8 O4 -","- C96 H88 Ag2 B2 N8 O4 -","- C384 H352 Ag8 B8 N32 O16 -","4","0.5","","Ayme, Jean-François; Bruchmann, Bernd; Karmazin, Lydia; Kyritsakas, Nathalie","Transient self-assembly of metal-organic complexes.","Chemical science","2023","14","5","1244","1251","10.1039/d2sc06374c","","","0.71073","MoKα","","0.0668","0.0361","","","0.0827","0.0982","","","","","","1.017","","","","has coordinates","283155","2023-05-05","00:59:37","" "1568252","13.8231","0.0004","20.1276","0.0006","16.7673","0.0004","90","","90","","90","","4665.1","0.2","100","0.2","100","0.2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C25 H18 Cl2 N3 Zn -","- C25 H18 Cl2 N3 Zn -","- C200 H144 Cl16 N24 Zn8 -","8","0.5","","Ngue, Chin May; Ho, Kuan Fu; Sainbileg, Batjargal; Batsaikhan, Erdembayalag; Hayashi, Michitoshi; Lee, Kuei Yi; Chen, Ruei San; Leung, Man Kit","Conductivity and photoconductivity in a two-dimensional zinc bis(triarylamine) coordination polymer.","Chemical science","2023","14","5","1320","1328","10.1039/d2sc06085j","","","0.71073","MoKα","","0.0703","0.0556","","","0.1762","0.1913","","","","","","1.106","","","","has coordinates","281355","2023-03-04","17:51:35","" "1568253","15.0449","0.0002","16.2449","0.0002","26.5593","0.0003","90","","90","","90","","6491.17","0.14","173","0.14","173","0.14","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H50 N2 Zn -","- C34 H50 N2 Zn -","- C272 H400 N16 Zn8 -","8","1","","Parr, Joseph M.; Phanopoulos, Andreas; Vickneswaran, Aaranjah; Crimmin, Mark R.","Understanding the role of ring strain in β-alkyl migration at Mg and Zn centres.","Chemical science","2023","14","6","1590","1597","10.1039/d2sc06288g","","x-ray","1.54184","CuKα","","0.0414","0.0352","","","0.0941","0.1009","","","","","","1.039","","","","has coordinates","281370","2023-03-04","17:56:17","" "1568254","10.7471","0.0007","21.2654","0.0008","13.8275","0.0007","90","","93.143","0.004","90","","3155.4","0.3","173.05","0.1","173.05","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H48 N2 Zn -","- C33 H48 N2 Zn -","- C132 H192 N8 Zn4 -","4","1","","Parr, Joseph M.; Phanopoulos, Andreas; Vickneswaran, Aaranjah; Crimmin, Mark R.","Understanding the role of ring strain in β-alkyl migration at Mg and Zn centres.","Chemical science","2023","14","6","1590","1597","10.1039/d2sc06288g","","x-ray","0.71073","MoKα","","0.072","0.0457","","","0.1169","0.1399","","","","","","1.091","","","","has coordinates,has disorder","281370","2023-03-04","17:56:17","" "1568255","12.4022","0.0004","15.979","0.0004","31.6956","0.0007","83.997","0.002","83.924","0.002","68.783","0.002","5807.7","0.3","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C62 H90 N4 Zn2 -","- C62 H90 N4 Zn2 -","- C248 H360 N16 Zn8 -","4","2","","Parr, Joseph M.; Phanopoulos, Andreas; Vickneswaran, Aaranjah; Crimmin, Mark R.","Understanding the role of ring strain in β-alkyl migration at Mg and Zn centres.","Chemical science","2023","14","6","1590","1597","10.1039/d2sc06288g","","x-ray","1.54184","CuKα","","0.0567","0.0426","","","0.1101","0.1232","","","","","","1.028","","","","has coordinates,has disorder","281370","2023-03-04","17:56:17","" "1568256","11.2164","0.0003","20.8079","0.0005","14.1171","0.0004","90","","96.264","0.002","90","","3275.12","0.15","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H52 N2 Zn -","- C35 H52 N2 Zn -","- C140 H208 N8 Zn4 -","4","1","","Parr, Joseph M.; Phanopoulos, Andreas; Vickneswaran, Aaranjah; Crimmin, Mark R.","Understanding the role of ring strain in β-alkyl migration at Mg and Zn centres.","Chemical science","2023","14","6","1590","1597","10.1039/d2sc06288g","","x-ray","1.54184","CuKα","","0.0964","0.0791","","","0.2064","0.2418","","","","","","1.047","","","","has coordinates,has disorder","281370","2023-03-04","17:56:17","" "1568257","7.7662","0.0011","20.908","0.003","7.2899","0.0011","90","","90.463","0.003","90","","1183.7","0.3","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 B F2 N2 O -","- C14 H9 B F2 N2 O -","- C56 H36 B4 F8 N8 O4 -","4","1","","Gai, Lizhi; Zhang, Ruijing; Shi, Xiuguang; Ni, Zhigang; Wang, Sisi; Zhang, Jun-Long; Lu, Hua; Guo, Zijian","BOINPYs: facile synthesis and photothermal properties triggered by photoinduced nonadiabatic decay.","Chemical science","2023","14","6","1434","1442","10.1039/d2sc06435a","","","0.71073","MoKα","","0.118","0.0733","","","0.1974","0.2239","","","","","","1.023","","","","has coordinates","281372","2023-03-04","17:56:37","" "1568258","7.763","0.003","24.877","0.01","7.273","0.003","90","","90.525","0.012","90","","1404.5","1","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 B F2 N2 O S -","- C16 H9 B F2 N2 O S -","- C64 H36 B4 F8 N8 O4 S4 -","4","1","","Gai, Lizhi; Zhang, Ruijing; Shi, Xiuguang; Ni, Zhigang; Wang, Sisi; Zhang, Jun-Long; Lu, Hua; Guo, Zijian","BOINPYs: facile synthesis and photothermal properties triggered by photoinduced nonadiabatic decay.","Chemical science","2023","14","6","1434","1442","10.1039/d2sc06435a","","","0.71073","MoKα","","0.0977","0.0807","","","0.214","0.2198","","","","","","1.125","","","","has coordinates","281372","2023-03-04","17:56:37","" "1568259","17.675","0.003","17.675","0.003","29.023","0.005","90","","90","","90","","9067","3","302.45","","302.45","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C30 H21 B N2 O -","- C30 H21 B N2 O -","- C480 H336 B16 N32 O16 -","16","1","","Gai, Lizhi; Zhang, Ruijing; Shi, Xiuguang; Ni, Zhigang; Wang, Sisi; Zhang, Jun-Long; Lu, Hua; Guo, Zijian","BOINPYs: facile synthesis and photothermal properties triggered by photoinduced nonadiabatic decay.","Chemical science","2023","14","6","1434","1442","10.1039/d2sc06435a","","","0.71073","MoKα","","0.1405","0.0643","","","0.1667","0.2155","","","","","","1.018","","","","has coordinates","281372","2023-03-04","17:56:37","" "1568260","6.715","0.003","7.437","0.002","24.396","0.009","86.48","0.02","82.188","0.017","68.301","0.012","1121.4","0.7","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H41 Br N2 -","- C21 H41 Br N2 -","- C42 H82 Br2 N4 -","2","1","","Bellia, Sophia A.; Metzler, Matthew; Huynh, Marissa; Zeller, Matthias; Mirjafari, Arsalan; Cohn, Pamela; Hillesheim, Patrick C.","Bridging the crystal and solution structure of a series of lipid-inspired ionic liquids.","Soft matter","2023","19","4","749","765","10.1039/d2sm01478e","","","1.54178","CuKα","","0.0663","0.0628","","","0.1676","0.1693","","","","","","1.196","","","","has coordinates","281616","2023-03-04","18:49:42","" "1568261","27.66","0.009","9.968","0.0019","8.286","0.0016","90","","91.613","0.012","90","","2283.7","1","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H41 I N2 -","- C21 H41 I N2 -","- C84 H164 I4 N8 -","4","1","","Bellia, Sophia A.; Metzler, Matthew; Huynh, Marissa; Zeller, Matthias; Mirjafari, Arsalan; Cohn, Pamela; Hillesheim, Patrick C.","Bridging the crystal and solution structure of a series of lipid-inspired ionic liquids.","Soft matter","2023","19","4","749","765","10.1039/d2sm01478e","","","1.54178","CuKα","","0.1194","0.097","","","0.2727","0.2966","","","","","","1.107","","","","has coordinates","281616","2023-03-04","18:49:42","" "1568262","7.0531","0.0002","15.7762","0.0005","27.107","0.0009","96.4858","0.0018","95.9509","0.0017","98.1327","0.0017","2944.75","0.16","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H41 F6 N3 O4 S2 -","- C23 H41 F6 N3 O4 S2 -","- C92 H164 F24 N12 O16 S8 -","4","2","","Bellia, Sophia A.; Metzler, Matthew; Huynh, Marissa; Zeller, Matthias; Mirjafari, Arsalan; Cohn, Pamela; Hillesheim, Patrick C.","Bridging the crystal and solution structure of a series of lipid-inspired ionic liquids.","Soft matter","2023","19","4","749","765","10.1039/d2sm01478e","","","1.54178","CuKα","","0.1068","0.089","","","0.2519","0.2612","","","","","","1.05","","","","has coordinates,has disorder","281616","2023-03-04","18:49:42","" "1568263","10.6143","0.0003","31.7341","0.0006","5.4746","0.0001","90","","96.25","0.002","90","","1833.08","0.07","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","","Zhao, Hongping; Yuan, Weiming","Three-component reductive conjugate addition/aldol tandem reaction enabled by nickel/photoredox dual catalysis.","Chemical science","2023","14","6","1485","1490","10.1039/d2sc06303d","","x-ray","1.54184","CuKα","","0.0687","0.0614","","","0.1567","0.1623","","","","","","1.061","","","","has coordinates","281376","2023-03-04","17:57:18","" "1568264","9.5665","0.0003","10.3386","0.0002","12.4055","0.0003","93.312","0.002","101.472","0.002","98.72","0.002","1183.64","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H33 N O2 -","- C29 H33 N O2 -","- C58 H66 N2 O4 -","2","1","","Zhao, Hongping; Yuan, Weiming","Three-component reductive conjugate addition/aldol tandem reaction enabled by nickel/photoredox dual catalysis.","Chemical science","2023","14","6","1485","1490","10.1039/d2sc06303d","","x-ray","1.54184","CuKα","","0.0375","0.0367","","","0.0938","0.0944","","","","","","1.048","","","","has coordinates","281376","2023-03-04","17:57:18","" "1568265","8.0904","0.0003","12.0393","0.0003","12.8065","0.0003","79.36","0.002","75.595","0.002","79.481","0.002","1175.11","0.06","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H33 N O2 -","- C29 H33 N O2 -","- C58 H66 N2 O4 -","2","1","","Zhao, Hongping; Yuan, Weiming","Three-component reductive conjugate addition/aldol tandem reaction enabled by nickel/photoredox dual catalysis.","Chemical science","2023","14","6","1485","1490","10.1039/d2sc06303d","","x-ray","1.54184","CuKα","","0.0352","0.0345","","","0.0893","0.0897","","","","","","1.04","","","","has coordinates","281376","2023-03-04","17:57:18","" "1568266","9.7199","0.0003","17.3733","0.0006","8.5275","0.0003","90","","106.832","0.001","90","","1378.32","0.08","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","1","","Wang, Siyuan; Zhou, Yuqiao; Xiao, Wanlong; Li, Zegong; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of complex tricyclo[3.2.2.0]nonenes from racemic norcaradienes: kinetic resolution via Diels-Alder reaction.","Chemical science","2023","14","7","1844","1851","10.1039/d2sc06490a","","","0.71073","MoKα","","0.0564","0.0402","","","0.0881","0.1102","","","","","","1.087","","","","has coordinates","281379","2023-03-04","17:59:37","" "1568267","8.7024","0.0003","13.0704","0.0005","18.7294","0.0007","90","","90","","90","","2130.35","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 F O3 -","- C26 H23 F O3 -","- C104 H92 F4 O12 -","4","1","","Wang, Siyuan; Zhou, Yuqiao; Xiao, Wanlong; Li, Zegong; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of complex tricyclo[3.2.2.0]nonenes from racemic norcaradienes: kinetic resolution via Diels-Alder reaction.","Chemical science","2023","14","7","1844","1851","10.1039/d2sc06490a","","","1.54178","CuKα","","0.0281","0.0273","","","0.0668","0.0674","","","","","","1.074","","","","has coordinates","281379","2023-03-04","17:59:37","" "1568268","9.9702","0.0001","9.9702","0.0001","48.7176","0.0012","90","","90","","90","","4842.77","0.14","173","2","173","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C29 H30 O5 -","- C29 H30 O5 -","- C232 H240 O40 -","8","1","","Wang, Siyuan; Zhou, Yuqiao; Xiao, Wanlong; Li, Zegong; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of complex tricyclo[3.2.2.0]nonenes from racemic norcaradienes: kinetic resolution via Diels-Alder reaction.","Chemical science","2023","14","7","1844","1851","10.1039/d2sc06490a","","","1.54178","CuKα","","0.0279","0.0274","","","0.07","0.0704","","","","","","1.064","","","","has coordinates,has disorder","281379","2023-03-04","17:59:37","" "1568269","11.4334","0.0007","13.0191","0.0008","41.707","0.003","90","","90","","90","","6208.2","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H92 Cl2 Co N4 O15 -","- C57 H92 Cl2 Co N4 O15 -","- C228 H368 Cl8 Co4 N16 O60 -","4","1","","Wang, Siyuan; Zhou, Yuqiao; Xiao, Wanlong; Li, Zegong; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of complex tricyclo[3.2.2.0]nonenes from racemic norcaradienes: kinetic resolution via Diels-Alder reaction.","Chemical science","2023","14","7","1844","1851","10.1039/d2sc06490a","","","0.71073","MoKα","","0.0463","0.04","","","0.1012","0.1059","","","","","","1.05","","","","has coordinates,has disorder","281379","2023-03-04","17:59:37","" "1568270","15.9159","0.0003","21.273","0.0004","18.676","0.0003","90","","107.116","0.001","90","","6043.25","0.19","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H68 N4 O8 -","- C60 H68 N4 O8 -","- C240 H272 N16 O32 -","4","1","","Lee, Areum; Yang, Ju Ho; Oh, Ju Hyun; Hay, Benjamin P.; Lee, Kyounghoon; Lynch, Vincent M.; Sessler, Jonathan L.; Kim, Sung Kuk","Cyclo[2]carbazole[2]pyrrole: a preorganized calix[4]pyrrole analogue.","Chemical science","2023","14","5","1218","1226","10.1039/d2sc06376j","","","0.71073","MoKα","","0.0894","0.0631","","","0.1663","0.1846","","","","","","1.042","","","","has coordinates,has disorder","281356","2023-03-04","17:51:48","" "1568271","17.4296","0.0003","29.0372","0.0005","18.0368","0.0002","90","","91.2569","0.0012","90","","9126.4","0.2","100","0.6","100","0.6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C96 H148 N6 O9 -","- C96 H148 N6 O9 -","- C384 H592 N24 O36 -","4","1","","Lee, Areum; Yang, Ju Ho; Oh, Ju Hyun; Hay, Benjamin P.; Lee, Kyounghoon; Lynch, Vincent M.; Sessler, Jonathan L.; Kim, Sung Kuk","Cyclo[2]carbazole[2]pyrrole: a preorganized calix[4]pyrrole analogue.","Chemical science","2023","14","5","1218","1226","10.1039/d2sc06376j","","x-ray","1.54184","CuKα","","0.0496","0.0422","","","0.1081","0.1121","","","","","","1.035","","","","has coordinates,has disorder","281356","2023-03-04","17:51:48","" "1568272","8.6562","0.0007","23.5435","0.0018","11.2698","0.0009","90","","97.609","0.004","90","","2276.5","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,2S,3R)-2-methyl-3-(1-methyl-1H-indol-5-yl)-2-phenylcyclopropyl 3,5-dibromobenzoate","","- C26 H21 Br2 N O2 -","- C26 H21 Br2 N O2 -","- C104 H84 Br8 N4 O8 -","4","2","","Teresa, Javier; Velado, Marina; Fernández de la Pradilla, Roberto; Viso, Alma; Lozano, Blanca; Tortosa, Mariola","Enantioselective Suzuki cross-coupling of 1,2-diboryl cyclopropanes.","Chemical science","2023","14","6","1575","1581","10.1039/d2sc05789a","","","0.71073","MoKα","","0.0497","0.0319","","","0.0627","0.0698","","","","","","1.006","","","","has coordinates","283162","2023-05-05","01:04:03","" "1568273","9.0911","0.0008","15.1646","0.001","10.8715","0.0008","90","","90.782","0.006","90","","1498.6","0.2","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","SQ1a","","- C32 H42 O4 -","- C32 H42 O4 -","- C64 H84 O8 -","2","0.5","","Maeda, Takeshi; Oka, Taishi; Sakamaki, Daisuke; Fujiwara, Hideki; Suzuki, Naoya; Yagi, Shigeyuki; Konishi, Tatsuki; Kamada, Kenji","Unveiling a new aspect of oxocarbons: open-shell character of 4- and 5-membered oxocarbon derivatives showing near-infrared absorption.","Chemical science","2023","14","8","1978","1985","10.1039/d2sc06612b","","","0.71075","MoKα","","","0.0466","","","","0.0548","","","","","","1.13","","","","has coordinates","281343","2023-03-04","17:47:32","" "1568274","10.8829","0.001","11.8981","0.0011","14.5843","0.0012","100.894","0.007","93.914","0.007","104.037","0.007","1786.1","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","CR1b","","- C34 H43 Cl3 O3 S2 -","- C34 H43 Cl3 O3 S2 -","- C68 H86 Cl6 O6 S4 -","2","1","","Maeda, Takeshi; Oka, Taishi; Sakamaki, Daisuke; Fujiwara, Hideki; Suzuki, Naoya; Yagi, Shigeyuki; Konishi, Tatsuki; Kamada, Kenji","Unveiling a new aspect of oxocarbons: open-shell character of 4- and 5-membered oxocarbon derivatives showing near-infrared absorption.","Chemical science","2023","14","8","1978","1985","10.1039/d2sc06612b","","","0.71075","MoKα","","","0.0897","","","","0.0926","","","","","","1.151","","","","has coordinates","281343","2023-03-04","17:47:32","" "1568275","13.5881","0.0012","14.1008","0.001","14.4563","0.0012","89.576","0.006","67.544","0.005","67.336","0.005","2330.2","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","","SQ1b","","- C48 H63 O3 S3 -","- C48 H63 O3 S3 -","- C96 H126 O6 S6 -","2","1","","Maeda, Takeshi; Oka, Taishi; Sakamaki, Daisuke; Fujiwara, Hideki; Suzuki, Naoya; Yagi, Shigeyuki; Konishi, Tatsuki; Kamada, Kenji","Unveiling a new aspect of oxocarbons: open-shell character of 4- and 5-membered oxocarbon derivatives showing near-infrared absorption.","Chemical science","2023","14","8","1978","1985","10.1039/d2sc06612b","","","0.71075","MoKα","","","0.0746","","","","0.0893","","","","","","1.113","","","","has coordinates","281343","2023-03-04","17:47:32","" "1568276","10.29","0.0006","26.6421","0.0015","20.4572","0.0012","90","","101.477","0.003","90","","5496.1","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H89 Cu N5 O4 -","- C56 H89 Cu N5 O4 -","- C224 H356 Cu4 N20 O16 -","4","1","","Bower, Jamey K.; Reese, Maxwell S.; Mazin, Ilia M.; Zarnitsa, Lina M.; Cypcar, Andrew D.; Moore, Curtis E.; Sokolov, Alexander Yu; Zhang, Shiyu","C(sp3)-H cyanation by a formal copper(iii) cyanide complex.","Chemical science","2023","14","5","1301","1307","10.1039/d2sc06573h","","x-ray","0.71073","MoKα","K-L~3~","0.0568","0.0379","","","0.0906","0.0987","","","","","","1.035","","","","has coordinates,has disorder","281350","2023-03-04","17:50:28","" "1568277","13.0154","0.0003","15.4677","0.0003","22.5915","0.0005","90","","97.887","0.001","90","","4505.06","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46.35 H66.39 Cu N4 O5.15 -","- C46.343 H66.38 Cu N4 O5.152 -","- C185.372 H265.52 Cu4 N16 O20.608 -","4","1","","Bower, Jamey K.; Reese, Maxwell S.; Mazin, Ilia M.; Zarnitsa, Lina M.; Cypcar, Andrew D.; Moore, Curtis E.; Sokolov, Alexander Yu; Zhang, Shiyu","C(sp3)-H cyanation by a formal copper(iii) cyanide complex.","Chemical science","2023","14","5","1301","1307","10.1039/d2sc06573h","","x-ray","1.54178","CuKα","K-L~3~","0.0587","0.0525","","","0.1399","0.1487","","","","","","1.061","","","","has coordinates,has disorder","281350","2023-03-04","17:50:28","" "1568278","11.115","0.0006","7.4032","0.0005","41.998","0.003","90","","93.75","0.005","90","","3448.5","0.4","150","","150","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C32 H17 N5 -","- C32 H17 N5 -","- C192 H102 N30 -","6","3","","Chen, Jinqiu; Yang, Canglei; Ma, Shuang; Liu, Zhiqi; Xiang, Wenxin; Zhang, Jing","Polarization-induced nanohelixes of organic cocrystals from asymmetric components with dopant-induced chirality inversion.","Chemical science","2023","14","8","2091","2096","10.1039/d2sc05942h","","","1.54178","CuKα","","0.098","0.0684","","","0.1663","0.1892","","","","","","1.028","","","","has coordinates","281346","2023-03-04","17:49:01","" "1568279","7.023","0.01","9.909","0.014","11.109","0.014","65.89","0.06","74.66","0.05","73.28","0.04","666.2","1.6","296.83","","296.83","","","","","","","","","4","P 1","P 1","1","","","","- C36 H16 N6 O -","- C36 H16 N6 O -","- C36 H16 N6 O -","1","1","","Chen, Jinqiu; Yang, Canglei; Ma, Shuang; Liu, Zhiqi; Xiang, Wenxin; Zhang, Jing","Polarization-induced nanohelixes of organic cocrystals from asymmetric components with dopant-induced chirality inversion.","Chemical science","2023","14","8","2091","2096","10.1039/d2sc05942h","","","0.71076","MoKα","","0.1123","0.0842","","","0.1921","0.2096","","","","","","1.09","","","","has coordinates","281346","2023-03-04","17:49:01","" "1568280","13.2549","0.0003","11.5853","0.0004","17.1735","0.0004","90","","97.293","0.002","90","","2615.86","0.12","294.93","0.1","294.93","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H27 N O3 S -","- C32 H27 N O3 S -","- C128 H108 N4 O12 S4 -","4","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent cis- and trans-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes via ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","x-ray","1.54184","CuKα","","0.0687","0.0607","","","0.1639","0.1763","","","","","","1.033","","","","has coordinates","281378","2023-03-04","17:59:11","" "1568281","8.7448","0.0003","12.1996","0.0005","23.9382","0.001","90","","90","","90","","2553.8","0.17","301","2","301","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 N O3 S -","- C32 H27 N O3 S -","- C128 H108 N4 O12 S4 -","4","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent cis- and trans-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes via ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.0727","0.0389","","","0.0801","0.0915","","","","","","1.008","","","","has coordinates","281378","2023-03-04","17:59:11","" "1568282","7.9263","0.0006","10.6732","0.0011","31.221","0.003","90","","90","","90","","2641.3","0.4","300","2","300","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 N O3 S -","- C32 H27 N O3 S -","- C128 H108 N4 O12 S4 -","4","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent cis- and trans-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes via ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.1072","0.0493","","","0.0937","0.1168","","","","","","1.023","","","","has coordinates","281378","2023-03-04","17:59:11","" "1568283","11.0546","0.0003","11.54205","0.00018","18.2492","0.0004","90","","90","","90","","2328.47","0.09","292.9","0.1","292.9","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O3 S -","- C28 H25 N O3 S -","- C112 H100 N4 O12 S4 -","4","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent cis- and trans-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes via ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","x-ray","1.54184","CuKα","","0.0596","0.0564","","","0.1522","0.159","","","","","","1.049","","","","has coordinates","281378","2023-03-04","17:59:11","" "1568284","9.7335","0.001","12.7669","0.0013","10.7629","0.0011","90","","90.849","0.004","90","","1337.3","0.2","273","2","273.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H27 N O3 S -","- C33 H27 N O3 S -","- C66 H54 N2 O6 S2 -","2","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent cis- and trans-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes via ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.0738","0.054","","","0.1333","0.145","","","","","","1.027","","","","has coordinates","281378","2023-03-04","17:59:12","" "1568285","10.7659","0.0011","13.158","0.0015","27.887","0.003","90","","100.454","0.004","90","","3884.8","0.7","149","2","149","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O -","- C26 H21 N O -","- C208 H168 N8 O8 -","8","2","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent cis- and trans-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes via ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.1112","0.0681","","","0.1649","0.1963","","","","","","1.021","","","","has coordinates","281378","2023-03-04","17:59:12","" "1568286","11.084","0.0012","11.2741","0.001","27.234","0.003","90","","90","","90","","3403.2","0.6","161","2","161","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H28 I N O4 S -","- C33 H28 I N O4 S -","- C132 H112 I4 N4 O16 S4 -","4","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent cis- and trans-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes via ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.0555","0.0401","","","0.099","0.1024","","","","","","1.653","","","","has coordinates","281378","2023-03-04","17:59:12","" "1568287","11.6139","0.0007","13.4764","0.001","14.9925","0.001","92.051","0.003","93.362","0.003","94.406","0.003","2333.7","0.3","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 N O3 S -","- C28 H25 N O3 S -","- C112 H100 N4 O12 S4 -","4","2","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent cis- and trans-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes via ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.139","0.0603","","","0.1328","0.1605","","","","","","1.038","","","","has coordinates","281378","2023-03-04","17:59:12","" "1568288","17.6502","0.0016","17.6502","0.0016","20.387","0.003","90","","90","","90","","6351.2","1.2","173","","173","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C30 H45 N2 Sc Si2 -","- C30 H45 N2 Sc Si2 -","- C240 H360 N16 Sc8 Si16 -","8","1","","Wang, Yinran; Huang, Lin; Hou, Zhaomin; Guo, Fang","Polymerization of α-olefins and their copolymerization with ethylene by half-sandwich scandium catalysts with an N-heterocyclic carbene ligand","Polymer Chemistry","2023","14","7","828","838","10.1039/D2PY01526A","","","0.71073","MoKα","","0.0697","0.0609","","","0.1183","0.1212","","","","","","1.267","","","","has coordinates","281611","2023-03-04","18:48:16","" "1568289","10.3315","0.0008","17.5787","0.0012","18.0108","0.0013","90","","99.52","0.002","90","","3226","0.4","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H47 N2 Sc Si2 -","- C31 H47 N2 Sc Si2 -","- C124 H188 N8 Sc4 Si8 -","4","1","","Wang, Yinran; Huang, Lin; Hou, Zhaomin; Guo, Fang","Polymerization of α-olefins and their copolymerization with ethylene by half-sandwich scandium catalysts with an N-heterocyclic carbene ligand","Polymer Chemistry","2023","14","7","828","838","10.1039/D2PY01526A","","","0.71073","MoKα","","0.0802","0.0486","","","0.1016","0.1137","","","","","","1.037","","","","has coordinates,has disorder","281611","2023-03-04","18:48:16","" "1568290","11.6387","0.0008","17.0971","0.0012","19.0816","0.0012","90","","93.598","0.002","90","","3789.5","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H55 N2 Sc Si3 -","- C33 H55 N2 Sc Si3 -","- C132 H220 N8 Sc4 Si12 -","4","1","","Wang, Yinran; Huang, Lin; Hou, Zhaomin; Guo, Fang","Polymerization of α-olefins and their copolymerization with ethylene by half-sandwich scandium catalysts with an N-heterocyclic carbene ligand","Polymer Chemistry","2023","14","7","828","838","10.1039/D2PY01526A","","","0.71073","MoKα","","0.1212","0.0858","","","0.1375","0.1517","","","","","","1.187","","","","has coordinates","281611","2023-03-04","18:48:16","" "1568291","9.69861","0.00012","9.76722","0.00015","20.1618","0.0003","90","","98.7984","0.0012","90","","1887.42","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl2 N P -","- C20 H18 Cl2 N P -","- C80 H72 Cl8 N4 P4 -","4","1","","Tang, Chunlin; Song, Lijuan; Zhou, Kang; Ren, Peng; Zhao, Engui; He, Zikai","Manipulating D-A interaction to achieve stable photoinduced organic radicals in triphenylphosphine crystals.","Chemical science","2023","14","7","1871","1877","10.1039/d2sc05753k","","x-ray","1.54184","CuKα","","0.0512","0.0463","","","0.1265","0.1358","","","","","","1.075","","","","has coordinates","281381","2023-03-04","18:00:09","" "1568292","15.839","0.0004","10.3662","0.0003","19.8011","0.0005","90","","90","","90","","3251.15","0.15","150","2","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Cl3 P -","- C18 H12 Cl3 P -","- C144 H96 Cl24 P8 -","8","1","","Tang, Chunlin; Song, Lijuan; Zhou, Kang; Ren, Peng; Zhao, Engui; He, Zikai","Manipulating D-A interaction to achieve stable photoinduced organic radicals in triphenylphosphine crystals.","Chemical science","2023","14","7","1871","1877","10.1039/d2sc05753k","","","1.54178","CuKα","","0.032","0.0297","","","0.0783","0.08","","","","","","1.049","","","","has coordinates","281381","2023-03-04","18:00:09","" "1568293","9.8206","0.0003","10.8079","0.0003","11.4388","0.0003","84.15","0.002","67.715","0.003","79.756","0.002","1104.73","0.06","236","4","236","4","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cl6 N P -","- C20 H14 Cl6 N P -","- C40 H28 Cl12 N2 P2 -","2","1","","Tang, Chunlin; Song, Lijuan; Zhou, Kang; Ren, Peng; Zhao, Engui; He, Zikai","Manipulating D-A interaction to achieve stable photoinduced organic radicals in triphenylphosphine crystals.","Chemical science","2023","14","7","1871","1877","10.1039/d2sc05753k","","x-ray","0.71073","MoKα","","0.0706","0.0462","","","0.1219","0.1339","","","","","","1.082","","","","has coordinates","281381","2023-03-04","18:00:09","" "1568294","4.8136","0.0003","12.6603","0.0004","15.5459","0.0003","98.197","0.002","91.021","0.003","94.611","0.004","934.27","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H9 Cl6 P -","- C18 H9 Cl6 P -","- C36 H18 Cl12 P2 -","2","1","","Tang, Chunlin; Song, Lijuan; Zhou, Kang; Ren, Peng; Zhao, Engui; He, Zikai","Manipulating D-A interaction to achieve stable photoinduced organic radicals in triphenylphosphine crystals.","Chemical science","2023","14","7","1871","1877","10.1039/d2sc05753k","","x-ray","1.54184","CuKα","","0.0797","0.0691","","","0.212","0.2423","","","","","","1.1","","","","has coordinates","281381","2023-03-04","18:00:09","" "1568295","9.4252","0.0005","10.4766","0.0006","10.6229","0.0006","91.285","0.002","107.443","0.002","93.782","0.002","997.55","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cl4 N P -","- C20 H16 Cl4 N P -","- C40 H32 Cl8 N2 P2 -","2","1","","Tang, Chunlin; Song, Lijuan; Zhou, Kang; Ren, Peng; Zhao, Engui; He, Zikai","Manipulating D-A interaction to achieve stable photoinduced organic radicals in triphenylphosphine crystals.","Chemical science","2023","14","7","1871","1877","10.1039/d2sc05753k","","","1.54178","CuKα","","0.0536","0.0521","","","0.1413","0.1437","","","","","","1.053","","","","has coordinates","281381","2023-03-04","18:00:09","" "1568296","16.8845","0.0002","41.326","0.0006","14.1744","0.0003","90","","90","","90","","9890.5","0.3","223","0.1","223","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C31 H53 Co2 O19 V6 -","- C31 H53 Co2 O19 V6 -","- C248 H424 Co16 O152 V48 -","8","1","","Schreiber, Eric; Brennessel, William W.; Matson, Ellen M.","Regioselectivity of concerted proton-electron transfer at the surface of a polyoxovanadate cluster.","Chemical science","2023","14","6","1386","1396","10.1039/d2sc05928b","","x-ray","1.54184","CuKα","","0.1086","0.0854","","","0.2566","0.2815","","","","","","1.064","","","","has coordinates,has disorder","281375","2023-03-04","17:57:10","" "1568297","11.9826","0.0001","11.9965","0.0001","13.4313","0.0001","95.106","0.001","115.57","0.001","113.864","0.001","1509.23","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C43 H106 N2 O19 V6 -","- C43 H106 N2 O19 V6 -","- C43 H106 N2 O19 V6 -","1","0.5","","Schreiber, Eric; Brennessel, William W.; Matson, Ellen M.","Regioselectivity of concerted proton-electron transfer at the surface of a polyoxovanadate cluster.","Chemical science","2023","14","6","1386","1396","10.1039/d2sc05928b","","x-ray","1.54184","CuKα","","0.0378","0.0361","","","0.0935","0.0945","","","","","","1.078","","","","has coordinates,has disorder","281375","2023-03-04","17:57:10","" "1568298","16.8365","0.0011","18.0784","0.0013","20.746","0.0012","90","","90","","90","","6314.6","0.7","110.15","","110.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H50 F14 Fe6 N6 O20 -","- C36 H50 F14 Fe6 N6 O20 -","- C144 H200 F56 Fe24 N24 O80 -","4","1","","Gu, Yi-Ming; Yuan, You-You; Chen, Cai-Lin; Zhao, Sheng-Sheng; Sun, Tian-Jun; Han, Yu; Liu, Xiao-Wei; Lai, Zhiping; Wang, Shu-Dong","Fluorido-bridged robust metal-organic frameworks for efficient C2H2/CO2 separation under moist conditions.","Chemical science","2023","14","6","1472","1478","10.1039/d2sc06699h","","x-ray","0.71073","MoKα","","0.1092","0.0668","","","0.1487","0.1689","","","","","","1.034","","","","has coordinates","281371","2023-03-04","17:56:25","" "1568299","7.1992","0.0017","17.607","0.005","6.177","0.0014","90","","90","","90","","783","0.3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C4 H8 Cl3 N Ni -","- C4 H8 Cl3 N Ni -","- C16 H32 Cl12 N4 Ni4 -","4","0.5","","Ni, Hao-Fei; Ye, Lou-Kai; Zhuge, Peng-Cheng; Hu, Bo-Lan; Lou, Jia-Rui; Su, Chang-Yuan; Zhang, Zhi-Xu; Xie, Li-Yan; Fu, Da-Wei; Zhang, Yi","A nickel(ii)-based one-dimensional organic-inorganic halide perovskite ferroelectric with the highest Curie temperature.","Chemical science","2023","14","7","1781","1786","10.1039/d2sc05857j","","","0.71073","MoKα","","0.0399","0.0337","","","0.0587","0.0607","","","","","","1.081","","","","has coordinates","281380","2023-03-04","17:59:56","" "1568300","7.35","0.03","17.78","0.07","6.23","0.02","90","","90","","90","","814","5","453","2","453","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H8 Cl3 N Ni -","- C4 H11 Cl3 N Ni -","- C16 H44 Cl12 N4 Ni4 -","4","0.25","","Ni, Hao-Fei; Ye, Lou-Kai; Zhuge, Peng-Cheng; Hu, Bo-Lan; Lou, Jia-Rui; Su, Chang-Yuan; Zhang, Zhi-Xu; Xie, Li-Yan; Fu, Da-Wei; Zhang, Yi","A nickel(ii)-based one-dimensional organic-inorganic halide perovskite ferroelectric with the highest Curie temperature.","Chemical science","2023","14","7","1781","1786","10.1039/d2sc05857j","","","0.71073","MoKα","","0.0755","0.0612","","","0.1752","0.1863","","","","","","1.006","","","","has coordinates","281380","2023-03-04","17:59:57","" "1568301","18.202","0.004","29.004","0.006","29.977","0.006","90","","90","","90","","15826","6","80","2","80","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C164 H130 N19 O15 Pd2 -","- C164 H130 N19 O15 Pd2 -","- C656 H520 N76 O60 Pd8 -","4","0.5","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd2L4 cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","0.5636","synchrotron","","0.1489","0.117","","","0.3686","0.4027","","","","","","1.462","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52","" "1568302","30.02","0.004","30.02","0.004","29.369","0.006","90","","90","","90","","26467","7","100","2","100","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C161 H124.5 Cl2.5 N13.5 O13 Pd2 -","- C161 H124.5 Cl2.5 N13.5 O13 Pd2 -","- C1288 H996 Cl20 N108 O104 Pd16 -","8","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd2L4 cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","1.54178","CuKα","","0.0953","0.0891","","","0.2449","0.2527","","","","","","1.012","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52","" "1568303","21.804","0.004","25.207","0.005","28.839","0.006","90","","97.68","0.03","90","","15708","5","80","2","80","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C166 H138 F24 N12 O P4 Pd2 -","- C166 H138 F24 N12 O P4 Pd2 -","- C664 H552 F96 N48 O4 P16 Pd8 -","4","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd2L4 cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","0.5636","synchrotron","","0.1014","0.0911","","","0.2719","0.2823","","","","","","1.031","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52","" "1568304","30.0723","0.0009","30.0723","0.0009","29.2855","0.0018","90","","90","","90","","26484","2","100","2","100","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C160 H124 N13 O11 Pd2 Re2 -","- C160 H124 N13 O11 Pd2 Re2 -","- C1280 H992 N104 O88 Pd16 Re16 -","8","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd2L4 cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","0.71073","MoKα","","0.1162","0.1069","","","0.303","0.3144","","","","","","1.051","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52","" "1568305","22.378","0.005","25.42","0.005","29.183","0.006","90","","97.42","0.03","90","","16462","6","80","2","80","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C169 H145 F24 N12 O1.5 Pd2 Sb4 -","- C169 H145 F24 N12 O1.5 Pd2 Sb4 -","- C676 H580 F96 N48 O6 Pd8 Sb16 -","4","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd2L4 cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","0.5636","synchrotron","","0.0855","0.0721","","","0.2193","0.2326","","","","","","1.061","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52","" "1568306","30.0828","0.0008","30.0828","0.0008","29.4215","0.0007","90","","90","","90","","26625.7","1.2","100","2","100","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C160 H124 B4 F16 N12 Pd2 -","- C160 H124 B4.01 F16.04 N12 Pd2 -","- C1280 H992 B32.08 F128.32 N96 Pd16 -","8","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd2L4 cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","1.54178","CuKα","","0.0948","0.0875","","","0.2597","0.2674","","","","","","1.102","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52","" "1568307","17.107","0.003","33.911","0.007","27.153","0.005","90","","99.19","0.03","90","","15550","5","80","2","80","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C171.25 H142 F10.5 N12 O11.75 Pd2 S3.5 -","- C171.18 H141.92 F10.5 N12 O11.78 Pd2 S3.5 -","- C684.72 H567.68 F42 N48 O47.12 Pd8 S14 -","4","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd2L4 cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","0.5636","synchrotron","","0.1155","0.0945","","","0.2854","0.3076","","","","","","1.022","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52","" "1568308","15.9821","0.0004","14.8327","0.0003","19.0411","0.0004","90","","94.264","0.002","90","","4501.35","0.17","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1","","- C48 H60 O8 -","- C48 H60 O8 -","- C192 H240 O32 -","4","1","","Tao, Si-Chen; Meng, Fan-Cheng; Wang, Tie; Zheng, Yan-Long","Ni-catalyzed arylation of alkynes with organoboronic acids and aldehydes to access stereodefined allylic alcohols.","Chemical science","2023","14","8","2040","2045","10.1039/d2sc05894d","","x-ray","1.54184","CuKα","","0.1083","0.0946","","","0.2749","0.2958","","","","","","1.139","","","","has coordinates","281347","2023-03-04","17:49:16","" "1568309","12.5957","0.0003","13.0422","0.0004","15.109","0.0005","84.924","0.003","76.057","0.002","69.976","0.002","2263.24","0.12","293","2","293","","","","","","","","","4","P -1","-P 1","2","","1","","- C46 H54 F6 O6 -","- C46 H54 F6 O6 -","- C92 H108 F12 O12 -","2","1","","Tao, Si-Chen; Meng, Fan-Cheng; Wang, Tie; Zheng, Yan-Long","Ni-catalyzed arylation of alkynes with organoboronic acids and aldehydes to access stereodefined allylic alcohols.","Chemical science","2023","14","8","2040","2045","10.1039/d2sc05894d","","x-ray","1.54184","CuKα","","0.1139","0.0881","","","0.2964","0.3349","","","","","","1.22","","","","has coordinates","281347","2023-03-04","17:49:16","" "1568310","17.9673","0.0007","15.1856","0.0005","18.5806","0.0008","90","","103.304","0.004","90","","4933.6","0.3","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1","","- C56 H64 O4 -","- C56 H64 O4 -","- C224 H256 O16 -","4","1","","Tao, Si-Chen; Meng, Fan-Cheng; Wang, Tie; Zheng, Yan-Long","Ni-catalyzed arylation of alkynes with organoboronic acids and aldehydes to access stereodefined allylic alcohols.","Chemical science","2023","14","8","2040","2045","10.1039/d2sc05894d","","x-ray","1.54184","CuKα","","0.1251","0.0955","","","0.2689","0.3144","","","","","","1.081","","","","has coordinates","281347","2023-03-04","17:49:16","" "1568311","9.9956","0.001","14.6178","0.0015","32.816","0.003","90","","96.941","0.002","90","","4759.7","0.8","193","2","193","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43 H61 B2 F3 Ge N3 O3 P S -","- C43 H61 B2 F3 Ge N3 O3 P S -","- C172 H244 B8 F12 Ge4 N12 O12 P4 S4 -","4","1","","Ackermann, Matthias T.; Seidl, Michael; Grande, Riccardo; Zhou, Yuqiao; Ferguson, Michael J.; Timoshkin, Alexey Y.; Rivard, Eric; Scheer, Manfred","A convenient route to mixed cationic group 13/14/15 compounds","Chemical Science","2023","14","9","2313","2317","10.1039/D2SC06594K","","","0.71073","MoKα","","0.0661","0.0438","","","0.1077","0.1216","","","","","","1.036","","","","has coordinates","281383","2023-03-04","18:00:56","" "1568312","10.0247","0.0004","14.6574","0.0006","32.8291","0.0014","90","","97.0402","0.0017","90","","4787.4","0.3","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43 H61 As B2 F3 Ge N3 O3 S -","- C43 H61 As B2 F3 Ge N3 O3 S -","- C172 H244 As4 B8 F12 Ge4 N12 O12 S4 -","4","1","","Ackermann, Matthias T.; Seidl, Michael; Grande, Riccardo; Zhou, Yuqiao; Ferguson, Michael J.; Timoshkin, Alexey Y.; Rivard, Eric; Scheer, Manfred","A convenient route to mixed cationic group 13/14/15 compounds","Chemical Science","2023","14","9","2313","2317","10.1039/D2SC06594K","","","1.54178","CuKα","","0.0411","0.0397","","","0.1054","0.1072","","","","","","1.059","","","","has coordinates","281383","2023-03-04","18:00:57","" "1568313","35.1849","0.0003","10.4401","0.0001","35.7996","0.0003","90","","105.925","0.001","90","","12645.7","0.2","100","0.1","100","0.1","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C111.65 H163.3 B4 Cl3.3 F6 Ge2 N8 O6 P2 S2 -","- C110.65 H161.3 B4 Cl1.3 F6 Ge2 N8 O6 P2 S2 -","- C442.6 H645.2 B16 Cl5.2 F24 Ge8 N32 O24 P8 S8 -","4","1","","Ackermann, Matthias T.; Seidl, Michael; Grande, Riccardo; Zhou, Yuqiao; Ferguson, Michael J.; Timoshkin, Alexey Y.; Rivard, Eric; Scheer, Manfred","A convenient route to mixed cationic group 13/14/15 compounds","Chemical Science","2023","14","9","2313","2317","10.1039/D2SC06594K","","x-ray","1.54184","CuKα","","0.1081","0.0762","","","0.1957","0.2096","","","","","","1.038","","","","has coordinates,has disorder","281383","2023-03-04","18:00:57","" "1568314","35.2609","0.0002","10.43718","0.00008","35.8116","0.0003","90","","105.96","0.0007","90","","12671.5","0.17","100","0.1","100","0.1","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C55.8 H81.6 As B2 Cl1.6 F3 Ge N4 O3 S -","- C55.8 H81.6 As B2 Cl1.6 F3 Ge N4 O3 S -","- C446.4 H652.8 As8 B16 Cl12.8 F24 Ge8 N32 O24 S8 -","8","2","","Ackermann, Matthias T.; Seidl, Michael; Grande, Riccardo; Zhou, Yuqiao; Ferguson, Michael J.; Timoshkin, Alexey Y.; Rivard, Eric; Scheer, Manfred","A convenient route to mixed cationic group 13/14/15 compounds","Chemical Science","2023","14","9","2313","2317","10.1039/D2SC06594K","","x-ray","1.54184","CuKα","","0.0857","0.0734","","","0.1925","0.1992","","","","","","1.067","","","","has coordinates,has disorder","281383","2023-03-04","18:00:57","" "1568315","20.0556","0.001","13.4841","0.0005","16.4559","0.0007","90","","107.412","0.005","90","","4246.3","0.3","133","","133","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H62 Fe N4 -","- C40 H62 Fe N4 -","- C160 H248 Fe4 N16 -","4","0.5","","Kobayashi, Yoshinao; Sunada, Yusuke","Germanium hydrides as an efficient hydrogen-storage material operated by an iron catalyst.","Chemical science","2023","14","5","1065","1071","10.1039/d2sc06011f","","","0.71075","MoKα","","0.0743","0.0497","","","0.121","0.1327","","","","","","1.025","","","","has coordinates","281352","2023-03-04","17:50:55","" "1568316","12.836","0.004","12.928","0.004","13.403","0.004","90","","104.798","0.004","90","","2150.4","1.1","203","","203","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H62 Fe Ge2 N4 -","- C46 H62 Fe Ge2 N4 -","- C92 H124 Fe2 Ge4 N8 -","2","0.5","","Kobayashi, Yoshinao; Sunada, Yusuke","Germanium hydrides as an efficient hydrogen-storage material operated by an iron catalyst.","Chemical science","2023","14","5","1065","1071","10.1039/d2sc06011f","","","0.71075","MoKα","","0.0878","0.0607","","","0.133","0.147","","","","","","1.083","","","","has coordinates","281352","2023-03-04","17:50:55","" "1568317","14.0493","0.0006","24.0246","0.0009","19.8466","0.0007","90","","92.615","0.004","90","","6691.8","0.4","113","","113","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C74 H90 Fe Ge4 N4 O2 -","- C74 H90 Fe Ge4 N4 O2 -","- C296 H360 Fe4 Ge16 N16 O8 -","4","1","","Kobayashi, Yoshinao; Sunada, Yusuke","Germanium hydrides as an efficient hydrogen-storage material operated by an iron catalyst.","Chemical science","2023","14","5","1065","1071","10.1039/d2sc06011f","","","0.71075","MoKα","","0.0749","0.0505","","","0.0899","0.0996","","","","","","1.015","","","","has coordinates","281352","2023-03-04","17:50:55","" "1568318","12.2039","0.0002","20.0943","0.0003","22.0081","0.0004","90","","98.0205","0.0016","90","","5344.23","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H70 Fe Ge3 N4 -","- C58 H70 Fe Ge3 N4 -","- C232 H280 Fe4 Ge12 N16 -","4","1","","Kobayashi, Yoshinao; Sunada, Yusuke","Germanium hydrides as an efficient hydrogen-storage material operated by an iron catalyst.","Chemical science","2023","14","5","1065","1071","10.1039/d2sc06011f","","","0.4122","synchrotron","","0.1582","0.075","","","0.1349","0.1567","","","","","","1.032","","","","has coordinates","281352","2023-03-04","17:50:55","" "1568319","16.684","0.0005","19.1264","0.0005","10.702","0.0003","90","","90","","90","","3415.06","0.17","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H54 Cl N3 O3 -","- C32 H54 Cl N3 O3 -","- C128 H216 Cl4 N12 O12 -","4","0.5","","Wang, Shiyu; Zhu, Chenhao; Ning, Lichao; Li, Dawei; Feng, Xiaoming; Dong, Shunxi","Regioselective C-H alkylation of anisoles with olefins by cationic imidazolin-2-iminato scandium(iii) alkyl complexes.","Chemical science","2023","14","12","3132","3139","10.1039/d2sc06725k","","","1.54178","CuKα","","0.1003","0.08","","","0.1887","0.2029","","","","","","1.062","","","","has coordinates,has disorder","282304","2023-04-04","10:04:30","" "1568320","19.8888","0.0005","11.5941","0.0003","20.0988","0.0005","90","","112.329","0.001","90","","4287.12","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H58 Cl2 N5 Sc -","- C45 H58 Cl2 N5 Sc -","- C180 H232 Cl8 N20 Sc4 -","4","1","","Wang, Shiyu; Zhu, Chenhao; Ning, Lichao; Li, Dawei; Feng, Xiaoming; Dong, Shunxi","Regioselective C-H alkylation of anisoles with olefins by cationic imidazolin-2-iminato scandium(iii) alkyl complexes.","Chemical science","2023","14","12","3132","3139","10.1039/d2sc06725k","","","1.54178","CuKα","","0.0382","0.0336","","","0.0896","0.0946","","","","","","1.052","","","","has coordinates,has disorder","282304","2023-04-04","10:04:31","" "1568321","11.7634","0.0003","18.4422","0.0005","19.7845","0.0006","90","","93.583","0.001","90","","4283.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H64 Gd N5 -","- C47 H64 Gd N5 -","- C188 H256 Gd4 N20 -","4","1","","Wang, Shiyu; Zhu, Chenhao; Ning, Lichao; Li, Dawei; Feng, Xiaoming; Dong, Shunxi","Regioselective C-H alkylation of anisoles with olefins by cationic imidazolin-2-iminato scandium(iii) alkyl complexes.","Chemical science","2023","14","12","3132","3139","10.1039/d2sc06725k","","","0.71073","MoKα","","0.0415","0.0305","","","0.054","0.058","","","","","","1.103","","","","has coordinates","282304","2023-04-04","10:04:31","" "1568322","10.8628","0.0007","11.7806","0.0007","18.3075","0.001","86.193","0.002","83.654","0.002","71.048","0.002","2201.1","0.2","173","2","173","2","","","","","","","Hexane","4","P -1","-P 1","2","","","","- C47 H64 N5 Y -","- C47 H64 N5 Y -","- C94 H128 N10 Y2 -","2","1","","Wang, Shiyu; Zhu, Chenhao; Ning, Lichao; Li, Dawei; Feng, Xiaoming; Dong, Shunxi","Regioselective C-H alkylation of anisoles with olefins by cationic imidazolin-2-iminato scandium(iii) alkyl complexes.","Chemical science","2023","14","12","3132","3139","10.1039/d2sc06725k","","","0.71073","MoKα","","0.0385","0.0302","","","0.0693","0.0753","","","","","","1.072","","","","has coordinates,has disorder","282304","2023-04-04","10:04:31","" "1568323","19.891","0.002","11.624","0.0012","20.148","0.002","90","","112.715","0.002","90","","4297.2","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H64 N5 Sc -","- C47 H64 N5 Sc -","- C188 H256 N20 Sc4 -","4","1","","Wang, Shiyu; Zhu, Chenhao; Ning, Lichao; Li, Dawei; Feng, Xiaoming; Dong, Shunxi","Regioselective C-H alkylation of anisoles with olefins by cationic imidazolin-2-iminato scandium(iii) alkyl complexes.","Chemical science","2023","14","12","3132","3139","10.1039/d2sc06725k","","","0.71073","MoKα","","0.118","0.1083","","","0.2108","0.2142","","","","","","1.419","","","","has coordinates,has disorder","282304","2023-04-04","10:04:31","" "1568324","14.149","0.0006","7.7293","0.0003","20.6546","0.0009","90","","91.659","0.004","90","","2257.88","0.16","95","0.1","95","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H22 B20 I2 S2 -","- C4 H22 B20 I2 S2 -","- C16 H88 B80 I8 S8 -","4","1","","Jana, Arijit; Jash, Madhuri; Dar, Wakeel Ahmed; Roy, Jayoti; Chakraborty, Papri; Paramasivam, Ganesan; Lebedkin, Sergei; Kirakci, Kaplan; Manna, Sujan; Antharjanam, Sudhadevi; Machacek, Jan; Kucerakova, Monika; Ghosh, Sundargopal; Lang, Kamil; Kappes, Manfred M.; Base, Tomas; Pradeep, Thalappil","Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence.","Chemical science","2023","14","6","1613","1626","10.1039/d2sc06578a","","x-ray","1.54184","CuKα","","0.058","0.0405","","","0.0907","0.0972","","","","1.7126","1.7126","1.5754","","","","has coordinates","281373","2023-03-04","17:56:52","" "1568325","11.4344","0.0006","11.4344","0.0006","29.4398","0.0016","90","","90","","120","","3333.4","0.3","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C8 H44 B40 Cu4 S4 -","- C8 H44 B40 Cu4 S4 -","- C24 H132 B120 Cu12 S12 -","3","0.5","","Jana, Arijit; Jash, Madhuri; Dar, Wakeel Ahmed; Roy, Jayoti; Chakraborty, Papri; Paramasivam, Ganesan; Lebedkin, Sergei; Kirakci, Kaplan; Manna, Sujan; Antharjanam, Sudhadevi; Machacek, Jan; Kucerakova, Monika; Ghosh, Sundargopal; Lang, Kamil; Kappes, Manfred M.; Base, Tomas; Pradeep, Thalappil","Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence.","Chemical science","2023","14","6","1613","1626","10.1039/d2sc06578a","","","0.71073","MoKα","","0.057","0.0513","","","0.1266","0.1305","","","","","","1.121","","","","has coordinates","281373","2023-03-04","17:56:52","" "1568326","12.716","0.003","12.716","0.003","39.812","0.008","90","0.03","90","0.03","90","0.03","6437","3","200","2","200","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C8 H41 B40 Cu4 I3 S4 -","- C8 H41 B40 Cu4 I3 S4 -","- C32 H164 B160 Cu16 I12 S16 -","4","0.5","","Jana, Arijit; Jash, Madhuri; Dar, Wakeel Ahmed; Roy, Jayoti; Chakraborty, Papri; Paramasivam, Ganesan; Lebedkin, Sergei; Kirakci, Kaplan; Manna, Sujan; Antharjanam, Sudhadevi; Machacek, Jan; Kucerakova, Monika; Ghosh, Sundargopal; Lang, Kamil; Kappes, Manfred M.; Base, Tomas; Pradeep, Thalappil","Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence.","Chemical science","2023","14","6","1613","1626","10.1039/d2sc06578a","","","0.71073","MoKα","","0.1123","0.1061","","","0.2772","0.2841","","","","","","1.082","","","","has coordinates","281373","2023-03-04","17:56:52","" "1568327","11.3989","0.0007","11.9482","0.0007","32.3144","0.0019","90","","91.213","0.002","90","","4400.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H44 B40 Cu4 S4 -","- C8 H44 B40 Cu4 S4 -","- C32 H176 B160 Cu16 S16 -","4","1","","Jana, Arijit; Jash, Madhuri; Dar, Wakeel Ahmed; Roy, Jayoti; Chakraborty, Papri; Paramasivam, Ganesan; Lebedkin, Sergei; Kirakci, Kaplan; Manna, Sujan; Antharjanam, Sudhadevi; Machacek, Jan; Kucerakova, Monika; Ghosh, Sundargopal; Lang, Kamil; Kappes, Manfred M.; Base, Tomas; Pradeep, Thalappil","Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence.","Chemical science","2023","14","6","1613","1626","10.1039/d2sc06578a","","","0.71073","MoKα","","0.1808","0.0986","","","0.1819","0.2141","","","","","","1.116","","","","has coordinates","281373","2023-03-04","17:56:52","" "1568328","21.584","0.0009","13.1523","0.0005","17.7764","0.0007","90","","91.481","0.002","90","","5044.7","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H63 Cl3 Cr2 O5 P2 -","- C50 H63 Cl3 Cr2 O5 P2 -","- C200 H252 Cl12 Cr8 O20 P8 -","4","0.5","","Ji, Li; Song, Ping; Zhou, Youyun; Sun, Xiu-Li; Gao, Yanshan; Tang, Yong","A tridentate phenoxy-phosphine (POP) divalent chromium complex and its reactivities in olefin polymerization","Polymer Chemistry","2023","14","6","763","772","10.1039/D2PY01509A","","x-ray","1.54178","CuKα","","0.0356","0.0341","","","0.0913","0.0929","","","","","","1.06","","","","has coordinates,has disorder","281610","2023-03-04","18:47:46","" "1568329","8.1655","0.0001","10.6042","0.0001","14.4716","0.0001","90","","102.495","0.001","90","","1223.4","0.02","249.97","0.1","249.97","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Br N -","- C12 H18 Br N -","- C48 H72 Br4 N4 -","4","1","","Stroek, Wowa; Hoareau, Lilian; Albrecht, Martin","From the bottle: simple iron salts for the efficient synthesis of pyrrolidines via catalytic C-H bond amination.","Catalysis science & technology","2023","13","4","958","962","10.1039/d2cy02065c","","x-ray","1.54184","CuKα","","0.0428","0.0425","","","0.109","0.1092","","","","","","1.077","","","","has coordinates","281309","2023-03-04","17:35:09","" "1568331","14.8529","0.0012","20.5937","0.0018","5.5853","0.0005","90","","90","","90","","1708.4","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C80 H76 N4 O20 -","4","1","","d’Aleman, Antoine; Gayraud, Oscar; Fressigné, Catherine; Petit, Emilie; Bailly, Laetitia; Maddaluno, Jacques; De Paolis, Michaël","Organocatalyzed enantio- and diastereoselective isomerization of prochiral 1,3-cyclohexanediones into nonalactones bearing distant stereocenters","Chemical Science","2023","14","8","2107","2113","10.1039/D2SC06842G","","","0.71073","MoKα","","0.0378","0.0364","","","0.0916","0.0925","","","","","","1.081","","","","has coordinates","282621","2023-04-13","12:20:29","" "1568332","12.0582","0.0004","13.8579","0.0005","23.2328","0.0008","90.646","0.001","97.97","0.001","86.033","0.001","3835.5","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","[Dy(NO3)3(depma2)1.5].(depma2)0.5.CH3OH","","- C77 H88 Dy N3 O22 P4 -","- C77 H88 Dy N3 O22 P4 -","- C154 H176 Dy2 N6 O44 P8 -","2","1","","Huang, Xin-Da; Hong, Ben-Kun; Wen, Ge-Hua; Li, Shu-Hua; Zheng, Li-Min","Photo-controllable heterostructured crystals of metal-organic frameworks via reversible photocycloaddition.","Chemical science","2023","14","7","1852","1860","10.1039/d2sc06732c","","","0.71073","MoKα","","0.0697","0.0504","","","0.1148","0.1222","","","","","","1.04","","","","has coordinates,has disorder","281382","2023-03-04","18:00:22","" "1568333","12.0168","0.0018","13.485","0.002","23.445","0.003","90.47","0.006","97.255","0.004","93.184","0.006","3762.5","0.9","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","[Dy(NO3)3(depma2)1.5].(depma2)0.5","","- C76 H84 Dy N3 O21 P4 -","- C76 H84 Dy N3 O21 P4 -","- C152 H168 Dy2 N6 O42 P8 -","2","1","","Huang, Xin-Da; Hong, Ben-Kun; Wen, Ge-Hua; Li, Shu-Hua; Zheng, Li-Min","Photo-controllable heterostructured crystals of metal-organic frameworks via reversible photocycloaddition.","Chemical science","2023","14","7","1852","1860","10.1039/d2sc06732c","","","0.71073","MoKα","","0.0921","0.069","","","0.1765","0.1954","","","","","","1.072","","","","has coordinates,has disorder","281382","2023-03-04","18:00:22","" "1568334","12.1321","0.001","13.3341","0.001","23.3083","0.0017","90.473","0.003","95.995","0.003","92.718","0.003","3745.4","0.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","[Dy(NO3)3(depma)(depma2)].(depma2)0.5","","- C76 H84 Dy N3 O21 P4 -","- C76 H84 Dy N3 O21 P4 -","- C152 H168 Dy2 N6 O42 P8 -","2","1","","Huang, Xin-Da; Hong, Ben-Kun; Wen, Ge-Hua; Li, Shu-Hua; Zheng, Li-Min","Photo-controllable heterostructured crystals of metal-organic frameworks via reversible photocycloaddition.","Chemical science","2023","14","7","1852","1860","10.1039/d2sc06732c","","","0.71073","MoKα","","0.0827","0.0581","","","0.1485","0.1703","","","","","","1.034","","","","has coordinates","281382","2023-03-04","18:00:22","" "1568335","12.0667","0.0005","13.4722","0.0006","23.4814","0.001","90.745","0.002","97.128","0.002","93.145","0.002","3781.3","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","[Dy(NO3)3(depma2)1.5].(depma2)0.5","","- C76 H84 Dy N3 O21 P4 -","- C76 H84 Dy N3 O21 P4 -","- C152 H168 Dy2 N6 O42 P8 -","2","1","","Huang, Xin-Da; Hong, Ben-Kun; Wen, Ge-Hua; Li, Shu-Hua; Zheng, Li-Min","Photo-controllable heterostructured crystals of metal-organic frameworks via reversible photocycloaddition.","Chemical science","2023","14","7","1852","1860","10.1039/d2sc06732c","","","1.34139","GaKα","","0.0941","0.0755","","","0.2062","0.2204","","","","","","1.073","","","","has coordinates","281382","2023-03-04","18:00:22","" "1568336","15.5164","0.0002","9.4299","0.0001","17.7244","0.0003","90","","108.412","0.002","90","","2460.64","0.07","99.9","0.3","99.9","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 N4 Ni -","- C24 H44 N4 Ni -","- C96 H176 N16 Ni4 -","4","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0369","0.0318","","","0.0794","0.0824","","","","","","1.039","","","","has coordinates","281345","2023-03-04","17:48:50","" "1568337","15.7119","0.0003","9.6716","0.0002","19.5224","0.0003","90","","94.027","0.002","90","","2959.28","0.1","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H54 N4 Ni -","- C30 H54 N4 Ni -","- C120 H216 N16 Ni4 -","4","0.5","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0453","0.0433","","","0.1115","0.1132","","","","","","1.044","","","","has coordinates,has disorder","281345","2023-03-04","17:48:50","" "1568338","5.7823","0.0002","8.4295","0.0004","14.2439","0.0005","87.274","0.003","84.401","0.003","89.585","0.003","690.18","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 B2 O4 -","- C16 H14 B2 O4 -","- C32 H28 B4 O8 -","2","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0687","0.0668","","","0.2217","0.2231","","","","","","1.187","","","","has coordinates","281345","2023-03-04","17:48:50","" "1568339","12.0496","0.0001","19.7726","0.0001","16.7786","0.0001","90","","110.877","0.001","90","","3735.09","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H64 B2 N4 Ni O4 -","- C34 H64 B2 N4 Ni O4 -","- C136 H256 B8 N16 Ni4 O16 -","4","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0408","0.0397","","","0.0945","0.0949","","","","","","1.201","","","","has coordinates","281345","2023-03-04","17:48:50","" "1568340","10.8305","0.0002","18.882","0.0003","19.1567","0.0003","62.566","0.002","83.687","0.002","81.606","0.001","3435.69","0.12","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C34 H48 B2 N4 Ni O4 -","- C34 H48 B2 N4 Ni O4 -","- C136 H192 B8 N16 Ni4 O16 -","4","2","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0451","0.0396","","","0.1039","0.1076","","","","","","1.074","","","","has coordinates","281345","2023-03-04","17:48:50","" "1568341","10.2981","0.0002","17.9201","0.0002","18.0389","0.0003","116.089","0.002","93.688","0.001","93.509","0.001","2968.67","0.1","99.9","0.7","99.9","0.7","","","","","","","","6","P -1","-P 1","2","","","","- C26 H48 B2 N4 Ni O4 -","- C26 H48 B2 N4 Ni O4 -","- C104 H192 B8 N16 Ni4 O16 -","4","2","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0485","0.0445","","","0.1212","0.1246","","","","","","1.017","","","","has coordinates,has disorder","281345","2023-03-04","17:48:50","" "1568342","6.3585","0.0001","8.8436","0.0002","16.0653","0.0004","100.552","0.002","97.42","0.002","93.988","0.002","876.64","0.03","99.9","0.6","99.9","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 B2 O4 -","- C21 H16 B2 O4 -","- C42 H32 B4 O8 -","2","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0464","0.0419","","","0.1127","0.1173","","","","","","1.047","","","","has coordinates","281345","2023-03-04","17:48:50","" "1568343","10.237","0.0002","11.4631","0.0002","13.66","0.0003","113.599","0.002","91.47","0.002","93.724","0.002","1463.47","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 B2 F6 O4 -","- C34 H22 B2 F6 O4 -","- C68 H44 B4 F12 O8 -","2","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0461","0.0405","","","0.1069","0.1114","","","","","","1.071","","","","has coordinates,has disorder","281345","2023-03-04","17:48:50","" "1568344","10.0336","0.0001","12.4047","0.0002","12.9515","0.0003","62.329","0.002","78.295","0.001","83.938","0.001","1397.82","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C31 H25 B4 O8 -","- C31 H25 B4 O8 -","- C62 H50 B8 O16 -","2","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.047","0.044","","","0.112","0.1144","","","","","","1.02","","","","has coordinates,has disorder","281345","2023-03-04","17:48:50","" "1568345","10.3698","0.0002","10.8321","0.0002","11.1405","0.0003","94.791","0.002","108.533","0.002","103.715","0.002","1135.37","0.05","100","0.1","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 B2 O4 -","- C28 H22 B2 O4 -","- C56 H44 B4 O8 -","2","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0399","0.037","","","0.0959","0.0985","","","","","","1.05","","","","has coordinates","281345","2023-03-04","17:48:50","" "1568346","10.3586","0.0001","16.2208","0.0002","20.3367","0.0002","90","","94.882","0.001","90","","3404.67","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H42 B2 N2 O4 -","- C39 H42 B2 N2 O4 -","- C156 H168 B8 N8 O16 -","4","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0422","0.0372","","","0.0953","0.0987","","","","","","1.055","","","","has coordinates","281345","2023-03-04","17:48:50","" "1568347","12.9444","0.0002","15.0597","0.0001","9.5195","0.0001","90","","98.503","0.001","90","","1835.32","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 B2 O4 -","- C20 H20 B2 O4 -","- C80 H80 B8 O16 -","4","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0469","0.0436","","","0.1156","0.1185","","","","","","1.046","","","","has coordinates","281345","2023-03-04","17:48:50","" "1568348","9.7326","0.0002","10.1947","0.0002","19.1912","0.0005","76.146","0.002","86.927","0.002","64.991","0.002","1672.98","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H35 B4 N O8 Si -","- C37 H35 B4 N O8 Si -","- C74 H70 B8 N2 O16 Si2 -","2","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","","1.54184","CuKα","","0.0495","0.0429","","","0.1164","0.121","","","","","","1.04","","","","has coordinates","281345","2023-03-04","17:48:50","" "1568349","11.2396","0.0001","19.3916","0.0001","19.4256","0.0001","90","","97.714","0.001","90","","4195.57","0.05","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H62 B2 N4 Ni O4 -","- C42 H62 B2 N4 Ni O4 -","- C168 H248 B8 N16 Ni4 O16 -","4","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0379","0.0342","","","0.0884","0.091","","","","","","1.063","","","","has coordinates","281345","2023-03-04","17:48:50","" "1568350","12.3362","0.0001","17.5427","0.0002","17.1923","0.0002","90","","97.966","0.001","90","","3684.69","0.07","99.9","0.4","99.9","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 B2 N4 Ni O4 -","- C38 H54 B2 N4 Ni O4 -","- C152 H216 B8 N16 Ni4 O16 -","4","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0399","0.0362","","","0.0977","0.1003","","","","","","1.046","","","","has coordinates","281345","2023-03-04","17:48:50","" "1568351","9.8008","0.0001","11.1639","0.0001","20.6104","0.0003","81.513","0.001","82.36","0.001","66.213","0.001","2034.2","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 B2 O4 -","- C26 H18 B2 O4 -","- C104 H72 B8 O16 -","4","2","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0397","0.0368","","","0.0941","0.0973","","","","","","0.647","","","","has coordinates","281345","2023-03-04","17:48:50","" "1568352","15.389","0.003","8.8015","0.0018","23.005","0.009","90","","101.75","0.03","90","","3050.6","1.5","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H34 N6 O2 Sn2 -","- C34 H34 N6 O2 Sn2 -","- C136 H136 N24 O8 Sn8 -","4","0.5","","Sikora, Philipp; Naumann, Robert; Förster, Christoph; Heinze, Katja","Excited state energy landscape of phosphorescent group 14 complexes.","Chemical science","2023","14","10","2489","2500","10.1039/d2sc06984a","","","0.71073","MoKα","","0.0309","0.0293","","","0.0719","0.073","","","","","","1.11","","","","has coordinates","283149","2023-05-05","00:54:10","" "1568353","28.972","0.004","28.972","0.004","8.1427","0.0016","90","","90","","120","","5919.1","1.6","120","2","120","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C15 H13 N3 Sn -","- C15 H13 N3 Sn -","- C270 H234 N54 Sn18 -","18","2","","Sikora, Philipp; Naumann, Robert; Förster, Christoph; Heinze, Katja","Excited state energy landscape of phosphorescent group 14 complexes.","Chemical science","2023","14","10","2489","2500","10.1039/d2sc06984a","","","0.71073","MoKα","","0.0378","0.037","","","0.0952","0.0958","","","","","","1.133","","","","has coordinates,has disorder","283149","2023-05-05","00:54:10","" "1568354","14.475","0.0015","22.912","0.002","31.837","0.003","90","","90","","90","","10558.8","1.7","120","","120","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C60 H46 Cl6 N4 O8 -","- C60 H46 Cl6 N4 O8 -","- C480 H368 Cl48 N32 O64 -","8","2","","Mehra, Kundan Singh; Jha, Shivangee; Menon, Anila M.; Chopra, Deepak; Sankar, Jeyaraman","The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs.","Chemical science","2023","14","12","3147","3153","10.1039/d2sc06162g","","","0.71073","MoKα","","0.1825","0.1111","","","0.2443","0.2831","","","","","","1.022","","","","has coordinates,has disorder","282302","2023-04-04","10:03:40","" "1568355","8.7404","0.0011","9.8973","0.0014","15.641","0.002","100.242","0.006","95.44","0.006","96.856","0.007","1312.6","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C58 H43 N5 O10 -","- C58 H43 N5 O10 -","- C58 H43 N5 O10 -","1","0.5","","Mehra, Kundan Singh; Jha, Shivangee; Menon, Anila M.; Chopra, Deepak; Sankar, Jeyaraman","The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs.","Chemical science","2023","14","12","3147","3153","10.1039/d2sc06162g","","","0.71073","MoKα","","0.2968","0.1396","","","0.388","0.4474","","","","","","1.098","","","","has coordinates,has disorder","282302","2023-04-04","10:03:49","" "1568356","10.4617","0.0015","12.3933","0.0019","13.748","0.002","67.233","0.01","88.114","0.011","80.705","0.01","1621.2","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H46 Cl12 N6 O12 -","- C62 H46 Cl12 N6 O12 -","- C62 H46 Cl12 N6 O12 -","1","0.5","","Mehra, Kundan Singh; Jha, Shivangee; Menon, Anila M.; Chopra, Deepak; Sankar, Jeyaraman","The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs.","Chemical science","2023","14","12","3147","3153","10.1039/d2sc06162g","","","0.71073","MoKα","","0.1294","0.0597","","","0.1311","0.1584","","","","","","0.973","","","","has coordinates,has disorder","282302","2023-04-04","10:03:52","" "1568357","26.736","0.003","16.294","0.002","14.3851","0.0017","90","","114.589","0.005","90","","5698.4","1.2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H44 N4 O8 -","- C58 H44 N4 O8 -","- C232 H176 N16 O32 -","4","0.5","","Mehra, Kundan Singh; Jha, Shivangee; Menon, Anila M.; Chopra, Deepak; Sankar, Jeyaraman","The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs.","Chemical science","2023","14","12","3147","3153","10.1039/d2sc06162g","","","0.71073","MoKα","","0.103","0.0835","","","0.2464","0.2585","","","","","","1.05","","","","has coordinates,has disorder","282302","2023-04-04","10:03:56","" "1568358","9.412","0.002","23.109","0.016","30.268","0.01","86.235","0.007","85.355","0.002","89.587","0.009","6548","5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C117 H89 Cl3 N8 O16 -","- C117 H89 Cl3 N8 O16 -","- C234 H178 Cl6 N16 O32 -","2","1","","Mehra, Kundan Singh; Jha, Shivangee; Menon, Anila M.; Chopra, Deepak; Sankar, Jeyaraman","The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs.","Chemical science","2023","14","12","3147","3153","10.1039/d2sc06162g","","","0.71073","MoKα","","0.3913","0.1584","","","0.4012","0.539","","","","","","0.971","","","","has coordinates,has disorder","282302","2023-04-04","10:03:57","" "1568359","8.3226","0.0004","9.9577","0.0005","10.0572","0.0005","91.536","0.004","113.802","0.005","111.884","0.005","692.05","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C8 H11 F4 N3 O4 S2 -","- C8 H11 F4 N3 O4 S2 -","- C16 H22 F8 N6 O8 S4 -","2","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","0.71073","MoKα","","0.0431","0.038","","","0.0965","0.0999","","","","","","1.094","","","","has coordinates","283153","2023-05-05","00:55:33","" "1568360","7.9455","0.0002","8.6095","0.0002","9.9932","0.0002","95.988","0.002","110.473","0.002","105.27","0.002","603.04","0.03","100","2","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C7 H11 F2 N3 O4 S2 -","- C7 H11 F2 N3 O4 S2 -","- C14 H22 F4 N6 O8 S4 -","2","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0329","0.0325","","","0.0818","0.0822","","","","","","1.053","","","","has coordinates,has disorder","283153","2023-05-05","00:55:43","" "1568361","10.1756","0.0002","11.1177","0.0002","14.7584","0.0003","71.995","0.002","74.529","0.002","89.874","0.002","1524.43","0.06","100","2","100","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C9 H11 F6 N3 O4 S2 -","- C9 H11 F6 N3 O4 S2 -","- C36 H44 F24 N12 O16 S8 -","4","2","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0386","0.0356","","","0.0967","0.0989","","","","","","1.085","","","","has coordinates","283153","2023-05-05","00:55:46","" "1568362","18.1649","0.0003","8.3747","0.0001","23.0541","0.0005","90","","90","","90","","3507.12","0.1","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H15 F6 N3 O4 S2 -","- C11 H15 F6 N3 O4 S2 -","- C88 H120 F48 N24 O32 S16 -","8","2","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","","1.54184","CuKα","","0.0693","0.0577","","","0.1546","0.1676","","","","","","1.073","","","","has coordinates","283153","2023-05-05","00:55:56","" "1568363","9.2307","0.0001","9.6375","0.0001","16.6863","0.0001","90","","90","","90","","1484.43","0.02","100","2","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 F2 N2 O4 S2 -","- C10 H20 F2 N2 O4 S2 -","- C40 H80 F8 N8 O16 S8 -","4","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0288","0.0279","","","0.0713","0.0718","","","","","","1.063","","","","has coordinates","283153","2023-05-05","00:55:59","" "1568364","12.0609","0.0001","8.4597","0.0001","34.0782","0.0002","90","","93.118","0.001","90","","3471.91","0.05","100","2","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 F12 N6 O8 S4 -","- C20 H30 F12 N6 O8 S4 -","- C80 H120 F48 N24 O32 S16 -","4","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.1013","0.0994","","","0.2143","0.2149","","","","","","2.948","","","","has coordinates,has disorder","283153","2023-05-05","00:56:33","" "1568365","8.25097","0.00018","10.3115","0.0002","19.7803","0.0005","90","","98.622","0.002","90","","1663.89","0.06","238","2","238.49","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H20 F4 N2 O4 S2 -","- C11 H20 F4 N2 O4 S2 -","- C44 H80 F16 N8 O16 S8 -","4","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","","1.54184","CuKα","","0.0978","0.0906","","","0.273","0.2872","","","","","","1.15","","","","has coordinates","283153","2023-05-05","00:56:36","" "1568366","5.6676","0.0001","16.1685","0.0002","11.191","0.0001","90","","98.415","0.001","90","","1014.46","0.02","100","2","99.9","0.6","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C10 H15 Ag F4 N4 O8 S4 -","- C10 H15 Ag F4 N4 O8 S4 -","- C20 H30 Ag2 F8 N8 O16 S8 -","2","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0392","0.0379","","","0.1035","0.1064","","","","","","1.037","","","","has coordinates","283153","2023-05-05","00:56:48","" "1568367","8.9762","0.0001","18.0158","0.0001","35.4048","0.0002","90","","90","","90","","5725.43","0.08","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H15 F2 N3 O4 S2 -","- C9 H15 F2 N3 O4 S2 -","- C144 H240 F32 N48 O64 S32 -","16","2","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","","1.54184","CuKα","","0.0474","0.0455","","","0.1317","0.1335","","","","","","1.056","","","","has coordinates,has disorder","283153","2023-05-05","00:56:51","" "1568368","5.9059","0.0001","8.225","0.0002","10.7395","0.0002","103.427","0.002","101.901","0.002","107.938","0.002","460.501","0.019","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H11 Ag F4 N4 O8 S4 -","- C8 H11 Ag F4 N4 O8 S4 -","- C8 H11 Ag F4 N4 O8 S4 -","1","0.5","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","0.71073","MoKα","","0.0352","0.0273","","","0.0691","0.0723","","","","","","1.042","","","","has coordinates,has disorder","283153","2023-05-05","00:56:56","" "1568369","8.1326","0.0001","11.5911","0.0001","17.2771","0.0001","104.234","0.001","95.326","0.001","92.313","0.001","1568.45","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H15 F4 N3 O4 S2 -","- C10 H15 F4 N3 O4 S2 -","- C40 H60 F16 N12 O16 S8 -","4","2","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","","1.54184","CuKα","","0.0559","0.053","","","0.1451","0.1503","","","","","","1.083","","","","has coordinates","283153","2023-05-05","00:56:59","" "1568370","8.981","0.0001","9.3656","0.0001","11.9008","0.0002","70.207","0.001","75.403","0.001","71.869","0.001","882.98","0.02","100","2","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 F6 N2 O4 S2 -","- C12 H20 F6 N2 O4 S2 -","- C24 H40 F12 N4 O8 S4 -","2","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0712","0.0698","","","0.1911","0.1931","","","","","","1.062","","","","has coordinates","283153","2023-05-05","00:57:08","" "1568371","9.5881","0.0002","10.8805","0.0002","11.469","0.0001","87.979","0.001","78.644","0.001","64.936","0.002","1061.04","0.04","100","2","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C11 H20 Ag F4 N3 O8 S4 -","- C11 H20 Ag F4 N3 O8 S4 -","- C22 H40 Ag2 F8 N6 O16 S8 -","2","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0572","0.0556","","","0.1526","0.1553","","","","","","1.063","","","","has coordinates,has disorder","283153","2023-05-05","00:57:11","" "1568372","8.5369","0.0002","12.0251","0.0002","17.0606","0.0004","90","","96.799","0.002","90","","1739.07","0.06","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cl2 N2 O2 Pd -","- C16 H20 Cl2 N2 O2 Pd -","- C64 H80 Cl8 N8 O8 Pd4 -","4","1","","Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji","Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates","Polymer Chemistry","2023","14","9","1007","1018","10.1039/D2PY01548J","","x-ray","0.71073","MoKα","","0.0418","0.0376","","","0.0874","0.0913","","","","","","1.057","","","","has coordinates","281612","2023-03-04","18:48:32","" "1568373","16.7813","0.0009","8.4205","0.0003","26.3272","0.0013","90","","103.427","0.005","90","","3618.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H22 Cl2 N2 O2 Pd -","- C17 H22 Cl2 N2 O2 Pd -","- C136 H176 Cl16 N16 O16 Pd8 -","8","1","","Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji","Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates","Polymer Chemistry","2023","14","9","1007","1018","10.1039/D2PY01548J","","x-ray","0.71073","MoKα","","0.0675","0.0453","","","0.0926","0.099","","","","","","1.047","","","","has coordinates","281612","2023-03-04","18:48:32","" "1568374","12.3508","0.0005","14.1078","0.0005","10.6617","0.0005","90","","101.286","0.004","90","","1821.8","0.13","100","","100","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C17 H22 Br2 N2 O2 Pd -","- C17 H22 Br2 N2 O2 Pd -","- C68 H88 Br8 N8 O8 Pd4 -","4","0.5","","Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji","Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates","Polymer Chemistry","2023","14","9","1007","1018","10.1039/D2PY01548J","","x-ray","0.71073","MoKα","","0.0483","0.0379","","","0.0898","0.0942","","","","","","1.028","","","","has coordinates","281612","2023-03-04","18:48:32","" "1568375","12.63","0.0005","13.0697","0.0005","16.0599","0.0006","67.524","0.004","81.219","0.004","78.077","0.004","2388.82","0.18","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H52 Cl2 O5 P2 Pd -","- C57 H52 Cl2 O5 P2 Pd -","- C114 H104 Cl4 O10 P4 Pd2 -","2","1","","Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji","Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates","Polymer Chemistry","2023","14","9","1007","1018","10.1039/D2PY01548J","","x-ray","0.71073","MoKα","","0.0601","0.0443","","","0.0921","0.0996","","","","","","1.047","","","","has coordinates","281612","2023-03-04","18:48:32","" "1568376","12.4623","0.0003","10.8537","0.0003","32.8318","0.0008","90","","93.985","0.002","90","","4430.2","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50.34 H42.68 Cl2 O3.45 P2 Pd -","- C50.341 H42.682 Cl2 O3.447 P2 Pd -","- C201.364 H170.728 Cl8 O13.788 P8 Pd4 -","4","1","","Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji","Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates","Polymer Chemistry","2023","14","9","1007","1018","10.1039/D2PY01548J","","x-ray","0.71073","MoKα","","0.0817","0.0574","","","0.1307","0.141","","","","","","1.033","","","","has coordinates,has disorder","281612","2023-03-04","18:48:32","" "1568377","32.1117","0.0004","12.4315","0.0002","10.0614","0.0001","90","","90","","90","","4016.48","0.09","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C45 H33 Cl5 Fe O2 P2 Pd -","- C45 H33 Cl5 Fe O2 P2 Pd -","- C180 H132 Cl20 Fe4 O8 P8 Pd4 -","4","1","","Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji","Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates","Polymer Chemistry","2023","14","9","1007","1018","10.1039/D2PY01548J","","x-ray","0.71073","MoKα","","0.0303","0.0276","","","0.0549","0.0558","","","","","","1.066","","","","has coordinates","281612","2023-03-04","18:48:32","" "1568378","20.2129","0.0009","13.654","0.0004","20.7338","0.0008","90","","116.67","0.005","90","","5113.4","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H51 Cl2 O4 P2 Pd -","- C63 H51 Cl2 O4 P2 Pd -","- C252 H204 Cl8 O16 P8 Pd4 -","4","1","","Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji","Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates","Polymer Chemistry","2023","14","9","1007","1018","10.1039/D2PY01548J","","x-ray","0.71073","MoKα","","0.0772","0.0504","","","0.1087","0.1187","","","","","","1.05","","","","has coordinates,has disorder","281612","2023-03-04","18:48:32","" "1568379","27.5152","0.0014","48.566","0.003","55.058","0.003","90","","91.649","0.001","90","","73544","7","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C422 H299 B11.5 F47 N72 O27.75 Zn8 -","- C422 H288 B11.75 F47 N72 O27.4999 Zn8 -","- C1688 H1152 B47 F188 N288 O110 Zn32 -","4","1","","Li, Danyang; Liu, Xin; Yang, Linlin; Li, Hechuan; Guo, Guoxu; Li, Xuezhao; He, Cheng","Highly efficient Förster resonance energy transfer between an emissive tetraphenylethylene-based metal-organic cage and the encapsulated dye guest.","Chemical science","2023","14","8","2237","2244","10.1039/d2sc06022a","","","0.71073","MoKα","","0.3647","0.1153","","","0.2815","0.3155","","","","","","0.983","","","","has coordinates,has disorder","281344","2023-03-04","17:48:05","" "1568380","27.2167","0.0015","33.1187","0.0019","38.817","0.002","88.598","0.002","88.357","0.001","83.075","0.002","34712","3","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C453.5 H351.5 B7.5 Br F30 N77.5 O62 Zn8 -","- C453.5 H289.5 B7.5 Br F30 N77.5 O62.0005 Zn8 -","- C907 H579 B15 Br2 F60 N155 O124.001 Zn16 -","2","1","","Li, Danyang; Liu, Xin; Yang, Linlin; Li, Hechuan; Guo, Guoxu; Li, Xuezhao; He, Cheng","Highly efficient Förster resonance energy transfer between an emissive tetraphenylethylene-based metal-organic cage and the encapsulated dye guest.","Chemical science","2023","14","8","2237","2244","10.1039/d2sc06022a","","","0.71073","MoKα","","0.2409","0.1497","","","0.3963","0.4502","","","","","","0.976","","","","has coordinates,has disorder","281344","2023-03-04","17:48:06","" "1568381","7.2214","0.0005","28.506","0.002","13.0812","0.0009","90","","92.638","0.003","90","","2690","0.3","100","0.5","100","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H26 Cl N O2 -","- C34 H26 Cl N O2 -","- C136 H104 Cl4 N4 O8 -","4","2","","Das, Saikat; Kondoh, Azusa; Terada, Masahiro","Enantioselective direct Michael addition of cyanohydrin ether derivatives to enones catalyzed by chiral bis(guanidino)iminophosphorane organosuperbase.","Chemical science","2023","14","12","3154","3159","10.1039/d2sc07065k","","","0.71073","MoKα","","0.0705","0.0681","","","0.1756","0.1777","","","","","","1.073","","","","has coordinates","282305","2023-04-04","10:04:40","" "1568382","13.6976","0.0006","23.8148","0.0012","20.2227","0.0008","90","","98.742","0.002","90","","6520.1","0.5","117","2","117","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C60 H64 B F24 Fe N3 O2 P2 -","- C60 H63 B F24 Fe N3 O2 P2 -","- C240 H252 B4 F96 Fe4 N12 O8 P8 -","4","1","","Schlenker, Kevin; Casselman, Lillee K.; VanderLinden, Ryan T.; Saouma, Caroline T.","Large changes in hydricity as a function of charge and not metal in (PNP)M–H (de)hydrogenation catalysts that undergo metal–ligand cooperativity","Catalysis Science & Technology","2023","13","5","1358","1368","10.1039/D2CY01349E","","","0.71073","MoKα","","0.1019","0.0828","","","0.1636","0.1725","","","","","","1.112","","","","has coordinates,has disorder","282244","2023-04-04","09:28:05","" "1568383","12.158","0.001","17.5241","0.0008","19.0088","0.0015","90","","90","","90","","4050","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H68 K N O4 P2 Ru -","- C36 H68 K N O4 P2 Ru -","- C144 H272 K4 N4 O16 P8 Ru4 -","4","1","","Schlenker, Kevin; Casselman, Lillee K.; VanderLinden, Ryan T.; Saouma, Caroline T.","Large changes in hydricity as a function of charge and not metal in (PNP)M–H (de)hydrogenation catalysts that undergo metal–ligand cooperativity","Catalysis Science & Technology","2023","13","5","1358","1368","10.1039/D2CY01349E","","","0.71073","MoKα","","0.0669","0.0449","","","0.0849","0.0924","","","","","","1.132","","","","has coordinates,has disorder","282244","2023-04-04","09:28:13","" "1568384","18.0228","0.0008","18.6557","0.0011","24.1397","0.001","81.335","0.004","80.527","0.004","62.02","0.005","7044.8","0.7","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C114 H226 Cr4 O28 Si7 -","- C114 H226 Cr4 O28 Si7 -","- C228 H452 Cr8 O56 Si14 -","2","1","","Nobile, Anna Giorgia; Trummer, David; Berkson, Zachariah J.; Wörle, Michael; Copéret, Christophe; Payard, Pierre-Adrien","Assigning 1H chemical shifts in paramagnetic mono- and bimetallic surface sites using DFT: a case study on the Union Carbide polymerization catalyst","Chemical Science","2023","14","9","2361","2368","10.1039/D2SC06827C","","x-ray","0.71073","MoKα","K-L~3~","0.1753","0.0875","","","0.1533","0.1928","","","","","","1.021","","","","has coordinates,has disorder","281393","2023-03-04","18:02:43","" "1568385","8.8055","0.0007","11.8006","0.0009","19.3349","0.0015","90","","91.749","0.004","90","","2008.2","0.3","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 F N2 O4 -","- C24 H21 F N2 O4 -","- C96 H84 F4 N8 O16 -","4","1","","Zhang, Jingming; Liu, Chengkou; Qiao, Yaqi; Wei, Minghui; Guan, Wenjing; Mao, Ziren; Qin, Hong; Fang, Zheng; Guo, Kai","Intramolecular trapping of spiro radicals to produce unusual cyclization products from usual migration substrates","Chemical Science","2023","14","9","2461","2466","10.1039/D2SC05768A","","","1.34139","GaKα","","0.0676","0.049","","","0.1247","0.1382","","","","","","1.057","","","","has coordinates","281392","2023-03-04","18:02:33","" "1568386","9.5862","0.0004","3.84427","0.0001","14.3959","0.0005","90","","90","","90","","530.52","0.03","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Se3 Sn Zr -","- Se3 Sn Zr -","- Se12 Sn4 Zr4 -","4","0.5","","Kondrotas, Rokas; Juskenas, Remigijus; Krotkus, Arunas; Pakstas, Vidas; Suchodolskis, Arturas; Mekys, Algirdas; Franckevicius, Marius; Talaikis, Martynas; Muska, Katri; Li, Xiaofeng; Kauk-Kuusik Marit; Kravtsov Victor","Synthesis and physical characteristics of narrow bandgap chalcogenide SnZrSe3","Open Research Europe","2023","2","138","1","12","10.12688/openreseurope.15168.1","","","0.71073","MoKα","","0.0214","0.02","","","0.0506","0.0514","","","","","","1.002","","","","has coordinates","280831","2023-02-08","14:45:15","" "1568404","20.6469","0.0002","23.6627","0.0003","24.8965","0.0003","64.38","0.001","69.27","0.001","68.88","0.001","9942.9","0.2","123","","123","","","","","","","","","6","P -1","-P 1","2","","FePcNFePpcI3","","- C74 H48.4 Cl15.6 Fe1.6 I2.4 N12 -","- C74 H48.4 Cl15.6 Fe1.6 I2.4 N12 -","- C370 H242 Cl78 Fe8 I12 N60 -","5","2.5","","Yamada, Yasuyuki; Miwa, Yusuke; Toyoda, Yuka; Phung, Quan Manh; Oyama, Kin-ichi; Tanaka, Kentaro","Evaluation of CH4 oxidation activity of high-valent iron-oxo species of a μ-nitrido-bridged heterodimer of iron porphycene and iron phthalocyanine","Catalysis Science & Technology","2023","13","6","1725","1734","10.1039/D2CY01980A","","x-ray","0.71073","MoKα","","0.1465","0.1207","","","0.3236","0.3581","","","","","","1.1096","","","","has coordinates,has disorder","282246","2023-04-04","09:30:28","" "1568405","10.53468","0.00011","6.40021","0.00007","13.58053","0.00014","90","","106.401","0.0011","90","","878.396","0.017","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 N2 O3 S2 -","- C18 H18 N2 O3 S2 -","- C36 H36 N4 O6 S4 -","2","1","","Ma, Zhaoming; Sun, Lantian; Zhou, Jianrong Steve","Catalytic enantioselective alkenylation-heteroarylation of olefins: stereoselective syntheses of 5-7 membered azacycles and oxacycles.","Chemical science","2023","14","11","3010","3017","10.1039/d2sc07117g","","x-ray","1.54184","CuKα","","0.0252","0.0251","","","0.0684","0.0686","","","","","","1.054","","","","has coordinates,has disorder","282298","2023-04-04","10:02:12","" "1568406","6.2789","0.0008","21.884","0.002","7.7197","0.0009","90","","111.31","0.004","90","","988.22","0.19","103","","103","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 As Cl F11 N -","- C5 As Cl F11 N -","- C20 As4 Cl4 F44 N4 -","4","1","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0548","0.0425","","","0.0957","0.0991","","","","","","1.095","","","","has coordinates","281384","2023-03-04","18:01:13","" "1568407","13.9435","0.0006","6.5593","0.0003","7.0669","0.0004","90","","90","","90","","646.34","0.05","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C5 H5 Cl2 N -","- C5 H5 Cl2 N -","- C20 H20 Cl8 N4 -","4","0.5","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0322","0.0257","","","0.0589","0.0641","","","","","","1.054","","","","has coordinates","281384","2023-03-04","18:01:13","" "1568408","15.093","0.009","14.455","0.007","15.759","0.008","90","","108.451","0.018","90","","3261","3","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H30 B2 Cl2 F8 N6 -","- C26 H30 B2 Cl2 F8 N6 -","- C104 H120 B8 Cl8 F32 N24 -","4","1","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0583","0.0524","","","0.1276","0.1295","","","","","","1.143","","","","has coordinates","281384","2023-03-04","18:01:13","" "1568409","8.3507","0.001","6.7026","0.0006","15.1667","0.0017","90","","104.077","0.005","90","","823.41","0.15","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C14 H18 Cl4 N2 -","- C14 H18 Cl4 N2 -","- C28 H36 Cl8 N4 -","2","0.5","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0287","0.025","","","0.0662","0.068","","","","","","1.059","","","","has coordinates,has disorder","281384","2023-03-04","18:01:13","" "1568410","13.6718","0.0018","15.798","0.002","15.142","0.002","90","","90","","90","","3270.5","0.7","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H30 Ag B2 F8 N6 -","- C26 H30 Ag B2 F8 N6 -","- C104 H120 Ag4 B8 F32 N24 -","4","0.5","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0589","0.0539","","","0.1249","0.1274","","","","","","1.247","","","","has coordinates,has disorder","281384","2023-03-04","18:01:13","" "1568411","5.3882","0.0007","15.2962","0.0017","7.9427","0.001","90","","105.459","0.004","90","","630.95","0.13","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- As Cl2 F7 -","- As Cl2 F7 -","- As4 Cl8 F28 -","4","1","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0244","0.0243","","","0.0628","0.0629","","","","","","1.221","","","","has coordinates","281384","2023-03-04","18:01:13","" "1568412","12.1157","0.0005","6.2539","0.0003","14.6","0.0006","90","","109.833","0.002","90","","1040.63","0.08","298","2","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Selenanthren","","- C12 H8 Se2 -","- C12 H8 Se2 -","- C48 H32 Se8 -","4","1","","Yang, Zhiqiang; Fu, Zhiyuan; Liu, Haichao; Wu, Min; Li, Nan; Wang, Kai; Zhang, Shi-Tong; Zou, Bo; Yang, Bing","Pressure-induced room-temperature phosphorescence enhancement based on purely organic molecules with a folded geometry.","Chemical science","2023","14","10","2640","2645","10.1039/d3sc00172e","","","0.71073","MoKα","","0.0253","0.0203","","","0.0456","0.0473","","","","","","1.051","","","","has coordinates","282284","2023-04-04","09:54:51","" "1568413","41.4191","0.0017","6.5104","0.0003","14.0699","0.0006","90","","98.7","0.003","90","","3750.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-nitrobenzyl)-4-(perfluorophenyl)isochromane","","- C22 H14 F5 N O3 -","- C22 H14 F5 N O3 -","- C176 H112 F40 N8 O24 -","8","2","","Muller, Cyprien; Horký, Filip; Vayer, Marie; Golushko, Andrei; Lebœuf, David; Moran, Joseph","Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol","Chemical Science","2023","14","11","2983","2989","10.1039/D2SC06692K","","","1.54178","CuKα","","0.1074","0.0826","","","0.2203","0.243","","","","","","1.032","","","","has coordinates","282621","2023-04-13","12:20:29","" "1568414","7.9798","0.0004","10.8805","0.0005","8.421","0.0004","90","","117.053","0.002","90","","651.15","0.06","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C32 H30 N2 O6 -","2","1","","Muller, Cyprien; Horký, Filip; Vayer, Marie; Golushko, Andrei; Lebœuf, David; Moran, Joseph","Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol","Chemical Science","2023","14","11","2983","2989","10.1039/D2SC06692K","","","0.71073","MoKα","","0.0317","0.0306","","","0.0803","0.0819","","","","","","1.063","","","","has coordinates","282621","2023-04-13","12:20:29","" "1568415","7.9718","0.0003","9.2217","0.0003","11.1636","0.0004","100.875","0.001","90.02","0.001","110.526","0.001","752.8","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1-(4-nitrobenzyl)-3a,4,5,6-tetrahydro-1H,3H-benzo[de]isochromene","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C38 H38 N2 O6 -","2","1","","Muller, Cyprien; Horký, Filip; Vayer, Marie; Golushko, Andrei; Lebœuf, David; Moran, Joseph","Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol","Chemical Science","2023","14","11","2983","2989","10.1039/D2SC06692K","","","0.71073","MoKα","","0.0417","0.0387","","","0.1058","0.1088","","","","","","1.066","","","","has coordinates","282621","2023-04-13","12:20:29","" "1568416","8.6103","0.0007","7.9713","0.0005","27.483","0.002","90","","91.244","0.003","90","","1885.9","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(3,5-bis(trifluoromethyl)benzyl)-6,7-dimethoxyisochromane","","- C20 H18 F6 O3 -","- C20 H18 F6 O3 -","- C80 H72 F24 O12 -","4","1","","Muller, Cyprien; Horký, Filip; Vayer, Marie; Golushko, Andrei; Lebœuf, David; Moran, Joseph","Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol","Chemical Science","2023","14","11","2983","2989","10.1039/D2SC06692K","","","0.71073","MoKα","","0.0511","0.0441","","","0.115","0.1214","","","","","","1.055","","","","has coordinates","282621","2023-04-13","12:20:29","" "1568417","21.23","0.013","28.36","0.016","16.32","0.01","90","","105.11","0.007","90","","9486","10","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C105 H121 N9 Ni2 O10 -","- C105 H117 N9 Ni2 O10 -","- C420 H468 N36 Ni8 O40 -","4","1","","Yamashita, Ken-Ichi; Takeuchi, Shouichi; Sugiura, Ken-Ichi","Structurally well-defined conjugated meso-aminoporphyrin oligomers analogous to polyanilines.","Chemical science","2023","14","10","2735","2744","10.1039/d2sc06387e","","","0.71073","MoKα","","0.1819","0.1137","","","0.2902","0.352","","","","","","1.064","","","","has coordinates,has disorder","282280","2023-04-04","09:53:47","" "1568418","23.1585","0.0007","9.2604","0.0003","23.5718","0.0007","90","","114.448","0.002","90","","4601.9","0.3","170","2","170.01","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H70 Fe N4 -","- C51 H70 Fe N4 -","- C204 H280 Fe4 N16 -","4","0.5","","Xiong, Jin; Liu, Qing; Lavina, Barbara; Hu, Michael Y.; Zhao, Jiyong; Alp, Esen E.; Deng, Liang; Ye, Shengfa; Guo, Yisong","Spin polarization assisted facile C-H activation by an S = 1 iron(iv)-bisimido complex: a comprehensive spectroscopic and theoretical investigation.","Chemical science","2023","14","11","2808","2820","10.1039/d2sc06273a","","","1.34139","GaKα","","0.0487","0.043","","","0.1169","0.1222","","","","","","1.093","","","","has coordinates","282299","2023-04-04","10:02:30","" "1568419","14.5261","0.0017","4.3104","0.0005","20.361","0.002","90","","102.088","0.005","90","","1246.6","0.2","300.91","","300.91","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C13 H10 Cl2 N2 O -","- C13 H10 Cl2 N2 O -","- C52 H40 Cl8 N8 O4 -","4","1","","Bhattacharya, Biswajit; Michalchuk, Adam A. L.; Silbernagl, Dorothee; Yasuda, Nobuhiro; Feiler, Torvid; Sturm, Heinz; Emmerling, Franziska","An atomistic mechanism for elasto-plastic bending in molecular crystals.","Chemical science","2023","14","13","3441","3450","10.1039/d2sc06470g","","","0.71073","MoKα","","0.0605","0.0392","","","0.1197","0.1443","","","","","","1.02","","","","has coordinates","282286","2023-04-04","09:55:56","" "1568420","14.3805","0.0011","4.2807","0.0003","20.0178","0.0016","90","","101.319","0.003","90","","1208.3","0.16","100.91","","100.91","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C13 H10 Cl2 N2 O -","- C13 H10 Cl2 N2 O -","- C52 H40 Cl8 N8 O4 -","4","1","","Bhattacharya, Biswajit; Michalchuk, Adam A. L.; Silbernagl, Dorothee; Yasuda, Nobuhiro; Feiler, Torvid; Sturm, Heinz; Emmerling, Franziska","An atomistic mechanism for elasto-plastic bending in molecular crystals.","Chemical science","2023","14","13","3441","3450","10.1039/d2sc06470g","","","0.71073","MoKα","","0.056","0.0512","","","0.1339","0.147","","","","","","1.112","","","","has coordinates","282286","2023-04-04","09:56:07","" "1568421","9.9368","0.0002","17.0962","0.0003","17.1478","0.0003","90","","90","","90","","2913.09","0.09","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 Cl3 N3 O5 -","- C31 H26 Cl3 N3 O5 -","- C124 H104 Cl12 N12 O20 -","4","1","","Chen, Pengquan; Lv, Mei-Jun; Cheng, Jun Kee; Xiang, Shao-Hua; Ren, Xiang-Zhong; Zhang, Junmin; Tan, Bin","Enantioselective construction of triaryl-substituted all-carbon quaternary stereocenters via organocatalytic arylation of oxindoles with azonaphthalenes","Chemical Science","2023","14","9","2330","2335","10.1039/D2SC07103G","","x-ray","1.54178","CuKα","","0.0187","0.0184","","","0.0464","0.0465","","","","","","1.056","","","","has coordinates","281391","2023-03-04","18:02:23","" "1568422","7.4828","0.0003","18.3087","0.0007","18.4701","0.0007","90","","90","","90","","2530.41","0.17","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 F3 N3 O2 S -","- C27 H24 F3 N3 O2 S -","- C108 H96 F12 N12 O8 S4 -","4","1","","Nilova, Aleksandra; Mannchen, Michael D.; Noel, Abdias N.; Semenova, Evgeniya; Grenning, Alexander J.","Vicinal stereocenters via asymmetric allylic alkylation and Cope rearrangement: a straightforward route to functionally and stereochemically rich heterocycles.","Chemical science","2023","14","10","2755","2762","10.1039/d2sc07021a","","","0.71073","MoKα","","0.0491","0.037","","","0.1009","0.1096","","","","","","1.043","","","","has coordinates,has disorder","282283","2023-04-04","09:54:41","" "1568423","11.1508","0.0004","6.3344","0.0002","15.0399","0.0005","90","","99.417","0.001","90","","1048.01","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl N O4 S -","- C23 H24 Cl N O4 S -","- C46 H48 Cl2 N2 O8 S2 -","2","1","","Nilova, Aleksandra; Mannchen, Michael D.; Noel, Abdias N.; Semenova, Evgeniya; Grenning, Alexander J.","Vicinal stereocenters via asymmetric allylic alkylation and Cope rearrangement: a straightforward route to functionally and stereochemically rich heterocycles.","Chemical science","2023","14","10","2755","2762","10.1039/d2sc07021a","","","0.71073","MoKα","","0.0426","0.0345","","","0.0818","0.0849","","","","","","1.074","","","","has coordinates","282283","2023-04-04","09:54:43","" "1568424","9.0235","0.0003","10.1775","0.0004","11.8976","0.0005","81.443","0.002","73.982","0.002","76.298","0.002","1016.25","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 O4 Pd S2 -","- C20 H22 O4 Pd S2 -","- C40 H44 O8 Pd2 S4 -","2","1","","Naksomboon, Kananat; Gómez-Bengoa, Enrique; Mehara, Jaya; Roithová, Jana; Otten, Edwin; Fernández-Ibáñez, M. Ángeles","Mechanistic studies of the palladium-catalyzed S,O-ligand promoted C–H olefination of aromatic compounds","Chemical Science","2023","14","11","2943","2953","10.1039/D2SC06840K","","","0.71073","MoKα","","0.0347","0.0265","","","0.0915","0.1067","","","","","","0.883","","","","has coordinates","282621","2023-04-13","12:20:29","" "1568425","10.1765","0.0004","28.3513","0.0011","9.7423","0.0004","90","","106.951","0.001","90","","2688.7","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 O4 P Pd S -","- C30 H29 O4 P Pd S -","- C120 H116 O16 P4 Pd4 S4 -","4","1","","Naksomboon, Kananat; Gómez-Bengoa, Enrique; Mehara, Jaya; Roithová, Jana; Otten, Edwin; Fernández-Ibáñez, M. Ángeles","Mechanistic studies of the palladium-catalyzed S,O-ligand promoted C–H olefination of aromatic compounds","Chemical Science","2023","14","11","2943","2953","10.1039/D2SC06840K","","","0.71073","MoKα","","0.0585","0.044","","","0.0808","0.0852","","","","","","1.149","","","","has coordinates","282621","2023-04-13","12:20:30","" "1568426","9.7129","0.0004","11.885","0.0004","24.9669","0.0009","90","","90","","90","","2882.12","0.19","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 O2 P Pd S -","- C34 H31 O2 P Pd S -","- C136 H124 O8 P4 Pd4 S4 -","4","1","","Naksomboon, Kananat; Gómez-Bengoa, Enrique; Mehara, Jaya; Roithová, Jana; Otten, Edwin; Fernández-Ibáñez, M. Ángeles","Mechanistic studies of the palladium-catalyzed S,O-ligand promoted C–H olefination of aromatic compounds","Chemical Science","2023","14","11","2943","2953","10.1039/D2SC06840K","","","0.71073","MoKα","","0.0173","0.0163","","","0.0389","0.0392","","","","","","1.086","","","","has coordinates","282621","2023-04-13","12:20:30","" "1568427","9.6976","0.0005","11.8942","0.0007","24.9749","0.0015","90","","90","","90","","2880.7","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 O2 P Pd S -","- C34 H31 O2 P Pd S -","- C136 H124 O8 P4 Pd4 S4 -","4","1","","Naksomboon, Kananat; Gómez-Bengoa, Enrique; Mehara, Jaya; Roithová, Jana; Otten, Edwin; Fernández-Ibáñez, M. Ángeles","Mechanistic studies of the palladium-catalyzed S,O-ligand promoted C–H olefination of aromatic compounds","Chemical Science","2023","14","11","2943","2953","10.1039/D2SC06840K","","","0.71073","MoKα","","0.0164","0.0155","","","0.038","0.0385","","","","","","1.085","","","","has coordinates","282621","2023-04-13","12:20:30","" "1568428","16.0038","0.0001","13.5032","0.0001","25.4153","0.0001","90","","97.519","0.001","90","","5445.08","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H83 Al N4 Si2 -","- C57 H83 Al N4 Si2 -","- C228 H332 Al4 N16 Si8 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0452","0.0395","","","0.1056","0.1104","","","","","","1.012","","","","has coordinates","282290","2023-04-04","09:59:14","" "1568429","21.4197","0.0001","13.5245","0.0001","19.6839","0.0001","90","","103.151","0.001","90","","5552.7","0.06","150","0.1","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C53 H88 Al Cu N4 Si2 -","- C53 H88 Al Cu N4 Si2 -","- C212 H352 Al4 Cu4 N16 Si8 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0278","0.0273","","","0.0729","0.0734","","","","","","1.023","","","","has coordinates,has disorder","282290","2023-04-04","09:59:17","" "1568430","12.225","0.0002","12.4368","0.0002","27.9562","0.0004","81.885","0.001","86.337","0.001","74.292","0.002","4049.28","0.12","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C86 H122 Al Cu N4 Si2 -","- C86 H122 Al Cu N4 Si2 -","- C172 H244 Al2 Cu2 N8 Si4 -","2","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0413","0.0358","","","0.0904","0.0947","","","","","","1.025","","","","has coordinates","282290","2023-04-04","09:59:18","" "1568431","15.0696","0.0004","16.5798","0.0005","20.4317","0.0004","90","","91.457","0.002","90","","5103.2","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H80 Al Cu N4 Si3 -","- C46 H80 Al Cu N4 Si3 -","- C184 H320 Al4 Cu4 N16 Si12 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.071","0.048","","","0.1087","0.1207","","","","","","1.018","","","","has coordinates,has disorder","282290","2023-04-04","09:59:18","" "1568432","16.2074","0.0003","12.7848","0.0002","24.4265","0.0005","90","","100.576","0.002","90","","4975.39","0.16","150","0.2","150","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C188 H320 Al4 Cu4 N16 Si8 -","- C188 H320 Al4 Cu4 N16 Si8 -","- C188 H320 Al4 Cu4 N16 Si8 -","1","0.25","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","0.71073","MoKα","","0.0537","0.0368","","","0.0853","0.0928","","","","","","1.03","","","","has coordinates","282290","2023-04-04","09:59:18","" "1568433","15.0236","0.0001","21.9618","0.0001","21.1294","0.0002","90","","90","","90","","6971.55","0.09","150","0.1","150","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C75 H104 Al Cu N4 Si2 -","- C75 H104 Al Cu N4 Si2 -","- C300 H416 Al4 Cu4 N16 Si8 -","4","0.5","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0424","0.0351","","","0.0917","0.0965","","","","","","1.024","","","","has coordinates","282290","2023-04-04","09:59:18","" "1568434","13.2732","0.0002","17.1411","0.0003","34.2337","0.0006","97.978","0.001","98.341","0.001","96.908","0.002","7553","0.2","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C160 H220 Al2 Cu4 N6 Si4 -","- C160 H220 Al2 Cu4 N6 Si4 -","- C320 H440 Al4 Cu8 N12 Si8 -","2","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","0.71073","MoKα","","0.0612","0.0425","","","0.0943","0.1016","","","","","","1.05","","","","has coordinates,has disorder","282290","2023-04-04","09:59:18","" "1568435","20.8885","0.0002","13.8728","0.0001","19.6118","0.0002","90","","101.347","0.001","90","","5572.06","0.09","150","0.1","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C57 H80 Al Cu N4 Si2 -","- C57 H80 Al Cu N4 Si2 -","- C228 H320 Al4 Cu4 N16 Si8 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.039","0.0371","","","0.0903","0.0921","","","","","","1.031","","","","has coordinates","282290","2023-04-04","09:59:18","" "1568436","12.40965","0.00005","23.21981","0.0001","25.09012","0.00011","90","","92.1704","0.0004","90","","7224.52","0.05","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H112 Al Cu N6 Si2 -","- C74 H112 Al Cu N6 Si2 -","- C296 H448 Al4 Cu4 N24 Si8 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0346","0.031","","","0.0829","0.0857","","","","","","1.031","","","","has coordinates","282290","2023-04-04","09:59:18","" "1568437","13.5126","0.0001","23.3252","0.0001","23.6673","0.0002","90","","105.075","0.001","90","","7202.84","0.09","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H114 Al Cu N6 Si2 -","- C74 H114 Al Cu N6 Si2 -","- C296 H456 Al4 Cu4 N24 Si8 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0495","0.0432","","","0.1129","0.1185","","","","","","1.022","","","","has coordinates","282290","2023-04-04","09:59:18","" "1568438","12.6138","0.0003","20.7585","0.0004","22.1325","0.0004","90","","93.689","0.002","90","","5783.2","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H88 Al Cu N4 Si4 -","- C51 H88 Al Cu N4 Si4 -","- C204 H352 Al4 Cu4 N16 Si16 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","0.71073","MoKα","","0.0509","0.0348","","","0.0844","0.092","","","","","","1.039","","","","has coordinates,has disorder","282290","2023-04-04","09:59:18","" "1568439","10.1214","0.0002","22.1032","0.0005","16.8012","0.0004","90","","106.045","0.001","90","","3612.27","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Ga P -","- C40 H52 Ga P -","- C160 H208 Ga4 P4 -","4","1","","Taeufer, T.; Dankert, F.; Michalik, D.; Pospech, J.; Bresien, J.; Hering-Junghans, C","Photochemical formation and reversible base-induced cleavage of a phosphagallene.","Chemical science","2023","14","11","3018","3023","10.1039/d2sc06292e","","","1.54178","CuKα","","0.0416","0.0344","","","0.0847","0.0902","","","","","","1.028","","","","has coordinates","282291","2023-04-04","09:59:50","" "1568440","10.6093","0.0002","12.7651","0.0002","20.7583","0.0003","80.862","0.001","81.858","0.001","65.926","0.001","2524.94","0.07","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H64 Ga P -","- C46 H64 Ga P -","- C92 H128 Ga2 P2 -","2","1","","Taeufer, T.; Dankert, F.; Michalik, D.; Pospech, J.; Bresien, J.; Hering-Junghans, C","Photochemical formation and reversible base-induced cleavage of a phosphagallene.","Chemical science","2023","14","11","3018","3023","10.1039/d2sc06292e","","","1.54178","CuKα","","0.0424","0.0391","","","0.1078","0.1109","","","","","","1.041","","","","has coordinates,has disorder","282291","2023-04-04","09:59:53","" "1568441","11.9426","0.001","18.1472","0.0016","12.6846","0.001","90","","98.094","0.003","90","","2721.7","0.4","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H37 O P -","- C31 H37 O P -","- C124 H148 O4 P4 -","4","1","","Taeufer, T.; Dankert, F.; Michalik, D.; Pospech, J.; Bresien, J.; Hering-Junghans, C","Photochemical formation and reversible base-induced cleavage of a phosphagallene.","Chemical science","2023","14","11","3018","3023","10.1039/d2sc06292e","","","1.54178","CuKα","","0.0357","0.0342","","","0.0893","0.0908","","","","","","1.039","","","","has coordinates","282291","2023-04-04","10:00:03","" "1568442","9.4139","0.0004","9.7021","0.0004","10.4201","0.0004","63.457","0.001","80.694","0.002","85.381","0.001","840.16","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 Br N P -","- C19 H19 Br N P -","- C38 H38 Br2 N2 P2 -","2","1","","Ong, How Chee; Coimbra, João T S; Ramos, Maria J.; Xing, Bengang; Fernandes, Pedro A.; García, Felipe","Beyond the TPP+ ""gold standard"": a new generation mitochondrial delivery vector based on extended PN frameworks.","Chemical science","2023","14","15","4126","4133","10.1039/d2sc06508h","","","0.71073","MoKα","","0.1153","0.0496","","","0.0857","0.1048","","","","","","1.016","","","","has coordinates","283188","2023-05-05","01:12:47","" "1568443","10.6424","0.0012","12.4166","0.0015","14.4706","0.0017","90","","93.167","0.004","90","","1909.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Br P -","- C21 H22 Br P -","- C84 H88 Br4 P4 -","4","1","","Ong, How Chee; Coimbra, João T S; Ramos, Maria J.; Xing, Bengang; Fernandes, Pedro A.; García, Felipe","Beyond the TPP+ ""gold standard"": a new generation mitochondrial delivery vector based on extended PN frameworks.","Chemical science","2023","14","15","4126","4133","10.1039/d2sc06508h","","","0.71073","MoKα","","0.1175","0.0504","","","0.0727","0.0874","","","","","","0.998","","","","has coordinates","283188","2023-05-05","01:12:47","" "1568444","13.9907","0.0003","14.6428","0.0004","21.7567","0.0006","90","","90","","90","","4457.1","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H29 Br N O P -","- C23 H29 Br N O P -","- C184 H232 Br8 N8 O8 P8 -","8","1","","Ong, How Chee; Coimbra, João T S; Ramos, Maria J.; Xing, Bengang; Fernandes, Pedro A.; García, Felipe","Beyond the TPP+ ""gold standard"": a new generation mitochondrial delivery vector based on extended PN frameworks.","Chemical science","2023","14","15","4126","4133","10.1039/d2sc06508h","","","0.71073","MoKα","","0.0807","0.0425","","","0.0821","0.0954","","","","","","1.036","","","","has coordinates","283188","2023-05-05","01:12:47","" "1568445","10.3306","0.0009","10.6126","0.0009","13.3397","0.0011","82.341","0.003","72.934","0.003","82.482","0.003","1379.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30.5 Br N O0.25 P2 -","- C32 H30.5 Br N O0.25 P2 -","- C64 H61 Br2 N2 O0.5 P4 -","2","1","","Ong, How Chee; Coimbra, João T S; Ramos, Maria J.; Xing, Bengang; Fernandes, Pedro A.; García, Felipe","Beyond the TPP+ ""gold standard"": a new generation mitochondrial delivery vector based on extended PN frameworks.","Chemical science","2023","14","15","4126","4133","10.1039/d2sc06508h","","","0.71073","MoKα","","0.1151","0.0528","","","0.1044","0.1276","","","","","","1.017","","","","has coordinates","283188","2023-05-05","01:12:47","" "1568446","8.3434","0.0002","9.5869","0.0003","25.257","0.0006","90","","90","","90","","2020.24","0.09","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O2 S -","- C24 H23 N O2 S -","- C96 H92 N4 O8 S4 -","4","1","","Liu, Xin-Lian; Lin, Han-Ze; Tan, Lu-Qi; Peng, Jin-Bao","Palladium- and Brønsted acid-catalyzed enantio-, site- and E/Z-selective addition of alkylidenecyclopropanes with imines","Chemical Science","2023","14","9","2348","2352","10.1039/D2SC05674G","","x-ray","1.54184","CuKα","","0.0387","0.0376","","","0.0931","0.0937","","","","","","1.071","","","","has coordinates","281386","2023-03-04","18:01:40","" "1568447","11.1005","0.0004","11.3249","0.0004","18.9146","0.0004","103.931","0.002","93.575","0.002","116.835","0.004","2018.76","0.14","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H56 Fe2 N4 -","- C44 H56 Fe2 N4 -","- C88 H112 Fe4 N8 -","2","1","","McWilliams, Sean F.; Mercado, Brandon Q.; MacLeod, K. Cory; Fataftah, Majed S.; Tarrago, Maxime; Wang, Xiaoping; Bill, Eckhard; Ye, Shengfa; Holland, Patrick L.","Dynamic effects on ligand field from rapid hydride motion in an iron(ii) dimer with an S = 3 ground state","Chemical Science","2023","14","9","2303","2312","10.1039/D2SC06412J","","","1.54184","CuKα","","0.0909","0.0708","","","0.2625","0.2948","","","","","","1.031","","","","has coordinates","281385","2023-03-04","18:01:32","" "1568448","11.9085","0.0004","11.0443","0.0004","17.499","0.0007","90","","94.175","0.002","90","","2295.38","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H64 Fe2 N4 -","- C51 H64 Fe2 N4 -","- C102 H128 Fe4 N8 -","2","1","","McWilliams, Sean F.; Mercado, Brandon Q.; MacLeod, K. Cory; Fataftah, Majed S.; Tarrago, Maxime; Wang, Xiaoping; Bill, Eckhard; Ye, Shengfa; Holland, Patrick L.","Dynamic effects on ligand field from rapid hydride motion in an iron(ii) dimer with an S = 3 ground state","Chemical Science","2023","14","9","2303","2312","10.1039/D2SC06412J","","","0.7749","Synchrotron","","0.0338","0.0291","","","0.0658","0.0678","","","","","","1.04","","","","has coordinates","281385","2023-03-04","18:01:32","" "1568449","11.8009","0.0005","10.9639","0.0004","17.4087","0.0007","90","","94.329","0.004","90","","2245.98","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H62.15 D1.85 Fe2 N4 -","- C51 H62.15 D1.85 Fe2 N4 -","- C102 H124.3 D3.7 Fe4 N8 -","2","1","","McWilliams, Sean F.; Mercado, Brandon Q.; MacLeod, K. Cory; Fataftah, Majed S.; Tarrago, Maxime; Wang, Xiaoping; Bill, Eckhard; Ye, Shengfa; Holland, Patrick L.","Dynamic effects on ligand field from rapid hydride motion in an iron(ii) dimer with an S = 3 ground state","Chemical Science","2023","14","9","2303","2312","10.1039/D2SC06412J","","","0.6","neutrons","","0.0689","0.0642","","","0.1228","0.1261","","","","","","1.042","","","","has coordinates,has disorder","281385","2023-03-04","18:01:32","" "1568450","11.8026","0.0003","10.9628","0.0003","17.4178","0.0005","90","","94.36","0.003","90","","2247.16","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H64 Fe2 N4 -","- C51 H64 Fe2 N4 -","- C102 H128 Fe4 N8 -","2","1","","McWilliams, Sean F.; Mercado, Brandon Q.; MacLeod, K. Cory; Fataftah, Majed S.; Tarrago, Maxime; Wang, Xiaoping; Bill, Eckhard; Ye, Shengfa; Holland, Patrick L.","Dynamic effects on ligand field from rapid hydride motion in an iron(ii) dimer with an S = 3 ground state","Chemical Science","2023","14","9","2303","2312","10.1039/D2SC06412J","","","0.6","neutrons","","0.0633","0.0568","","","0.1134","0.1175","","","","","","1.025","","","","has coordinates","281385","2023-03-04","18:01:32","" "1568451","9.1643","0.0007","9.1814","0.0007","10.4783","0.0009","90","","115.381","0.006","90","","796.56","0.12","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-hydroxy-2-methyl-1H-quinazolin-4-one","","- C9 H8 N2 O2 -","- C9 H8 N2 O2 -","- C36 H32 N8 O8 -","4","1","","Koleda, Olesja; Prenzel, Tobias; Winter, Johannes; Hirohata, Tomoki; de Jesús Gálvez-Vázquez, María; Schollmeyer, Dieter; Inagi, Shinsuke; Suna, Edgars; Waldvogel, Siegfried R.","Simple and scalable electrosynthesis of 1H-1-hydroxy-quinazolin-4-ones","Chemical Science","2023","14","10","2669","2675","10.1039/D3SC00266G","","","0.71073","MoKα","","0.0961","0.0645","","","0.1532","0.1769","","","","","","1.123","","","","has coordinates","282621","2023-04-13","12:20:30","" "1568452","9.3198","0.0003","11.1833","0.0004","26.6506","0.0007","90","","99.812","0.001","90","","2737.06","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H34 N2 O -","- C35 H34 N2 O -","- C140 H136 N8 O4 -","4","1","","Tan, Guangying; Paulus, Fritz; Petti, Alessia; Wiethoff, Maxim-Aleksa; Lauer, Anna; Daniliuc, Constantin; Glorius, Frank","Metal-free photosensitized radical relay 1,4-carboimination across two distinct olefins","Chemical Science","2023","14","9","2447","2454","10.1039/D2SC06497A","","single crystal","0.71073","MoKα","","0.057","0.0423","","","0.0926","0.1006","","","","","","1.059","","","","has coordinates","281388","2023-03-04","18:01:57","" "1568453","9.1685","0.0004","7.7161","0.0003","16.7661","0.0006","90","","99.439","0.004","90","","1170.06","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H2 F3 I3 N -","- C8 H2 F3 I3 N -","- C32 H8 F12 I12 N4 -","4","1","","Kumar, Lavanya; Leko, Katarina; Nemec, Vinko; Trzybiński, Damian; Bregović, Nikola; Cinčić, Dominik; Arhangelskis, Mihails","Computational evaluation of halogen-bonded cocrystals enables prediction of their mechanochemical interconversion reactions","Chemical Science","2023","14","12","3140","3146","10.1039/D2SC06770F","","x-ray","0.71073","MoKα","","0.0484","0.0463","","","0.1135","0.1156","","","","","","1.159","","","","has coordinates","282621","2023-04-13","12:20:30","" "1568454","14.3154","0.0003","26.4615","0.0006","6.2605","0.0002","90","","90","","90","","2371.52","0.11","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C25 H28 B F4 N O2 -","- C25 H28 B F4 N O2 -","- C100 H112 B4 F16 N4 O8 -","4","1","","Wu, Fu-Peng; Gu, Xing-Wei; Geng, Hui-Qing; Wu, Xiao-Feng","Copper-catalyzed defluorinative arylboration of vinylarenes with polyfluoroarenes","Chemical Science","2023","14","9","2342","2347","10.1039/D2SC06472C","","","1.54178","CuKα","","0.0399","0.0395","","","0.1032","0.1038","","","","","","1.066","","","","has coordinates,has disorder","281387","2023-03-04","18:01:48","" "1568455","8.6133","0.0004","14.6051","0.0006","15.5136","0.0008","62.663","0.002","79.227","0.002","82.934","0.002","1701.53","0.14","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C33 H26 Au F7 N3 O4 P S2 -","- C33 H26 Au F7 N3 O4 P S2 -","- C66 H52 Au2 F14 N6 O8 P2 S4 -","2","1","","Dhara, Ayan; Fadler, Rachel E.; Chen, Yusheng; Köttner, Laura A; Van Craen, David; Carta, Veronica; Flood, Amar H.","Orthogonal, modular anion-cation and cation-anion self-assembly using pre-programmed anion binding sites.","Chemical science","2023","14","10","2585","2595","10.1039/d2sc05121d","","","0.71073","MoKα","","0.0229","0.0213","","","0.0506","0.0514","","","","","","1.03","","","","has coordinates,has disorder","283150","2023-05-05","00:54:22","" "1568456","8.7612","0.0011","13.2409","0.0016","17.624","0.002","93.211","0.006","98.646","0.006","97.221","0.006","1999.4","0.4","100","2","100","","","","","","","","","6","P -1","-P 1","2","","ITIC-Th","","- C88 H78 Br4 N4 O2 S8 -","- C88 H78 Br4 N4 O2 S8 -","- C88 H78 Br4 N4 O2 S8 -","1","0.5","","Zhu, Weigang; Li, Guoping; Mukherjee, Subhrangsu; Powers-Riggs, Natalia E.; Jones, Leighton O.; Gann, Eliot; Kline, R. Joseph; Herzing, Andrew; Logsdon, Jenna L.; Flagg, Lucas; Stern, Charlotte L.; Young, Ryan M.; Kohlstedt, Kevin L.; Schatz, George C.; DeLongchamp, Dean M.; Wasielewski, Michael R.; Melkonyan, Ferdinand S.; Facchetti, Antonio; Marks, Tobin J.","Quantitative relationships between film morphology, charge carrier dynamics, and photovoltaic performance in bulk-heterojunction binary vs. ternary acceptor blends","Energy & Environmental Science","2023","16","3","1234","1250","10.1039/D2EE03883H","","","1.54178","CuKα","","0.041","0.0375","","","0.1002","0.1024","","","","","","1.05","","","","has coordinates","282340","2023-04-04","10:18:59","" "1568457","35.828","0.002","18.4081","0.0009","6.6356","0.0003","90","","90","","90","","4376.3","0.4","150.15","","150.15","","","","","","","","","5","I b a m","-I 2 2c","72","","Cyano[acetyl 3,5-di(2-pyridyl)phenyl]platinum","","- C19 H13 N3 O8 Pt -","- C19 H13 N3 O8 Pt -","- C152 H104 N24 O64 Pt8 -","8","0.5","","Bryant, Mathew J.; Fuertes, Sara; Hatcher, Lauren E.; Thomas, Lynne H.; Raithby, Paul R.","Structural modifications to platinum(II) pincer complexes resulting in changes in their vapochromic and solvatochromic properties.","Faraday discussions","2023","244","0","411","433","10.1039/d3fd00025g","","","1.54184","CuKα","","0.1065","0.0813","","","0.2449","0.275","","","","","","1.066","","","","has coordinates,has disorder","286130","2023-09-05","19:54:16","" "1568458","6.8945","0.0002","15.5988","0.0004","14.7127","0.0005","90","","102.975","0.003","90","","1541.89","0.08","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cyano[acetyl 3,5-di(2-pyridyl)phenyl]platinum","","- C19 H13 N3 O Pt -","- C19 H13 N3 O Pt -","- C76 H52 N12 O4 Pt4 -","4","1","","Bryant, Mathew J.; Fuertes, Sara; Hatcher, Lauren E.; Thomas, Lynne H.; Raithby, Paul R.","Structural modifications to platinum(II) pincer complexes resulting in changes in their vapochromic and solvatochromic properties.","Faraday discussions","2023","244","0","411","433","10.1039/d3fd00025g","","","0.71073","MoKα","","0.0501","0.029","","","0.0402","0.0448","","","","","","1.037","","","","has coordinates","286130","2023-09-05","19:54:18","" "1568459","7.273","0.0002","11.5993","0.0002","21.8397","0.0004","87.882","0.002","85.973","0.002","83.861","0.002","1826.54","0.07","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","Cyano[acetyl 3,5-di(2-pyridyl)phenyl]platinum","","- C41 H32 Cl2 N6 O4 Pt2 -","- C41 H32 Cl2 N6 O4 Pt2 -","- C82 H64 Cl4 N12 O8 Pt4 -","2","1","","Bryant, Mathew J.; Fuertes, Sara; Hatcher, Lauren E.; Thomas, Lynne H.; Raithby, Paul R.","Structural modifications to platinum(II) pincer complexes resulting in changes in their vapochromic and solvatochromic properties.","Faraday discussions","2023","244","0","411","433","10.1039/d3fd00025g","","","1.54184","CuKα","","0.0507","0.0479","","","0.1283","0.1325","","","","","","1.036","","","","has coordinates","286130","2023-09-05","19:54:20","" "1568460","16.3158","0.0003","17.0494","0.0003","17.7725","0.0004","61.57","0.001","70.355","0.001","68.327","0.001","3961.72","0.14","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C81 H90 Cl2 Ni5 S10 -","- C81 H90 Cl2 Ni5 S10 -","- C162 H180 Cl4 Ni10 S20 -","2","1","","Funaki, Sota; Kawawaki, Tokuhisa; Okada, Tomoshige; Takemae, Kana; Hossain, Sakiat; Niihori, Yoshiki; Naito, Takumi; Takagi, Makito; Shimazaki, Tomomi; Kikkawa, Soichi; Yamazoe, Seiji; Tachikawa, Masanori; Negishi, Yuichi","Improved activity for the oxygen evolution reaction using a tiara-like thiolate-protected nickel nanocluster.","Nanoscale","2023","15","11","5201","5208","10.1039/d2nr06952k","","x-ray","0.71073","MoKα","","0.037","0.0331","","","0.0726","0.0756","","","","","","1.019","","","","has coordinates","282342","2023-04-04","10:20:01","" "1568461","3.9473","0.0002","11.3841","0.0005","32.7877","0.0016","90","","90","","90","","1473.36","0.12","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O2 S2 -","- C17 H16 O2 S2 -","- C68 H64 O8 S8 -","4","1","","Mang, André; Rotthowe, Nils; Beltako, Katawoura; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.","Single-molecule conductance studies on quasi- and metallaaromatic dibenzoylmethane coordination compounds and their aromatic analogs.","Nanoscale","2023","15","11","5305","5316","10.1039/d2nr05670d","","","0.71073","MoKα","","0.0521","0.0395","","","0.0931","0.1134","","","","","","1.118","","","","has coordinates","283372","2023-05-05","02:51:10","" "1568462","9.4517","0.0003","23.2662","0.0004","10.4808","0.0007","90","","90","","90","","2304.78","0.17","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H27 O2 Rh S2 -","- C25 H27 O2 Rh S2 -","- C100 H108 O8 Rh4 S8 -","4","0.5","","Mang, André; Rotthowe, Nils; Beltako, Katawoura; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.","Single-molecule conductance studies on quasi- and metallaaromatic dibenzoylmethane coordination compounds and their aromatic analogs.","Nanoscale","2023","15","11","5305","5316","10.1039/d2nr05670d","","","0.71073","MoKα","","0.0417","0.0325","","","0.0643","0.0674","","","","","","1.154","","","","has coordinates,has disorder","283372","2023-05-05","02:51:13","" "1568463","9.9782","0.0004","12.4346","0.0005","17.8296","0.0007","73.003","0.003","80.029","0.003","78.029","0.003","2054.55","0.15","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H60 Cl2 O3 P2 Ru S2 -","- C37 H60 Cl2 O3 P2 Ru S2 -","- C74 H120 Cl4 O6 P4 Ru2 S4 -","2","1","","Mang, André; Rotthowe, Nils; Beltako, Katawoura; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.","Single-molecule conductance studies on quasi- and metallaaromatic dibenzoylmethane coordination compounds and their aromatic analogs.","Nanoscale","2023","15","11","5305","5316","10.1039/d2nr05670d","","x-ray","0.71073","MoKα","","0.0605","0.0477","","","0.1262","0.1334","","","","","","1.049","","","","has coordinates","283372","2023-05-05","02:51:14","" "1568464","8.7932","0.0006","21.5764","0.0009","32.252","0.002","90","","95.172","0.005","90","","6094.1","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H46 B2 F20 O4 S4 -","- C65 H46 B2 F20 O4 S4 -","- C260 H184 B8 F80 O16 S16 -","4","1","","Mang, André; Rotthowe, Nils; Beltako, Katawoura; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.","Single-molecule conductance studies on quasi- and metallaaromatic dibenzoylmethane coordination compounds and their aromatic analogs.","Nanoscale","2023","15","11","5305","5316","10.1039/d2nr05670d","","","0.71073","MoKα","","0.1484","0.0515","","","0.0978","0.1244","","","","","","0.828","","","","has coordinates,has disorder","283372","2023-05-05","02:51:14","" "1568465","15.233","0.0002","15.233","0.0002","31.8165","0.0008","90","","90","","120","","6393.7","0.2","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C105 Br19 Mn2 N6 Pb3 -","- C105 Br19 Mn2 N6 Pb3 -","- C210 Br38 Mn4 N12 Pb6 -","2","0.166667","","Zhang, Zhipeng; Liao, Jin-Feng; Xing, Guichuan","Regulating the coordination geometry of polyhedra in zero-dimensional metal halides for tunable emission.","Nanoscale","2023","15","11","5241","5248","10.1039/d2nr06975j","","","1.54178","CuKα","","0.1584","0.1432","","","0.3811","0.3947","","","","","","2.829","","","","has coordinates","282345","2023-04-04","10:21:06","" "1568466","15.1977","0.0002","15.1977","0.0002","31.6698","0.0005","90","","90","","120","","6334.78","0.15","149.98","0.1","149.98","0.1","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C60 Br19 N6 Pb3 Zn2 -","- C60 Br19 N6 Pb3 Zn2 -","- C120 Br38 N12 Pb6 Zn4 -","2","0.166667","","Zhang, Zhipeng; Liao, Jin-Feng; Xing, Guichuan","Regulating the coordination geometry of polyhedra in zero-dimensional metal halides for tunable emission.","Nanoscale","2023","15","11","5241","5248","10.1039/d2nr06975j","","","1.54178","CuKα","","0.0659","0.0591","","","0.1717","0.1791","","","","","","1.064","","","","has coordinates","282345","2023-04-04","10:21:06","" "1568467","20.4084","0.0009","8.4516","0.0004","18.5924","0.0008","90","","122.186","0.001","90","","2714.1","0.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H44 Br4 N2 Pb -","- C20 H44 Br4 N2 Pb -","- C80 H176 Br16 N8 Pb4 -","4","0.5","","Zhang, Zhipeng; Liao, Jin-Feng; Xing, Guichuan","Regulating the coordination geometry of polyhedra in zero-dimensional metal halides for tunable emission.","Nanoscale","2023","15","11","5241","5248","10.1039/d2nr06975j","","","0.71073","MoKα","","0.0224","0.022","","","0.0598","0.06","","","","","","1.118","","","","has coordinates","282345","2023-04-04","10:21:06","" "1568468","8.3546","0.0006","10.7094","0.0008","17.5246","0.0012","90","","97.648","0.001","90","","1554.03","0.19","298.15","","298.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 Al N2 -","- C16 H21 Al N2 -","- C64 H84 Al4 N8 -","4","1","","Tang, Jian; Xu, Zijian; Liu, Zelong; Fu, Yuan; Hua, Jing","Pyridine-amido aluminum catalyst precursors for 1,3-butadiene transition-metal-free stereospecific polymerization","Polymer Chemistry","2023","14","8","980","989","10.1039/D2PY01093C","","x-ray","0.71073","MoKα","","0.0701","0.0461","","","0.1184","0.1302","","","","","","1.026","","","","has coordinates","281605","2023-03-04","18:46:44","" "1568469","8.8305","0.0014","12.0231","0.0019","16.87","0.003","90","","90","","90","","1791.1","0.5","298.15","","298.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Al N2 -","- C18 H25 Al N2 -","- C72 H100 Al4 N8 -","4","1","","Tang, Jian; Xu, Zijian; Liu, Zelong; Fu, Yuan; Hua, Jing","Pyridine-amido aluminum catalyst precursors for 1,3-butadiene transition-metal-free stereospecific polymerization","Polymer Chemistry","2023","14","8","980","989","10.1039/D2PY01093C","","x-ray","0.71073","MoKα","","0.1579","0.0567","","","0.1001","0.1251","","","","","","1.002","","","","has coordinates","281605","2023-03-04","18:46:54","" "1568470","8.6071","0.0014","16.636","0.003","15.272","0.003","90","","91.136","0.006","90","","2186.3","0.7","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H33 Al N2 -","- C22 H33 Al N2 -","- C88 H132 Al4 N8 -","4","1","","Tang, Jian; Xu, Zijian; Liu, Zelong; Fu, Yuan; Hua, Jing","Pyridine-amido aluminum catalyst precursors for 1,3-butadiene transition-metal-free stereospecific polymerization","Polymer Chemistry","2023","14","8","980","989","10.1039/D2PY01093C","","x-ray","0.71073","MoKα","","0.1409","0.0722","","","0.173","0.2165","","","","","","1.055","","","","has coordinates","281605","2023-03-04","18:46:54","" "1568471","14.4175","0.0013","8.7391","0.0008","14.9864","0.0013","90","","110.192","0.001","90","","1772.2","0.3","298.15","","298.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Al F5 N2 -","- C16 H16 Al F5 N2 -","- C64 H64 Al4 F20 N8 -","4","1","","Tang, Jian; Xu, Zijian; Liu, Zelong; Fu, Yuan; Hua, Jing","Pyridine-amido aluminum catalyst precursors for 1,3-butadiene transition-metal-free stereospecific polymerization","Polymer Chemistry","2023","14","8","980","989","10.1039/D2PY01093C","","x-ray","0.71073","MoKα","","0.0835","0.0518","","","0.1396","0.1584","","","","","","1.038","","","","has coordinates","281605","2023-03-04","18:46:54","" "1568472","8.0744","0.0004","12.6305","0.0008","18.8429","0.0011","90","","90","","90","","1921.67","0.19","300","","300","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Al N2 -","- C19 H27 Al N2 -","- C76 H108 Al4 N8 -","4","1","","Tang, Jian; Xu, Zijian; Liu, Zelong; Fu, Yuan; Hua, Jing","Pyridine-amido aluminum catalyst precursors for 1,3-butadiene transition-metal-free stereospecific polymerization","Polymer Chemistry","2023","14","8","980","989","10.1039/D2PY01093C","","x-ray","0.71073","MoKα","","0.0853","0.0504","","","0.1168","0.1332","","","","","","1.03","","","","has coordinates","281605","2023-03-04","18:46:54","" "1568473","8.5573","0.0006","8.8128","0.0006","13.3517","0.0009","87.309","0.001","77.928","0.001","89.453","0.001","983.55","0.12","298.15","","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Al F6 N2 -","- C18 H19 Al F6 N2 -","- C36 H38 Al2 F12 N4 -","2","1","","Tang, Jian; Xu, Zijian; Liu, Zelong; Fu, Yuan; Hua, Jing","Pyridine-amido aluminum catalyst precursors for 1,3-butadiene transition-metal-free stereospecific polymerization","Polymer Chemistry","2023","14","8","980","989","10.1039/D2PY01093C","","x-ray","0.71073","MoKα","","0.0801","0.0503","","","0.128","0.1431","","","","","","1.034","","","","has coordinates,has disorder","281605","2023-03-04","18:46:54","" "1568474","5.177","0.0004","10.4037","0.0011","15.1011","0.0011","100.491","0.004","97.244","0.004","96.51","0.004","785.58","0.12","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H42 N4 O4 S2 -","- C30 H42 N4 O4 S2 -","- C30 H42 N4 O4 S2 -","1","0.5","","Yang, Wei; Zhang, Dayong; Yu, Junsheng; Zhang, Qing","Carboxamide and carbamate substituted π-conjugated polymers: the effect of hydrogen bonding on photovoltaic properties","Polymer Chemistry","2023","14","7","839","847","10.1039/D2PY01329K","","","1.54178","CuKα","","0.1086","0.0978","","","0.3007","0.3232","","","","","","1.356","","","","has coordinates","281040","2023-02-20","13:17:37","" "1568475","5.1062","0.0002","15.6416","0.0006","18.7651","0.0007","82.251","0.002","89.811","0.002","86.607","0.002","1482.45","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H82 N8 O4 S4 -","- C60 H82 N8 O4 S4 -","- C60 H82 N8 O4 S4 -","1","0.5","","Yang, Wei; Zhang, Dayong; Yu, Junsheng; Zhang, Qing","Carboxamide and carbamate substituted π-conjugated polymers: the effect of hydrogen bonding on photovoltaic properties","Polymer Chemistry","2023","14","7","839","847","10.1039/D2PY01329K","","","1.54178","CuKα","","0.1537","0.1062","","","0.2796","0.3196","","","","","","1.022","","","","has coordinates","281040","2023-02-20","13:17:38","" "1568476","9.8279","0.0007","9.8279","0.0007","8.0179","0.0009","90","","90","","120","","670.68","0.1","100","2","99.97","0.12","","","","","","","","4","P 63 c m","P 6c -2","185","","","","- C36 H30 B P -","- C36 H30 B P -","- C36 H30 B P -","1","0.0833333","","Zapf, Ludwig; Riethmann, Melanie; Föhrenbacher, Steffen A.; Finze, Maik; Radius, Udo","An easy-to-perform evaluation of steric properties of Lewis acids","Chemical Science","2023","14","9","2275","2288","10.1039/D3SC00037K","","x-ray","1.54184","CuKα","","0.0693","0.0536","","","0.1434","0.1562","","","","","","1.107","","","","has coordinates,has disorder","281389","2023-03-04","18:02:05","" "1568477","10.4114","0.0014","8.5418","0.0011","17.017","0.002","90","","92.924","0.004","90","","1511.4","0.3","150","0.1","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N5 Pd -","- C17 H15 N5 Pd -","- C68 H60 N20 Pd4 -","4","1","","Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs","Chemical Science","2023","14","10","2676","2685","10.1039/D2SC06933D","","","0.71069","MoKα","","0.0451","0.0274","","","0.0621","0.0682","","","","","","1.026","","","","has coordinates","282621","2023-04-13","12:20:30","" "1568478","14.758","0.004","17.469","0.005","20.212","0.006","101.902","0.007","102.431","0.007","113.691","0.007","4403","2","149.99","","149.99","","","","","","","","","6","P -1","-P 1","2","","","","- C98 H138 N10 O6 Pd2 Yb2 -","- C82 H106 N10 O2 Pd2 Yb2 -","- C164 H212 N20 O4 Pd4 Yb4 -","2","1","","Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs","Chemical Science","2023","14","10","2676","2685","10.1039/D2SC06933D","","","0.71073","MoKα","","0.153","0.0674","","","0.1502","0.1898","","","","","","0.999","","","","has coordinates","282621","2023-04-13","12:20:30","" "1568479","14.7945","0.0004","34.6792","0.0012","17.851","0.0005","90","","111.427","0.002","90","","8525.6","0.5","149.99","","149.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C95 H114 N10 Pd2 Yb2 -","- C95 H114 N10 Pd2 Yb2 -","- C380 H456 N40 Pd8 Yb8 -","4","1","","Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs","Chemical Science","2023","14","10","2676","2685","10.1039/D2SC06933D","","","0.71073","MoKα","","0.0902","0.0515","","","0.1148","0.1371","","","","","","1.02","","","","has coordinates,has disorder","282621","2023-04-13","12:20:30","" "1568480","8.508","0.0009","16.1094","0.0016","21.445","0.002","90","","91.493","0.002","90","","2938.2","0.5","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H51 Pd Yb -","- C32 H51 Pd Yb -","- C128 H204 Pd4 Yb4 -","4","1","","Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs","Chemical Science","2023","14","10","2676","2685","10.1039/D2SC06933D","","","0.71073","MoKα","","0.0386","0.0275","","","0.0588","0.0645","","","","","","1.106","","","","has coordinates","282621","2023-04-13","12:20:30","" "1568481","15.7166","0.0004","13.6208","0.0003","26.5397","0.0006","90","","91.637","0.001","90","","5679.1","0.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H84 N2 Pd Yb2 -","- C64 H84 N2 Pd Yb2 -","- C256 H336 N8 Pd4 Yb8 -","4","0.5","","Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs","Chemical Science","2023","14","10","2676","2685","10.1039/D2SC06933D","","","0.71069","MoKα","","0.0324","0.0294","","","0.0709","0.0725","","","","","","1.076","","","","has coordinates","282621","2023-04-13","12:20:30","" "1568482","15.7006","0.0011","13.8198","0.0008","26.6978","0.0017","90","","91.602","0.003","90","","5790.6","0.6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H84 N2 Pd Sm2 -","- C64 H84 N2 Pd Sm2 -","- C256 H336 N8 Pd4 Sm8 -","4","0.5","","Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs","Chemical Science","2023","14","10","2676","2685","10.1039/D2SC06933D","","","0.71069","MoKα","","0.0594","0.0378","","","0.0685","0.0739","","","","","","0.891","","","","has coordinates","282621","2023-04-13","12:20:30","" "1568483","16.934","0.005","19.721","0.006","18.703","0.006","90","","90.809","0.004","90","","6245","3","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","CDACuSbI","","- C12 H33 Cu I8 N4 O0.5 Sb -","- C12 H33 Cu I8 N4 O0.5 Sb -","- C96 H264 Cu8 I64 N32 O4 Sb8 -","8","2","","Li, Qian-Wen; Bi, Le-Yu; Lassoued, Mohamed Saber; Luo, Qian-Cheng; Yan, Rong; Ding, Xin-Kai; Gou, Gao-Yang; Zheng, Yan-Zhen","Two-dimensional semiconducting Cu(I)/Sb(III) bimetallic hybrid iodides with a double perovskite structure and photocurrent response.","Nanoscale","2023","15","11","5265","5273","10.1039/d2nr06996b","","","0.71073","MoKα","","0.0997","0.0441","","","0.0774","0.0939","","","","","","0.987","","","","has coordinates","282344","2023-04-04","10:20:42","" "1568484","32.362","0.01","8.491","0.002","19.599","0.006","90","","125.168","0.003","90","","4402","2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(CA)4CuSbI8H2O","","- C24 H58 Cu I8 N4 O Sb -","- C24 H58 Cu I8 N4 O Sb -","- C96 H232 Cu4 I32 N16 O4 Sb4 -","4","0.5","","Li, Qian-Wen; Bi, Le-Yu; Lassoued, Mohamed Saber; Luo, Qian-Cheng; Yan, Rong; Ding, Xin-Kai; Gou, Gao-Yang; Zheng, Yan-Zhen","Two-dimensional semiconducting Cu(I)/Sb(III) bimetallic hybrid iodides with a double perovskite structure and photocurrent response.","Nanoscale","2023","15","11","5265","5273","10.1039/d2nr06996b","","","0.71073","MoKα","","0.0928","0.0483","","","0.11","0.1274","","","","","","1.027","","","","has coordinates","282344","2023-04-04","10:20:49","" "1568485","16.1038","0.0017","24.54","0.003","26.56","0.002","90","","95.069","0.004","90","","10455.1","1.9","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C124 H102 O2 -","- C124 H102 O2 -","- C496 H408 O8 -","4","0.5","","Li, Shengtao; Li, Ranran; Zhang, Yi-Kang; Wang, Shutao; Ma, Bin; Zhang, Bin; An, Peng","BINOL-like atropisomeric chiral nanographene.","Chemical science","2023","14","12","3286","3292","10.1039/d2sc06244e","","","0.71073","MoKα","","0.1946","0.1053","","","0.3087","0.3512","","","","","","1.045","","","","has coordinates","282303","2023-04-04","10:04:12","" "1568486","22.0386","0.0015","13.2446","0.0003","11.5475","0.0008","90","","137.586","0.013","90","","2273.4","0.6","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H31 N O6 -","- C24 H31 N O6 -","- C96 H124 N4 O24 -","4","1","","Li, Longbo; Matsuo, Bianca; Levitre, Guillaume; McClain, Edward J.; Voight, Eric A.; Crane, Erika A.; Molander, Gary A.","Dearomative intermolecular [2 + 2] photocycloaddition for construction of C(sp3)-rich heterospirocycles on-DNA.","Chemical science","2023","14","10","2713","2720","10.1039/d3sc00144j","","x-ray","1.54184","CuKα","","0.0415","0.0392","","","0.1042","0.1069","","","","","","1.079","","","","has coordinates","282282","2023-04-04","09:54:25","" "1568487","11.6897","0.0006","8.7462","0.0004","27.9426","0.0014","90","","97.984","0.003","90","","2829.2","0.2","297","2","297","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H25 Cl N4 O3 S -","- C31 H25 Cl N4 O3 S -","- C124 H100 Cl4 N16 O12 S4 -","4","2","","Li, Kuan; Zhen, Shuo; Wang, Wang; Du, Juan; Yu, Songcheng; Wu, Yongjun; Guo, Hongchao","Fungicide-inspired precursors of π-allylpalladium intermediates for palladium-catalyzed decarboxylative cycloadditions.","Chemical science","2023","14","11","3024","3029","10.1039/d3sc00112a","","","1.54178","CuKα","","0.0606","0.0455","","","0.1071","0.1176","","","","","","1.096","","","","has coordinates","282289","2023-04-04","09:57:27","" "1568488","8.30066","0.00014","8.18447","0.00013","16.4485","0.0003","90","","104.387","0.0018","90","","1082.41","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H21 N3 O2 -","- C27 H21 N3 O2 -","- C54 H42 N6 O4 -","2","1","","Li, Kuan; Zhen, Shuo; Wang, Wang; Du, Juan; Yu, Songcheng; Wu, Yongjun; Guo, Hongchao","Fungicide-inspired precursors of π-allylpalladium intermediates for palladium-catalyzed decarboxylative cycloadditions.","Chemical science","2023","14","11","3024","3029","10.1039/d3sc00112a","","x-ray","1.54184","CuKα","","0.0338","0.0327","","","0.0857","0.0865","","","","","","1.09","","","","has coordinates","282289","2023-04-04","09:57:32","" "1568489","9.7606","0.0001","10.331","0.0001","21.9651","0.0003","90","","90","","90","","2214.89","0.04","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N3 O2 -","- C27 H25 N3 O2 -","- C108 H100 N12 O8 -","4","1","","Li, Kuan; Zhen, Shuo; Wang, Wang; Du, Juan; Yu, Songcheng; Wu, Yongjun; Guo, Hongchao","Fungicide-inspired precursors of π-allylpalladium intermediates for palladium-catalyzed decarboxylative cycloadditions.","Chemical science","2023","14","11","3024","3029","10.1039/d3sc00112a","","x-ray","1.54184","CuKα","","0.0344","0.0309","","","0.0739","0.0755","","","","","","1.04","","","","has coordinates","282289","2023-04-04","09:57:37","" "1568490","12.7468","0.0003","13.2446","0.0003","5.6541","0.0001","90","","95.839","0.0016","90","","949.61","0.04","2","","2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium manganese trithiocyanate","","- C6 Cs2 Mn2 N6 S6 -","- C6 Cs2 Mn2 N6 S6 -","- C12 Cs4 Mn4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)3.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","neutron","1.4551","neutron","","0.0348","0.0331","","","0.0796","0.0805","","","","2.5","2.5","2.49","","","","has coordinates","283170","2023-05-05","01:06:21","" "1568491","12.8159","0.0003","13.3648","0.0003","5.6774","0.0001","90","","95.999","0.002","90","","967.11","0.04","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium manganese trithiocyanate","","- C6 Cs2 Mn2 N6 S6 -","- C6 Cs2 Mn2 N6 S6 -","- C12 Cs4 Mn4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)3.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","","1.54184","CuKα","","0.0633","0.0628","","","0.1584","0.1601","","","","","","1.052","","","","has coordinates","283170","2023-05-05","01:06:21","" "1568492","12.5261","0.0005","13.0853","0.001","5.5409","0.0017","90","","96.56","0.006","90","","902.3","0.3","15","","15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium nickel trithiocyanate","","- C6 Cs2 N6 Ni2 S6 -","- C6 Cs2 N6 Ni2 S6 -","- C12 Cs4 N12 Ni4 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)3.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","neutron","1.45678","neutron","","0.1483","0.1139","","","0.1172","0.1193","","","","4.55","4.55","3.72","","","","has coordinates","283170","2023-05-05","01:06:21","" "1568493","12.7661","0.0003","13.2731","0.0004","5.6588","0.0002","90","","95.9037","0.0017","90","","953.77","0.05","50","","50","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium manganese trithiocyanate","","- C6 Cs2 Mn2 N6 S6 -","- C6 Cs2 Mn2 N6 S6 -","- C12 Cs4 Mn4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)3.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","neutron","1.4551","neutron","","0.0355","0.0347","","","0.0838","0.0848","","","","1.96","1.96","1.96","","","","has coordinates","283170","2023-05-05","01:06:21","" "1568494","12.8136","0.0005","13.4916","0.0007","5.6692","0.0002","90","","96.346","0.002","90","","974.06","0.07","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium manganese trithiocyanate","","- C6 Cs2 Mn2 N6 S6 -","- C6 Cs2 Mn2 N6 S6 -","- C12 Cs4 Mn4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)3.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","neutron","1.4551","neutron","","0.0427","0.0386","","","0.0726","0.0761","","","","1.71","1.71","1.7","","","","has coordinates","283170","2023-05-05","01:06:21","" "1568495","12.6103","0.0001","13.2395","0.0002","5.5786","0.0001","90","","96.445","0.001","90","","925.48","0.02","119.99","0.19","119.99","0.19","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium cobalt trithiocyanate","","- C6 Co2 Cs2 N6 S6 -","- C6 Co2 Cs2 N6 S6 -","- C12 Co4 Cs4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)3.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","","1.54184","CuKα","","0.0192","0.0187","","","0.0476","0.0479","","","","","","1.043","","","","has coordinates","283170","2023-05-05","01:06:21","" "1568496","12.7463","0.0003","13.2447","0.0003","5.654","0.0001","90","","95.8382","0.0016","90","","949.56","0.04","13","","13","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium manganese trithiocyanate","","- C6 Cs2 Mn2 N6 S6 -","- C6 Cs2 Mn2 N6 S6 -","- C12 Cs4 Mn4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)3.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","neutron","1.4551","neutron","","0.0351","0.035","","","0.0967","0.0968","","","","3.61","3.61","3.6","","","","has coordinates","283170","2023-05-05","01:06:21","" "1568497","12.7469","0.0003","13.2457","0.0003","5.6542","0.0001","90","","95.8446","0.0016","90","","949.7","0.04","20","","20","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium manganese trithiocyanate","","- C6 Cs2 Mn2 N6 S6 -","- C6 Cs2 Mn2 N6 S6 -","- C12 Cs4 Mn4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)3.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","neutron","1.4551","neutron","","0.0367","0.0365","","","0.1081","0.1084","","","","2.97","2.97","2.97","","","","has coordinates","283170","2023-05-05","01:06:21","" "1568498","27.4526","0.0015","6.8462","0.0004","18.7535","0.0012","90","","90","","90","","3524.6","0.4","184","2","184","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C33 H33 N3 O -","- C33 H34 N3 O -","- C132 H136 N12 O4 -","4","0.5","","Miao, Fang; Ji, Yu; Han, Bo; Quintero, Sergio Moles; Chen, Hanjiao; Xue, Guodong; Cai, Lulu; Casado, Juan; Zheng, Yonghao","Asymmetric and zwitterionic Blatter diradicals.","Chemical science","2023","14","10","2698","2705","10.1039/d3sc00367a","","","1.54178","CuKα","","0.0795","0.0558","","","0.1653","0.1828","","","","","","1.069","","","","has coordinates","282278","2023-04-04","09:53:01","" "1568499","15.527","0.003","10.1852","0.0018","18.02","0.003","90","","108.352","0.007","90","","2704.8","0.8","184","2","184","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 N3 O -","- C33 H33 N3 O -","- C132 H132 N12 O4 -","4","1","","Miao, Fang; Ji, Yu; Han, Bo; Quintero, Sergio Moles; Chen, Hanjiao; Xue, Guodong; Cai, Lulu; Casado, Juan; Zheng, Yonghao","Asymmetric and zwitterionic Blatter diradicals.","Chemical science","2023","14","10","2698","2705","10.1039/d3sc00367a","","","1.54178","CuKα","","0.0693","0.0487","","","0.1076","0.1212","","","","","","1.045","","","","has coordinates","282278","2023-04-04","09:53:01","" "1568500","8.0803","0.0008","17.2484","0.0018","16.5592","0.0014","90","","90.883","0.004","90","","2307.6","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N O4 S2 -","- C25 H22 N O4 S2 -","- C100 H88 N4 O16 S8 -","4","1","","Zhang, Yan; Cai, Zhenzhi; Zhao, Chunhang; Zheng, Hanliang; Ackermann, Lutz","Electrosynthesis of bridged or fused sulfonamides through complex radical cascade reactions: divergence in medium-sized ring formation.","Chemical science","2023","14","13","3541","3547","10.1039/d2sc07045f","","","0.71073","MoKα","","0.114","0.072","","","0.1858","0.2432","","","","","","1.159","","","","has coordinates","282288","2023-04-04","09:56:43","" "1568501","23.4887","0.0017","5.6869","0.0004","14.3647","0.001","90","","107.81","","90","","1826.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O4 S2 -","- C19 H19 N O4 S2 -","- C76 H76 N4 O16 S8 -","4","1","","Zhang, Yan; Cai, Zhenzhi; Zhao, Chunhang; Zheng, Hanliang; Ackermann, Lutz","Electrosynthesis of bridged or fused sulfonamides through complex radical cascade reactions: divergence in medium-sized ring formation.","Chemical science","2023","14","13","3541","3547","10.1039/d2sc07045f","","","0.71073","MoKα","","0.1097","0.0601","","","0.1327","0.1595","","","","","","1.008","","","","has coordinates","282288","2023-04-04","09:56:44","" "1568502","14.5275","0.0002","8.9371","0.0001","31.1191","0.0005","90","","102.802","0.002","90","","3939.87","0.1","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C49 H43 N7 -","- C49 H43 N7 -","- C196 H172 N28 -","4","1","","Tripathi, Shivani; Halder, Sayan; Prusti, Banchhanidhi; Chakraborty, Chanchal; Chakravarty, Manab","Flexibility-driven 1D-structural preference in a bis-terpyridine-Fe(ii)-metallo-supramolecular polymer possessing potential tricolor electrochromism","Polymer Chemistry","2023","14","12","1359","1368","10.1039/D2PY01557A","","x-ray","1.54184","CuKα","","0.0558","0.0488","","","0.1338","0.1386","","","","","","1.1","","","","has coordinates","282346","2023-04-04","10:22:06","" "1568503","13.2016","0.0016","27.457","0.004","18.236","0.002","90","","105.503","0.013","90","","6369.6","1.5","120","2","393.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39.25 H45.25 N14.75 O22.75 V6 Zn -","- C39.25 H45.25 N14.75 O22.75 V6 Zn -","- C157 H181 N59 O91 V24 Zn4 -","4","1","","Palacios-Corella, Mario; García-López, Víctor; Waerenborgh, Joao Carlos; Vieira, Bruno J. C.; Mínguez Espallargas, Guillermo; Clemente-León, Miguel; Coronado, Eugenio","Redox and guest tunable spin-crossover properties in a polymeric polyoxometalate.","Chemical science","2023","14","11","3048","3055","10.1039/d2sc05800f","","","0.71073","MoKα","","0.2169","0.1233","","","0.2764","0.3306","","","","","","0.992","","","","has coordinates","283189","2023-05-05","01:13:12","" "1568504","9.8603","0.0003","12.1228","0.0004","17.2505","0.0004","79.422","0.002","80.163","0.002","76.369","0.003","1952.25","0.1","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H64 Co2 N16 O21 V6 -","- C60 H64 Co2 N16 O21 V6 -","- C60 H64 Co2 N16 O21 V6 -","1","0.5","","Palacios-Corella, Mario; García-López, Víctor; Waerenborgh, Joao Carlos; Vieira, Bruno J. C.; Mínguez Espallargas, Guillermo; Clemente-León, Miguel; Coronado, Eugenio","Redox and guest tunable spin-crossover properties in a polymeric polyoxometalate.","Chemical science","2023","14","11","3048","3055","10.1039/d2sc05800f","","x-ray","0.71073","MoKα","","0.1093","0.0729","","","0.2192","0.2514","","","","","","1.059","","","","has coordinates","283189","2023-05-05","01:13:12","" "1568505","13.0369","0.0018","27.261","0.003","18.467","0.003","90","","105.569","0.015","90","","6322.3","1.6","119","1","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H47 Co N12 O25 V6 Zn -","- C42 H39 Co N12 O23 V6 Zn -","- C168 H156 Co4 N48 O92 V24 Zn4 -","4","1","","Palacios-Corella, Mario; García-López, Víctor; Waerenborgh, Joao Carlos; Vieira, Bruno J. C.; Mínguez Espallargas, Guillermo; Clemente-León, Miguel; Coronado, Eugenio","Redox and guest tunable spin-crossover properties in a polymeric polyoxometalate.","Chemical science","2023","14","11","3048","3055","10.1039/d2sc05800f","","","0.71073","MoKα","","0.195","0.1281","","","0.3164","0.3634","","","","","","1.098","","","","has coordinates","283189","2023-05-05","01:13:12","" "1568506","17.1948","0.0003","15.4967","0.0002","18.288","0.0004","90","","116.713","0.003","90","","4352.96","0.18","120","2","120.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H120 N16 O23 V6 -","- C72 H120 N16 O23 V6 -","- C144 H240 N32 O46 V12 -","2","0.5","","Palacios-Corella, Mario; García-López, Víctor; Waerenborgh, Joao Carlos; Vieira, Bruno J. C.; Mínguez Espallargas, Guillermo; Clemente-León, Miguel; Coronado, Eugenio","Redox and guest tunable spin-crossover properties in a polymeric polyoxometalate.","Chemical science","2023","14","11","3048","3055","10.1039/d2sc05800f","","","0.71073","MoKα","","0.0722","0.0492","","","0.1241","0.1391","","","","","","1.049","","","","has coordinates","283189","2023-05-05","01:13:12","" "1568507","10.7675","0.0003","17.3155","0.0004","17.5438","0.0005","90","","90","","90","","3270.95","0.15","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H53 O2 U -","- C36 H53 O2 U -","- C144 H212 O8 U4 -","4","1","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","1.54178","CuKα","","0.0146","0.014","","","0.033","0.0332","","","","","","1.036","","","","has coordinates","281098","2023-02-23","07:53:33","" "1568508","9.4109","0.0016","10.8091","0.0017","14.131","0.002","94.671","0.005","103.949","0.005","92.409","0.006","1387.6","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C59.95 H82 I0.03 O3.95 U2 -","- C59.894 H82 I0.0528 O3.894 U2 -","- C59.894 H82 I0.0528 O3.894 U2 -","1","0.5","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","0.71073","MoKα","","0.0277","0.0225","","","0.043","0.0444","","","","","","1.097","","","","has coordinates,has disorder","281098","2023-02-23","07:53:43","" "1568509","17.9293","0.0018","10.2778","0.001","19.647","0.002","90","","101.133","0.0017","90","","3552.3","0.6","220","","220","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C86 H96 O6 U2 -","- C86 H96 O6 U2 -","- C172 H192 O12 U4 -","2","0.5","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","0.71073","MoKα","","0.0579","0.0315","","","0.0536","0.0587","","","","","","0.968","","","","has coordinates","281098","2023-02-23","07:53:55","" "1568510","13.266","0.004","16.193","0.005","15.544","0.005","90","","97.637","0.004","90","","3309.5","1.8","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 O2 U -","- C38 H52 O2 U -","- C152 H208 O8 U4 -","4","1","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","0.71073","MoKα","","0.0547","0.0333","","","0.0638","0.073","","","","","","1.067","","","","has coordinates","281098","2023-02-23","07:53:56","" "1568511","10.5339","0.0009","26.165","0.002","21.8935","0.0018","90","","90.283","0.002","90","","6034.2","0.9","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H94 O5 U2 -","- C66 H94 O5 U2 -","- C264 H376 O20 U8 -","4","1","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","0.71073","MoKα","","0.0792","0.046","","","0.0865","0.0967","","","","","","1.052","","","","has coordinates,has disorder","281098","2023-02-23","07:53:57","" "1568512","56.6846","0.0017","56.6846","0.0017","10.2786","0.0003","90","","90","","120","","28601.9","1.5","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C70.5 H94 O6 S U2 -","- C60 H82 O6 S U2 -","- C1080 H1476 O108 S18 U36 -","18","1","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","1.54178","CuKα","","0.0592","0.0419","","","0.0972","0.1058","","","","","","1.019","","","","has coordinates,has disorder","281098","2023-02-23","07:53:57","" "1568513","43.0997","0.0015","14.4756","0.0006","20.4007","0.0007","90","","100.911","0.003","90","","12497.8","0.8","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C69.5 H90 O7 U2 -","- C62 H82 O7 U2 -","- C496 H656 O56 U16 -","8","1","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","1.54178","CuKα","","0.1423","0.1225","","","0.2819","0.2921","","","","","","1.18","","","","has coordinates,has disorder","281098","2023-02-23","07:53:59","" "1568514","13.5817","0.0008","14.3505","0.0006","13.9019","0.0008","90","","116.465","0.004","90","","2425.6","0.2","110","","110","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H78 N2 O3 Sm -","- C55 H78 N2 O3 Sm -","- C110 H156 N4 O6 Sm2 -","2","1","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","","0.71073","MoKα","","0.079","0.0438","","","0.0888","0.1317","","","","","","1.239","","","","has coordinates,has disorder","281099","2023-02-23","07:57:44","" "1568515","18.5124","0.0014","15.2519","0.0011","35.298","0.003","90","","90","","90","","9966.4","1.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C55 H78 N2 O3 Yb -","- C55 H78 N2 O3 Yb -","- C440 H624 N16 O24 Yb8 -","8","1","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.1134","0.0647","","","0.133","0.1534","","","","","","1.078","","","","has coordinates,has disorder","281099","2023-02-23","07:57:52","" "1568516","13.749","0.0009","14.0841","0.0006","26.9502","0.0017","90","","98.698","0.005","90","","5158.7","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H82 B N2 O3 Y -","- C55 H82 B N2 O3 Y -","- C220 H328 B4 N8 O12 Y4 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.0859","0.0526","","","0.1193","0.1378","","","","","","1.014","","","","has coordinates","281099","2023-02-23","07:57:56","" "1568517","13.8154","0.0004","14.2166","0.0003","26.9732","0.0007","90","","99.004","0.002","90","","5232.5","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H82 B N2 O3 Sm -","- C55 H82 B N2 O3 Sm -","- C220 H328 B4 N8 O12 Sm4 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.0312","0.0242","","","0.0591","0.0617","","","","","","1.038","","","","has coordinates","281099","2023-02-23","07:58:04","" "1568518","32.7745","0.0007","12.3366","0.0003","14.1237","0.0005","90","","90","","90","","5710.6","0.3","100","","100","","","","","","","","","6","P b a n :2","-P 2ab 2b","50","","","","- C117 H164 N4 O6 P4 Sm2 -","- C117 H164 N4 O6 P4 Sm2 -","- C234 H328 N8 O12 P8 Sm4 -","2","0.25","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","","0.71073","MoKα","","0.0962","0.0545","","","0.1387","0.1729","","","","","","1.094","","","","has coordinates,has disorder","281099","2023-02-23","07:58:07","" "1568519","32.1927","0.0009","12.2887","0.0004","14.1317","0.0006","90","","90","","90","","5590.6","0.3","100","","100","","","","","","","","","6","P b a n :2","-P 2ab 2b","50","","","","- C114 H164 N4 O7 P4 Yb2 -","- C114 H164 N4 O7 P4 Yb2 -","- C228 H328 N8 O14 P8 Yb4 -","2","0.25","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.07","0.0413","","","0.1106","0.1175","","","","","","0.918","","","","has coordinates,has disorder","281099","2023-02-23","07:58:09","" "1568520","31.686","0.0019","23.6758","0.0008","16.4497","0.0009","90","","119.805","0.004","90","","10708.1","1","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C116 H156 K N4 O4 P3 Sm2 -","- C116 H156 K N4 O4 P3 Sm2 -","- C464 H624 K4 N16 O16 P12 Sm8 -","4","0.5","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.124","0.0593","","","0.1232","0.1596","","","","","","1.032","","","","has coordinates,has disorder","281099","2023-02-23","07:58:10","" "1568521","31.3677","0.0014","23.7878","0.0015","16.3094","0.0007","90","","119.275","0.003","90","","10615.3","1","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C116 H156 Dy2 K N4 O4 P3 -","- C116 H156 Dy2 K N4 O4 P3 -","- C464 H624 Dy8 K4 N16 O16 P12 -","4","0.5","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","","0.71073","MoKα","","0.0719","0.0414","","","0.0964","0.1125","","","","","","1.027","","","","has coordinates,has disorder","281099","2023-02-23","07:58:10","" "1568522","13.797","0.0003","14.1608","0.0005","27.0491","0.0006","90","","98.959","0.002","90","","5220.3","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H82 B Dy N2 O3 -","- C55 H82 B Dy N2 O3 -","- C220 H328 B4 Dy4 N8 O12 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.0418","0.0267","","","0.0622","0.0665","","","","","","1.017","","","","has coordinates","281099","2023-02-23","07:58:11","" "1568523","31.5819","0.0006","24.1585","0.0004","16.5122","0.0003","90","","119.726","0.001","90","","10940.5","0.4","180","","180","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C116 H156 K N4 O4 P3 Y2 -","- C116 H156 K N4 O4 P3 Y2 -","- C464 H624 K4 N16 O16 P12 Y8 -","4","0.5","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","1.34143","GaKα","","0.0867","0.0646","","","0.1946","0.2127","","","","","","1.056","","","","has coordinates,has disorder","281099","2023-02-23","07:58:11","" "1568524","11.4539","0.0015","15.5189","0.0019","11.6854","0.001","90","","90","","90","","2077.1","0.4","190","2","190","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H24 Ag Cl N2 O4 -","- C22 H24 Ag Cl N2 O4 -","- C88 H96 Ag4 Cl4 N8 O16 -","4","0.5","","Fahrenhorst-Jones, Tyler; Marshall, David L.; Burns, Jed M.; Pierens, Gregory K.; Hormann, Robert E.; Fisher, Allison M.; Bernhardt, Paul V.; Blanksby, Stephen J.; Savage, G. Paul; Eaton, Philip E.; Williams, Craig M.","1-Azahomocubane.","Chemical science","2023","14","11","2821","2825","10.1039/d3sc00001j","","x-ray","1.54184","CuKα","","0.0591","0.0538","","","0.1552","0.1649","","","","","","1.062","","","","has coordinates,has disorder","282295","2023-04-04","10:01:31","" "1568525","12.0681","0.0005","4.8252","0.0002","15.0066","0.0007","90","","94.654","0.004","90","","870.97","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Bromoisoquinoline","","- C9 H8 Br N O -","- C9 H8 Br N O -","- C36 H32 Br4 N4 O4 -","4","1","","Finkelstein, Patrick; Reisenbauer, Julia C.; Botlik, Bence B.; Green, Ori; Florin, Andri; Morandi, Bill","Nitrogen atom insertion into indenes to access isoquinolines.","Chemical science","2023","14","11","2954","2959","10.1039/d2sc06952k","","x-ray","0.71073","MoKα","","0.0618","0.0391","","","0.0875","0.0948","","","","","","1.037","","","","has coordinates","282293","2023-04-04","10:00:51","" "1568526","9.8089","0.0003","8.7371","0.0002","18.3869","0.0005","90","","104.498","0.003","90","","1525.6","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4-(isoquinolin-1-yl)phenyl)(phenyl)methanone","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Finkelstein, Patrick; Reisenbauer, Julia C.; Botlik, Bence B.; Green, Ori; Florin, Andri; Morandi, Bill","Nitrogen atom insertion into indenes to access isoquinolines.","Chemical science","2023","14","11","2954","2959","10.1039/d2sc06952k","","x-ray","1.54184","CuKα","","0.0803","0.0752","","","0.2394","0.2429","","","","","","1.143","","","","has coordinates","282293","2023-04-04","10:00:55","" "1568527","16.1966","0.0005","16.5801","0.0005","16.2444","0.0005","90","","100.654","0.003","90","","4287.1","0.2","293","2","293","2","","","","","","","synthesized","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H28 F3 Fe N5 O5 S -","- C13 H28 F3 Fe N5 O5 S -","- C104 H224 F24 Fe8 N40 O40 S8 -","8","2","","Kulbir, ?; Das, Sandip; Devi, Tarali; Ghosh, Somnath; Chandra Sahoo, Subash; Kumar, Pankaj","Acid-induced nitrite reduction of nonheme iron(ii)-nitrite: mimicking biological Fe-NiR reactions.","Chemical science","2023","14","11","2935","2942","10.1039/d2sc06704h","","x-ray","0.71073","MoKα","","0.1046","0.0689","","","0.2031","0.2304","","","","","","1.11","","","","has coordinates,has disorder","282296","2023-04-04","10:01:40","" "1568528","11.791","0.002","14.711","0.003","15.692","0.003","90","","104.111","0.005","90","","2639.8","0.9","293","2","293","2","","","","","","","synthesized","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H31 F6 Fe N6 O7 S2 -","- C16 H31 F6 Fe N6 O7 S2 -","- C64 H124 F24 Fe4 N24 O28 S8 -","4","1","","Kulbir, ?; Das, Sandip; Devi, Tarali; Ghosh, Somnath; Chandra Sahoo, Subash; Kumar, Pankaj","Acid-induced nitrite reduction of nonheme iron(ii)-nitrite: mimicking biological Fe-NiR reactions.","Chemical science","2023","14","11","2935","2942","10.1039/d2sc06704h","","x-ray","0.71073","MoKα","","0.115","0.0756","","","0.18","0.2012","","","","","","1.196","","","","has coordinates","282296","2023-04-04","10:01:40","" "1568529","7.7248","0.0008","23.0566","0.0019","12.1391","0.0013","90","","103.515","0.009","90","","2102.2","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N O5 -","- C23 H21 N O5 -","- C92 H84 N4 O20 -","4","1","","Bakthadoss, Manickam; Reddy, Tadiparthi Thirupathi","Distal meta-C-H functionalization of α-substituted cinnamates.","Chemical science","2023","14","22","5880","5886","10.1039/d2sc06206b","","","0.71073","MoKα","","0.0875","0.0492","","","0.1139","0.1345","","","","","","1.027","","","","has coordinates","284895","2023-07-05","09:42:53","" "1568530","8.2408","0.0005","10.2565","0.0005","15.3407","0.0007","88.527","0.004","77.996","0.004","72.445","0.005","1208.25","0.12","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 N O5 S -","- C27 H23 N O5 S -","- C54 H46 N2 O10 S2 -","2","1","","Bakthadoss, Manickam; Reddy, Tadiparthi Thirupathi","Distal meta-C-H functionalization of α-substituted cinnamates.","Chemical science","2023","14","22","5880","5886","10.1039/d2sc06206b","","","0.71073","MoKα","","0.0765","0.0492","","","0.1219","0.1351","","","","","","1.073","","","","has coordinates","284895","2023-07-05","09:42:53","" "1568531","10.811","0.003","8.0573","0.0019","24.254","0.005","90","","92.718","0.007","90","","2110.3","0.9","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Organic","","","- C24 H20 N2 O5 -","- C24 H20 N2 O5 -","- C96 H80 N8 O20 -","4","1","","Bakthadoss, Manickam; Reddy, Tadiparthi Thirupathi","Distal meta-C-H functionalization of α-substituted cinnamates.","Chemical science","2023","14","22","5880","5886","10.1039/d2sc06206b","","","0.71073","MoKα","","0.0962","0.0563","","","0.1282","0.1554","","","","","","1.028","","","","has coordinates","284895","2023-07-05","09:42:53","" "1568532","9.2167","0.0004","13.7793","0.0006","23.2892","0.0007","78.74","0.003","88.981","0.003","86.659","0.003","2895.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H58.03 Cl4.03 Cu6 N12 S6 -","- C44 H58.024 Cl4.024 Cu6 N12 S6 -","- C88 H116.048 Cl8.048 Cu12 N24 S12 -","2","1","","Wu, Haiming; Anumula, Rajini; Andrew, Gaya N.; Luo, Zhixun","A stable superatomic Cu6(SMPP)6 nanocluster with dual emission.","Nanoscale","2023","15","8","4137","4142","10.1039/d2nr07223h","","x-ray","0.71073","MoKα","","0.1457","0.1189","","","0.3059","0.3213","","","","","","1.15","","","","has coordinates,has disorder","281123","2023-02-24","10:03:48","" "1568533","11.6736","0.0002","18.459","0.0003","20.0226","0.0003","90","","93.092","0.001","90","","4308.25","0.12","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H64 La N3 O Si6 -","- C31 H64 La N3 O Si6 -","- C124 H256 La4 N12 O4 Si24 -","4","1","","Rothbaum, Jacob O.; Motta, Alessandro; Kratish, Yosi; Marks, Tobin J.","Mechanistic study of homoleptic trisamidolanthanide-catalyzed aldehyde and ketone hydroboration. Chemically non-innocent ligand participation.","Chemical science","2023","14","12","3247","3256","10.1039/d2sc06442a","","x-ray","0.71073","MoKα","","0.0451","0.0315","","","0.0583","0.0619","","","","","","1.022","","","","has coordinates","282300","2023-04-04","10:03:06","" "1568534","21.1647","0.0003","15.1053","0.0002","21.1116","0.0003","90","","90.8294","0.0013","90","","6748.65","0.16","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 La N3 O Si5 -","- C22 H50 La N3 O Si5 -","- C176 H400 La8 N24 O8 Si40 -","8","2","","Rothbaum, Jacob O.; Motta, Alessandro; Kratish, Yosi; Marks, Tobin J.","Mechanistic study of homoleptic trisamidolanthanide-catalyzed aldehyde and ketone hydroboration. Chemically non-innocent ligand participation.","Chemical science","2023","14","12","3247","3256","10.1039/d2sc06442a","","x-ray","0.71073","MoKα","","0.0562","0.0372","","","0.0842","0.0934","","","","","","1.048","","","","has coordinates,has disorder","282300","2023-04-04","10:03:06","" "1568535","27.6404","0.0007","15.2264","0.0003","24.752","0.0007","90","","123.939","0.004","90","","8642.5","0.5","100","0.1","100","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C55 H140 B6 La2 N4 O8 Si8 -","- C55 H140 B6 La2 N4 O8 Si8 -","- C220 H560 B24 La8 N16 O32 Si32 -","4","1","","Rothbaum, Jacob O.; Motta, Alessandro; Kratish, Yosi; Marks, Tobin J.","Mechanistic study of homoleptic trisamidolanthanide-catalyzed aldehyde and ketone hydroboration. Chemically non-innocent ligand participation.","Chemical science","2023","14","12","3247","3256","10.1039/d2sc06442a","","x-ray","0.71073","MoKα","","0.0673","0.0536","","","0.1334","0.1415","","","","","","1.039","","","","has coordinates","282300","2023-04-04","10:03:06","" "1568536","8.2616","0.0003","9.3161","0.0004","10.9658","0.0004","99.275","0.001","93.184","0.001","96.722","0.001","824.85","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 N5 O5 Pb -","- C18 H10 N5 O5 Pb -","- C36 H20 N10 O10 Pb2 -","2","1","","Kamal, Samrah; Khalid, Mohd; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer","A bifunctionalised Pb-based MOF for iodine capture and dye removal","Dalton Transactions","2023","52","14","4501","4516","10.1039/D3DT00237C","","","0.71073","MoKα","","0.0262","0.0244","","","0.0641","0.0655","","","","","","1.0461","","","","has coordinates","282777","2023-04-20","11:56:53","" "1568537","13.678","0.003","7.1156","0.0014","9.883","0.002","90","","91.07","0.03","90","","961.7","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H10 N2 O10 Zn -","- C4 H10 N2 O10 Zn -","- C16 H40 N8 O40 Zn4 -","4","1","","Xu, Xin; Yan, Bing","Bioinspired HOF-based luminescent skin sensor with triple mechanochromism responses for the recognition and collection of human biophysical signals.","Materials horizons","2023","10","6","2062","2074","10.1039/d3mh00096f","","","0.71073","MoKα","","0.055","0.0468","","","0.1206","0.1251","","","","","","1.023","","","","has coordinates","284984","2023-07-05","11:06:30","" "1568538","6.401","0.0019","7.613","0.002","22.401","0.006","90","","92.679","0.01","90","","1090.4","0.5","276","2","276","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Nan, Jiang; Ren, Xin; Yan, Qiang; Liu, Shilei; Wang, Jing; Ma, Yangmin; Szostak, Michal","Hypervalent iodine-promoted twofold oxidative coupling of amines with amides and thioamides: chemoselective pathway to oxazoles and thiazoles.","Chemical science","2023","14","12","3338","3345","10.1039/d3sc00301a","","","0.71073","MoKα","","0.1165","0.074","","","0.168","0.1873","","","","","","1.062","","","","has coordinates","282310","2023-04-04","10:06:17","" "1568539","7.5785","0.0006","19.2356","0.0016","13.4588","0.0011","90","","92.817","0.002","90","","1959.6","0.3","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 S2 -","- C24 H18 N2 S2 -","- C96 H72 N8 S8 -","4","1","","Nan, Jiang; Ren, Xin; Yan, Qiang; Liu, Shilei; Wang, Jing; Ma, Yangmin; Szostak, Michal","Hypervalent iodine-promoted twofold oxidative coupling of amines with amides and thioamides: chemoselective pathway to oxazoles and thiazoles.","Chemical science","2023","14","12","3338","3345","10.1039/d3sc00301a","","","0.71073","MoKα","","0.1076","0.0731","","","0.15","0.1686","","","","","","1.178","","","","has coordinates","282310","2023-04-04","10:06:17","" "1568540","18.2041","0.0015","12.7693","0.0013","19.5076","0.0018","90","","90","","90","","4534.6","0.7","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","ARW-II-297","ARW-II-297","","- C23 H30 O7 Si -","- C23 H30 O7 Si -","- C184 H240 O56 Si8 -","8","1","","Kerkovius, Jeff; Wong, Alice; Mak, Victor; Reisman, Sarah E.","A convergent fragment coupling strategy to access quaternary stereogenic centers","Chemical Science","2023","","","","","10.1039/D2SC07023E","","","0.71073","MoKα","","0.0621","0.0443","","","0.0997","0.1053","","","","","","1.09","","","","has coordinates","281164","2023-02-28","07:50:05","" "1568541","16.454","0.0005","16.454","0.0005","9.7316","0.0006","90","","90","","120","","2281.7","0.17","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C9 H0 La0.67 N O4 S -","- C9 La0.666667 N O4 S -","- C54 La4 N6 O24 S6 -","6","1","","Zhao, Xu; Sun, Lu; Zhai, Zhouxiao; Tian, Di; Wang, Ying; Zou, Xiaoqin; Min, Chungang; Zhuang, Changfu","An ultrastable La-MOF for catalytic hydrogen transfer of furfural: in situ activation of the surface.","Nanoscale","2023","15","14","6645","6654","10.1039/d2nr07151g","","","0.71073","MoKα","","0.0744","0.0744","","","0.2083","0.2083","","","","","","1.175","","","","has coordinates","283370","2023-05-05","02:50:25","" "1568542","13.263","0.0013","24.954","0.002","5.6399","0.0005","90","","90","","90","","1866.6","0.3","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H9 Br N2 O2 -","- C8 H9 Br N2 O2 -","- C64 H72 Br8 N16 O16 -","8","1","","Ji, Peng; Meng, Xiang; Chen, Jing; Gao, Feng; Xu, Hang; Wang, Wei","Combining photoredox catalysis and hydrogen atom transfer for dearomative functionalization of electron rich heteroarenes.","Chemical science","2023","14","12","3332","3337","10.1039/d3sc00060e","","","0.71073","MoKα","","0.0213","0.0185","","","0.0462","0.0473","","","","","","1.042","","","","has coordinates","282301","2023-04-04","10:03:18","" "1568543","9.1898","0.0001","7.9984","0.0001","14.9186","0.0002","90","","94.829","0.001","90","","1092.68","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H21 N O4 S -","- C25 H21 N O4 S -","- C50 H42 N2 O8 S2 -","2","1","","Zhou, Ji-Jia; Meng, Ya-Nan; Liu, Li-Gao; Liu, Yi-Xi; Xu, Zhou; Lu, Xin; Zhou, Bo; Ye, Long-Wu","Copper-catalyzed enantioselective diyne cyclization via C(sp2)-O bond cleavage.","Chemical science","2023","14","13","3493","3500","10.1039/d2sc06152j","","x-ray","1.54184","CuKα","","0.044","0.0419","","","0.1237","0.1248","","","","","","1.167","","","","has coordinates","282287","2023-04-04","09:56:26","" "1568544","45.81","0.02","9.357","0.004","34.484","0.016","90","","129.632","0.005","90","","11384","9","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H56 N14 O12 S2 Zn -","- C50 H56 N14 O12 S2 Zn -","- C400 H448 N112 O96 S16 Zn8 -","8","1","","Feng, Zhihui; Zhang, Dongxue; Guo, Hui; Su, Wenqing; Tian, Yupeng; Tian, Xiaohe","Lighting up RNA-specific multi-photon and super-resolution imaging using a novel zinc complex.","Nanoscale","2023","15","11","5486","5493","10.1039/d2nr05392f","","","0.71073","MoKα","","0.1602","0.0648","","","0.1442","0.1742","","","","","","0.915","","","","has coordinates,has disorder","282343","2023-04-04","10:20:22","" "1568545","9.6319","0.0007","26.669","0.002","18.8824","0.0015","90","","94.412","0.003","90","","4836","0.6","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C54 H36 O8 -","- C54 H36 O8 -","- C216 H144 O32 -","4","1","","Wang, Ning; Feng, Hui-Wei; Hao, Xinhui; Cao, Yang; Xu, Xing-Dong; Feng, Shengyu","Dynamic covalent bond and metal coordination bond-cross-linked silicone elastomers with excellent mechanical and aggregation-induced emission properties","Polymer Chemistry","2023","14","12","1396","1403","10.1039/D3PY00140G","","","1.54178","CuKα","","0.1221","0.0974","","","0.2934","0.3085","","","","","","1.118","","","","has coordinates","282347","2023-04-04","10:22:27","" "1568546","9.3439","0.0011","17.753","0.002","18.6225","0.0018","83.662","0.005","76.429","0.005","87.119","0.005","2983.6","0.6","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H64 N4 O4 -","- C66 H64 N4 O4 -","- C132 H128 N8 O8 -","2","1","","Wang, Ning; Feng, Hui-Wei; Hao, Xinhui; Cao, Yang; Xu, Xing-Dong; Feng, Shengyu","Dynamic covalent bond and metal coordination bond-cross-linked silicone elastomers with excellent mechanical and aggregation-induced emission properties","Polymer Chemistry","2023","14","12","1396","1403","10.1039/D3PY00140G","","","1.54178","CuKα","","0.1568","0.1073","","","0.3326","0.3772","","","","","","1.337","","","","has coordinates,has disorder","282347","2023-04-04","10:22:39","" "1568547","9.2183","0.0001","34.7939","0.0004","10.2564","0.0001","90","","91.784","0.001","90","","3288.05","0.06","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Cl N O2 P S -","- C18 H13 Cl N O2 P S -","- C144 H104 Cl8 N8 O16 P8 S8 -","8","2","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0489","0.0408","","","0.1036","0.1092","","","","","","1.05","","","","has coordinates","281227","2023-03-02","07:55:27","" "1568548","15.6906","0.0003","14.9491","0.0003","18.9271","0.0004","90","","90","","90","","4439.55","0.15","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H19 Cl N O2 P S -","- C26 H19 Cl N O2 P S -","- C208 H152 Cl8 N8 O16 P8 S8 -","8","1","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0812","0.0476","","","0.1221","0.1413","","","","","","1.046","","","","has coordinates","281227","2023-03-02","07:55:31","" "1568549","17.9194","0.0003","12.2042","0.0001","18.6576","0.0002","90","","90","","90","","4080.27","0.09","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N O2 P S -","- C25 H20 N O2 P S -","- C200 H160 N8 O16 P8 S8 -","8","1","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0481","0.0383","","","0.0883","0.0932","","","","","","1.067","","","","has coordinates","281227","2023-03-02","07:55:34","" "1568550","50.1288","0.0008","10.1911","0.0002","18.7459","0.0004","90","","90","","90","","9576.7","0.3","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C41 H32 N O2 P S -","- C41 H32 N O2 P S -","- C492 H384 N12 O24 P12 S12 -","12","3","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0967","0.0845","","","0.2096","0.2178","","","","","","1.142","","","","has coordinates,has disorder","281227","2023-03-02","07:55:37","" "1568551","8.8731","0.0003","10.5634","0.0003","12.9478","0.0004","106.562","0.002","99.86","0.002","107.702","0.003","1063.05","0.07","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 N O2 P S -","- C25 H22 N O2 P S -","- C50 H44 N2 O4 P2 S2 -","2","1","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0466","0.0376","","","0.0935","0.0991","","","","","","1.033","","","","has coordinates","281227","2023-03-02","07:55:47","" "1568552","11.1666","0.0002","17.1521","0.0003","12.847","0.0002","90","","103.054","0.002","90","","2397.01","0.07","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 N O2 P S -","- C29 H24 N O2 P S -","- C116 H96 N4 O8 P4 S4 -","4","1","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0569","0.041","","","0.099","0.1065","","","","","","1.049","","","","has coordinates","281227","2023-03-02","07:55:49","" "1568553","15.6578","0.0004","11.5015","0.0002","15.1026","0.0004","90","","101.945","0.003","90","","2660.91","0.11","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 N O2 P S -","- C33 H26 N O2 P S -","- C132 H104 N4 O8 P4 S4 -","4","1","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0991","0.0564","","","0.1058","0.1205","","","","","","1.046","","","","has coordinates,has disorder","281227","2023-03-02","07:55:49","" "1568554","8.0545","0.0002","27.2503","0.0006","18.9144","0.0005","90","","91.813","0.002","90","","4149.4","0.18","130","2","130","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C23 H18.5 Cl N1.5 O2 P S -","- C23 H18.5 Cl N1.5 O2 P S -","- C184 H148 Cl8 N12 O16 P8 S8 -","8","2","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0737","0.0467","","","0.0979","0.1029","","","","","","0.911","","","","has coordinates","281227","2023-03-02","07:55:49","" "1568555","16.434","0.0002","15.6804","0.0002","22.1748","0.0003","90","","92.558","0.001","90","","5708.57","0.13","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 Cl N O2 P S -","- C34 H25 Cl N O2 P S -","- C272 H200 Cl8 N8 O16 P8 S8 -","8","2","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0715","0.0437","","","0.0998","0.1139","","","","","","1.026","","","","has coordinates,has disorder","281227","2023-03-02","07:55:49","" "1568556","7.73185","0.00008","5.91229","0.00007","19.8978","0.0002","90","","92.4788","0.001","90","","908.736","0.017","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C40 H48 O8 -","2","1","","Xu, Qi; Lu, Chuan-Jun; Guo, Chang-Qiu; Feng, Jia; Liu, Ren-Rong","Palladium-catalyzed enantioselective rearrangement of dienyl cyclopropanes.","Chemical science","2023","14","12","3346","3351","10.1039/d2sc06548g","","x-ray","1.54184","CuKα","","0.026","0.0258","","","0.0681","0.0682","","","","","","1.077","","","","has coordinates","282309","2023-04-04","10:06:06","" "1568557","29.3549","0.0002","14.3817","0.0001","21.2892","0.0002","90","","106.304","0.001","90","","8626.3","0.12","93","","93","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H46 B1.5 Cu1.5 F6 N8 O2 -","- C43 H46 B1.5 Cu1.5 F6 N8 O2 -","- C344 H368 B12 Cu12 F48 N64 O16 -","8","1","","Kim, Heechan; Shin, Juhwan; Kim, Seyong; Lee, Dongwhan","Helical fluxionality: numerical frustration drives concerted low-barrier screw motions of a tricopper cluster.","Chemical science","2023","14","12","3265","3269","10.1039/d3sc00851g","","x-ray","1.54184","CuKα","","0.0581","0.0565","","","0.1584","0.1597","","","","","","1.055","","","","has coordinates,has disorder","282306","2023-04-04","10:04:54","" "1568558","30.034","0.003","27.879","0.003","18.1905","0.0018","90","","97.624","0.002","90","","15097","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C114 H158 Ag12 Au5 F12 O14 P13 S14 -","- C114 H158 Ag12 Au5 F12 O14 P13 S14 -","- C456 H632 Ag48 Au20 F48 O56 P52 S56 -","4","1","","Liao, Jian-Hong; Chiu, Tzu-Hao; Liang, Hao; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Galvanic replacement-induced introduction of a heteroligand into bimetallic and trimetallic nanoclusters.","Nanoscale","2023","15","13","6121","6125","10.1039/d3nr00509g","","","0.71073","MoKα","","0.2054","0.1084","","","0.249","0.3172","","","","","","1.104","","","","has coordinates","282341","2023-04-04","10:19:38","" "1568559","15.878","0.003","17.651","0.003","27.489","0.005","89.453","0.004","84.379","0.005","70.43","0.006","7222","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C114 H158 Ag10.75 Au4.25 O14 P11 Pt S14 -","- C114 H158 Ag10.75 Au4.25 O14 P11 Pt S14 -","- C228 H316 Ag21.5 Au8.5 O28 P22 Pt2 S28 -","2","1","","Liao, Jian-Hong; Chiu, Tzu-Hao; Liang, Hao; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Galvanic replacement-induced introduction of a heteroligand into bimetallic and trimetallic nanoclusters.","Nanoscale","2023","15","13","6121","6125","10.1039/d3nr00509g","","","0.71073","MoKα","","0.0529","0.0387","","","0.0863","0.0929","","","","","","1.024","","","","has coordinates,has disorder","282341","2023-04-04","10:19:44","" "1568560","14.031","0.006","14.473","0.006","19.564","0.007","90","","90","","90","","3973","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H24 I N3 O5 Ru -","- C16 H24 I N3 O5 Ru -","- C128 H192 I8 N24 O40 Ru8 -","8","1","","Colaiezzi, Roberta; Saviozzi, Chiara; di Nicola, Nicola; Zacchini, Stefano; Pampaloni, Guido; Crucianelli, Marcello; Marchetti, Fabio; Di Giuseppe, Andrea; Biancalana, Lorenzo","Ruthenium(ii) arene complexes bearing simple dioxime ligands: effective catalysts for the one-pot transfer hydrogenation/N-methylation of nitroarenes with methanol","Catalysis Science & Technology","2023","13","7","2160","2183","10.1039/D3CY00218G","","","0.71073","MoKα","","0.0366","0.0339","","","0.0588","0.0595","","","","","","1.323","","","","has coordinates","282243","2023-04-04","09:26:22","" "1568561","10.1596","0.0007","11.7047","0.0008","16.363","0.0011","90","","90","","90","","1945.8","0.2","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H28 Cl N3 O6 Ru -","- C16 H28 Cl N3 O6 Ru -","- C64 H112 Cl4 N12 O24 Ru4 -","4","1","","Colaiezzi, Roberta; Saviozzi, Chiara; di Nicola, Nicola; Zacchini, Stefano; Pampaloni, Guido; Crucianelli, Marcello; Marchetti, Fabio; Di Giuseppe, Andrea; Biancalana, Lorenzo","Ruthenium(ii) arene complexes bearing simple dioxime ligands: effective catalysts for the one-pot transfer hydrogenation/N-methylation of nitroarenes with methanol","Catalysis Science & Technology","2023","13","7","2160","2183","10.1039/D3CY00218G","","","0.71073","MoKα","","0.0247","0.0239","","","0.0525","0.0528","","","","","","1.142","","","","has coordinates","282243","2023-04-04","09:26:41","" "1568562","15.4589","0.001","13.1592","0.0008","17.7332","0.0011","90","","98.356","0.002","90","","3569.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 Cl N2 O3.5 Ru -","- C16 H28 Cl N2 O3.5 Ru -","- C128 H224 Cl8 N16 O28 Ru8 -","8","2","","Colaiezzi, Roberta; Saviozzi, Chiara; di Nicola, Nicola; Zacchini, Stefano; Pampaloni, Guido; Crucianelli, Marcello; Marchetti, Fabio; Di Giuseppe, Andrea; Biancalana, Lorenzo","Ruthenium(ii) arene complexes bearing simple dioxime ligands: effective catalysts for the one-pot transfer hydrogenation/N-methylation of nitroarenes with methanol","Catalysis Science & Technology","2023","13","7","2160","2183","10.1039/D3CY00218G","","","0.71073","MoKα","","0.0238","0.0195","","","0.0455","0.0468","","","","","","1.078","","","","has coordinates","282243","2023-04-04","09:26:50","" "1568563","11.4044","0.0004","11.659","0.0004","18.3508","0.0006","77.642","0.001","77.549","0.001","83.582","0.001","2321.88","0.14","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H56 B Cl4 N3 -","- C53 H56 B Cl4 N3 -","- C106 H112 B2 Cl8 N6 -","2","1","","Zou, Yang; Yu, Mingxin; Miao, Jingsheng; Huang, Taian; Liao, Shuokun; Cao, Xiaosong; Yang, Chuluo","Dynamic bond interactions fine-tune the properties of multiple resonance emitters towards highly efficient narrowband green OLEDs.","Chemical science","2023","14","12","3326","3331","10.1039/d3sc00246b","","","0.71073","MoKα","","0.149","0.0969","","","0.2507","0.3011","","","","","","1.04","","","","has coordinates","282308","2023-04-04","10:05:44","" "1568564","29.338","0.003","11.2565","0.0011","16.2958","0.0016","90","","90.366","0.003","90","","5381.5","0.9","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H56 B Cl4 N3 -","- C53 H56 B Cl4 N3 -","- C212 H224 B4 Cl16 N12 -","4","1","","Zou, Yang; Yu, Mingxin; Miao, Jingsheng; Huang, Taian; Liao, Shuokun; Cao, Xiaosong; Yang, Chuluo","Dynamic bond interactions fine-tune the properties of multiple resonance emitters towards highly efficient narrowband green OLEDs.","Chemical science","2023","14","12","3326","3331","10.1039/d3sc00246b","","","0.71073","MoKα","","0.1741","0.1221","","","0.3676","0.4253","","","","","","1.116","","","","has coordinates,has disorder","282308","2023-04-04","10:05:53","" "1568565","27.1355","0.0006","29.0697","0.0006","33.4936","0.0007","67.428","0.002","80.522","0.002","62.942","0.002","21724.7","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C350 H336 N62 O71 Se2 -","- C347 H185 N62 O71 Se2 -","- C694 H370 N124 O142 Se4 -","2","1","","Menke, Friedericke S.; Wicher, Barbara; Allmendinger, Lars; Maurizot, Victor; Huc, Ivan","An abiotic, tetrameric, eight-helix bundle.","Chemical science","2023","14","14","3742","3751","10.1039/d3sc00267e","","","1.54184","CuKα","","0.1722","0.1553","","","0.4558","0.4739","","","","","","2.094","","","","has coordinates","283175","2023-05-05","01:08:38","" "1568566","9.5281","0.0006","11.0226","0.0007","11.2386","0.0007","102.796","0.005","97.883","0.005","112.732","0.005","1028.54","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H60 B2 K2 O6 -","- C42 H60 B2 K2 O6 -","- C42 H60 B2 K2 O6 -","1","0.5","","Prey, Sven E.; Gilmer, Jannik; Teichmann, Samira V.; Čaić, Luis; Wenisch, Mischa; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis, bridgehead functionalization, and photoisomerization of 9,10-diboratatriptycene dianions.","Chemical science","2023","14","20","5316","5322","10.1039/d3sc00555k","","","0.71073","MoKα","","0.0557","0.0468","","","0.1072","0.1139","","","","","","1.194","","","","has coordinates","284223","2023-06-05","04:02:07","" "1568567","12.8057","0.0007","14.5978","0.0009","17.7056","0.0014","90","","90","","90","","3309.8","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 B2 K2 O6 -","- C30 H44 B2 K2 O6 -","- C120 H176 B8 K8 O24 -","4","1","","Prey, Sven E.; Gilmer, Jannik; Teichmann, Samira V.; Čaić, Luis; Wenisch, Mischa; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis, bridgehead functionalization, and photoisomerization of 9,10-diboratatriptycene dianions.","Chemical science","2023","14","20","5316","5322","10.1039/d3sc00555k","","","0.71073","MoKα","","0.0355","0.0326","","","0.0833","0.0848","","","","","","1.03","","","","has coordinates","284223","2023-06-05","04:02:09","" "1568568","12.793","0.0004","10.3041","0.0002","18.528","0.0005","90","","108.578","0.003","90","","2315.1","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 B2 Cl2 S2 -","- C23 H26 B2 Cl2 S2 -","- C92 H104 B8 Cl8 S8 -","4","1","","Prey, Sven E.; Gilmer, Jannik; Teichmann, Samira V.; Čaić, Luis; Wenisch, Mischa; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis, bridgehead functionalization, and photoisomerization of 9,10-diboratatriptycene dianions.","Chemical science","2023","14","20","5316","5322","10.1039/d3sc00555k","","","0.71073","MoKα","","0.0493","0.037","","","0.0962","0.1036","","","","","","1.018","","","","has coordinates,has disorder","284223","2023-06-05","04:02:09","" "1568569","8.4929","0.0003","9.7032","0.0003","16.0667","0.0006","85.041","0.003","82.312","0.003","84.756","0.003","1302.94","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 B2 I Li O2 -","- C28 H34 B2 I Li O2 -","- C56 H68 B4 I2 Li2 O4 -","2","1","","Prey, Sven E.; Gilmer, Jannik; Teichmann, Samira V.; Čaić, Luis; Wenisch, Mischa; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis, bridgehead functionalization, and photoisomerization of 9,10-diboratatriptycene dianions.","Chemical science","2023","14","20","5316","5322","10.1039/d3sc00555k","","","0.71073","MoKα","","0.0244","0.0226","","","0.0599","0.0611","","","","","","1.063","","","","has coordinates,has disorder","284223","2023-06-05","04:02:09","" "1568570","9.451","0.0003","27.0259","0.0012","18.235","0.0007","90","","102.177","0.003","90","","4552.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H64 B2 K2 O6 -","- C48 H64 B2 K2 O6 -","- C192 H256 B8 K8 O24 -","4","1","","Prey, Sven E.; Gilmer, Jannik; Teichmann, Samira V.; Čaić, Luis; Wenisch, Mischa; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis, bridgehead functionalization, and photoisomerization of 9,10-diboratatriptycene dianions.","Chemical science","2023","14","20","5316","5322","10.1039/d3sc00555k","","","0.71073","MoKα","","0.0731","0.05","","","0.1032","0.1114","","","","","","1.058","","","","has coordinates","284223","2023-06-05","04:02:09","" "1568571","36.4809","0.0003","14.42217","0.00012","7.54283","0.00007","90","","90","","90","","3968.54","0.06","100","0.1","100","0.1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C23 H33 O3.5 -","- C23 H33 O3.5 -","- C184 H264 O28 -","8","1","","Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong","Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.","Chemical science","2023","14","12","3302","3310","10.1039/d3sc00173c","","x-ray","1.54184","CuKα","","0.0409","0.0387","","","0.1024","0.1041","","","","","","1.045","","","","has coordinates","283190","2023-05-05","01:13:34","" "1568572","7.46953","0.00017","17.2423","0.0004","25.6766","0.0006","90","","90","","90","","3306.94","0.13","150","0.1","150","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H26 O3 -","- C21 H26 O3 -","- C168 H208 O24 -","8","1","","Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong","Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.","Chemical science","2023","14","12","3302","3310","10.1039/d3sc00173c","","x-ray","1.54184","CuKα","","0.0461","0.0406","","","0.1035","0.1073","","","","","","1.059","","","","has coordinates","283190","2023-05-05","01:13:35","" "1568573","9.6931","0.0004","25.8093","0.0008","7.4931","0.0003","90","","102.745","0.004","90","","1828.38","0.12","113.15","","113.15","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C23 H30 O2 -","- C23 H30 O2 -","- C92 H120 O8 -","4","1","","Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong","Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.","Chemical science","2023","14","12","3302","3310","10.1039/d3sc00173c","","x-ray","0.71073","MoKα","","0.0613","0.0503","","","0.1148","0.1241","","","","","","1.031","","","","has coordinates","283190","2023-05-05","01:13:35","" "1568574","13.3523","0.0001","7.5495","0.0001","16.8408","0.0001","90","","98.785","0.001","90","","1677.69","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 O3 -","- C21 H28 O3 -","- C84 H112 O12 -","4","1","","Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong","Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.","Chemical science","2023","14","12","3302","3310","10.1039/d3sc00173c","","x-ray","1.54184","CuKα","","0.0439","0.0404","","","0.1079","0.1106","","","","","","1.083","","","","has coordinates","283190","2023-05-05","01:13:35","" "1568575","9.484","0.0003","13.8807","0.0003","14.0827","0.0003","90","","90","","90","","1853.91","0.08","113.15","","113.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C92 H120 O12 -","4","1","","Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong","Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.","Chemical science","2023","14","12","3302","3310","10.1039/d3sc00173c","","x-ray","0.71073","MoKα","","0.0397","0.0356","","","0.089","0.0916","","","","","","1.044","","","","has coordinates","283190","2023-05-05","01:13:35","" "1568576","13.6639","0.0013","9.0204","0.0008","14.8989","0.0019","90","","115.024","0.003","90","","1664","0.3","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N2 S6 Zn -","- C10 H10 N2 S6 Zn -","- C40 H40 N8 S24 Zn4 -","4","0.5","","Zhou, Pan-Ke; Lin, Xiao-Li; Chee, Mun Yin; Lew, Wen Siang; Zeng, Tao; Li, Hao-Hong; Chen, Xiong; Chen, Zhi-Rong; Zheng, Hui-Dong","Switching the memory behaviour from binary to ternary by triggering S62- relaxation in polysulfide-bearing zinc-organic complex molecular memories.","Materials horizons","2023","10","7","2535","2541","10.1039/d3mh00037k","","","0.71073","MoKα","","0.0652","0.0315","","","0.0573","0.0647","","","","","","1.004","","","","has coordinates","284985","2023-07-05","11:06:43","" "1568577","8.1617","0.0009","9.4765","0.001","12.0105","0.0015","109.535","0.004","99.066","0.004","100.714","0.004","835.64","0.17","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 N2 S6 Zn -","- C12 H8 N2 S6 Zn -","- C24 H16 N4 S12 Zn2 -","2","1","","Zhou, Pan-Ke; Lin, Xiao-Li; Chee, Mun Yin; Lew, Wen Siang; Zeng, Tao; Li, Hao-Hong; Chen, Xiong; Chen, Zhi-Rong; Zheng, Hui-Dong","Switching the memory behaviour from binary to ternary by triggering S62- relaxation in polysulfide-bearing zinc-organic complex molecular memories.","Materials horizons","2023","10","7","2535","2541","10.1039/d3mh00037k","","","0.71073","MoKα","","0.0922","0.0667","","","0.1693","0.1863","","","","","","1.065","","","","has coordinates","284985","2023-07-05","11:06:44","" "1568578","9.175","0.0013","9.797","0.002","11.3263","0.0017","83.744","0.007","75.751","0.005","62.164","0.004","872.6","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","11","","- C12 H14 N2 S6 Zn -","- C12 H14 N2 S6 Zn -","- C24 H28 N4 S12 Zn2 -","2","1","","Zhou, Pan-Ke; Lin, Xiao-Li; Chee, Mun Yin; Lew, Wen Siang; Zeng, Tao; Li, Hao-Hong; Chen, Xiong; Chen, Zhi-Rong; Zheng, Hui-Dong","Switching the memory behaviour from binary to ternary by triggering S62- relaxation in polysulfide-bearing zinc-organic complex molecular memories.","Materials horizons","2023","10","7","2535","2541","10.1039/d3mh00037k","","","0.71073","MoKα","","0.0571","0.0549","","","0.1269","0.1285","","","","","","1.029","","","","has coordinates","284985","2023-07-05","11:06:44","" "1568579","18.958","0.004","7.3171","0.0017","22.257","0.005","90","","101.81","0.007","90","","3022.1","1.2","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 N2 S6 Zn -","- C10 H8 N2 S6 Zn -","- C80 H64 N16 S48 Zn8 -","8","1","","Zhou, Pan-Ke; Lin, Xiao-Li; Chee, Mun Yin; Lew, Wen Siang; Zeng, Tao; Li, Hao-Hong; Chen, Xiong; Chen, Zhi-Rong; Zheng, Hui-Dong","Switching the memory behaviour from binary to ternary by triggering S62- relaxation in polysulfide-bearing zinc-organic complex molecular memories.","Materials horizons","2023","10","7","2535","2541","10.1039/d3mh00037k","","","0.71073","MoKα","","0.1132","0.0525","","","0.0984","0.1175","","","","","","1.008","","","","has coordinates","284985","2023-07-05","11:06:44","" "1568580","8.916","0.0007","11.0941","0.001","12.5663","0.001","94.783","0.003","103.724","0.003","107.064","0.003","1138.58","0.17","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C60 H56 N4 -","2","1","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.1098","0.0609","","","0.1266","0.1406","","","","","","1.002","","","","has coordinates","281625","2023-03-05","01:55:59","" "1568581","17.4954","0.0015","23.7716","0.0018","26.188","0.002","90","","90","","90","","10891.4","1.5","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C63 H52 B Cl2 Cu F4 N2 P2 -","- C63 H52 B Cl2 Cu F4 N2 P2 -","- C504 H416 B8 Cl16 Cu8 F32 N16 P16 -","8","1","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.0948","0.0581","","","0.1464","0.1617","","","","","","1.048","","","","has coordinates","281625","2023-03-05","01:56:10","" "1568582","15.2564","0.001","16.0253","0.0011","23.0757","0.0015","90.355","0.003","93.137","0.003","98.235","0.003","5574.6","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C63 H50 Cu F3 N2 O3 P2 S -","- C63 H50 Cu F3 N2 O3 P2 S -","- C252 H200 Cu4 F12 N8 O12 P8 S4 -","4","2","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.1369","0.0788","","","0.2088","0.2374","","","","","","1.047","","","","has coordinates","281625","2023-03-05","01:56:14","" "1568583","16.7053","0.0012","14.7608","0.0011","22.8229","0.0017","90","","95.361","0.002","90","","5603.1","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H51 Cl3 Cu N3 O3 P2 -","- C63 H51 Cl3 Cu N3 O3 P2 -","- C252 H204 Cl12 Cu4 N12 O12 P8 -","4","1","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.1452","0.0728","","","0.1987","0.2296","","","","","","1.093","","","","has coordinates","281625","2023-03-05","01:56:14","" "1568584","17.979","0.003","24.99","0.004","27.167","0.004","90","","90","","90","","12206","3","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C67 H59 Cl3 Cu N3 O3 P2 -","- C67 H59 Cl3 Cu N3 O3 P2 -","- C536 H472 Cl24 Cu8 N24 O24 P16 -","8","1","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.1042","0.0638","","","0.1608","0.1818","","","","","","1.056","","","","has coordinates","281625","2023-03-05","01:56:16","" "1568585","13.2253","0.0004","13.2253","0.0004","40.325","0.0019","90","","90","","90","","7053.2","0.4","296","2","296","2","","","","","","","","7","P 41","P 4w","76","","","","- C69 H61 Cl9 Cu N3 O3 P2 -","- C69 H61 Cl9 Cu N3 O3 P2 -","- C276 H244 Cl36 Cu4 N12 O12 P8 -","4","1","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.0778","0.0611","","","0.1616","0.17","","","","","","0.997","","","","has coordinates","281625","2023-03-05","01:56:17","" "1568586","6.3088","0.0001","6.3088","0.0001","12.3067","0.0004","90","","90","","120","","424.195","0.017","273","2","273","2","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- In O3 Tb -","- In O3 Tb -","- In6 O18 Tb6 -","6","0.5","","Min, Chang; Wu, You; Li, Yanbin; Zhou, Chunming; Cheong, Sang-Wook; Lu, Xiaosong; Zhou, Tianyuan; Zhang, Le","Structural and Improper Ferroelectric Properties of TbInO3 Single Crystal Grown by Laser Floating Zone","Crystals","2023","13","2","287","","10.3390/cryst13020287","","","0.71073","MoKα","","0.0449","0.0415","","","0.0847","0.0885","","","","","","1.257","","","","has coordinates","281626","2023-03-05","03:27:49","" "1568587","8.0553","0.0003","3.7295","0.0002","7.3674","0.0003","90","","90","","90","","221.333","0.017","100.01","0.1","100.01","0.1","","","","","","","","4","P m n a","-P 2ac 2","53","","","","- Cl2 Cu H4 O2 -","- Cl2 Cu H4 O2 -","- Cl4 Cu2 H8 O4 -","2","0.25","","Boeré, René T.","Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors","Crystals","2023","13","2","293","","10.3390/cryst13020293","","x-ray","0.71073","MoKα","","0.0134","0.012","","","0.0257","0.0264","","","","","","1.0159","","","","has coordinates","281627","2023-03-05","03:29:23","" "1568588","8.0405","0.0004","3.7238","0.0002","7.3585","0.0004","90","","90","","90","","220.32","0.02","100.01","0.1","100.01","0.1","","","","","","","","4","P m n a","-P 2ac 2","53","","","","- Cl2 Cu H4 O2 -","- Cl2 Cu H4 O2 -","- Cl4 Cu2 H8 O4 -","2","0.25","","Boeré, René T.","Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors","Crystals","2023","13","2","293","","10.3390/cryst13020293","","x-ray","1.54184","CuKα","","0.0133","0.0133","","","0.0329","0.0329","","","","","","1.0526","","","","has coordinates","281627","2023-03-05","03:29:33","" "1568589","6.5628","0.0004","7.033","0.0004","8.7326","0.0006","90","","96.723","0.006","90","","400.29","0.04","99.98","0.1","99.98","0.1","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Nickel(II) chloride hexahydrate","","- Cl2 H12 Ni O6 -","- Cl2 H12 Ni O6 -","- Cl4 H24 Ni2 O12 -","2","0.25","","Boeré, René T.","Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors","Crystals","2023","13","2","293","","10.3390/cryst13020293","","x-ray","0.71073","MoKα","","0.0186","0.0175","","","0.0396","0.04","","","","","","0.9955","","","","has coordinates","281627","2023-03-05","03:29:45","" "1568590","6.5579","0.0002","7.0244","0.0003","8.7291","0.0003","90","","96.702","0.004","90","","399.36","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Nickel(II) chloride hexahydrate","","- Cl2 H12 Ni O6 -","- Cl2 H12 Ni O6 -","- Cl4 H24 Ni2 O12 -","2","0.25","","Boeré, René T.","Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors","Crystals","2023","13","2","293","","10.3390/cryst13020293","","x-ray","1.54184","CuKα","","0.0295","0.0276","","","0.0824","0.0843","","","","","","1.0438","","","","has coordinates","281627","2023-03-05","03:29:53","" "1568591","5.8633","0.0004","6.8363","0.0006","16.0587","0.0016","79.338","0.011","81.318","0.009","82.834","0.006","622.21","0.1","293.15","","293.15","","","","","","","","Synthesis","4","P -1","-P 1","2","Calcium sebacate","Calcium decanedioate monohydrate","","- C10 H18 Ca O5 -","- C10 H18 Ca O5 -","- C20 H36 Ca2 O10 -","2","1","","Lopresti, Mattia; Milanesio, Marco; Palin, Luca","The Crystal Structure of Calcium Sebacate by X-ray Powder Diffraction Data","Crystals","2023","13","2","261","","10.3390/cryst13020261","powder diffraction","x-ray","1.54175","CuKα","","3.851","","","","","","","","14.065","","","","","","","has coordinates","281628","2023-03-05","03:31:03","" "1568592","21.211","0.0017","3.7625","0.0003","13.9555","0.0011","90","","107.653","0.003","90","","1061.29","0.15","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H5 N O2 -","- C6 H5 N O2 -","- C48 H40 N8 O16 -","8","1","","Baptista, Diogo S.; Piedade, M. Fátima M.; Esteves, Catarina V.","Solubility and Crystallization Studies of Picolinic Acid","Crystals","2023","13","3","392","","10.3390/cryst13030392","","","0.71073","MoKα","","0.0835","0.0632","","","0.1481","0.1565","","","","","","1.095","","","","has coordinates","281629","2023-03-05","03:31:48","" "1568593","17.8167","0.0003","17.9076","0.0003","19.7519","0.0004","116.936","0.002","116.807","0.002","90.012","0.001","4846","0.2","130","2","130","2","","","","","","","","5","P 1","P 1","1","","","","- C96 H110 Cl42 Mo18 O97 -","- C96 H110 Cl42 Mo18 O97 -","- C96 H110 Cl42 Mo18 O97 -","1","1","","Ivanov, Anton A.; Abramov, Pavel A.; Haouas, Mohamed; Molard, Yann; Cordier, Stéphane; Falaise, Clément; Cadot, Emmanuel; Shestopalov, Michael A.","Supramolecular Host–Guest Assemblies of [M6Cl14]2–, M = Mo, W, Clusters with γ-Cyclodextrin for the Development of CLUSPOMs","Inorganics","2023","11","2","77","","10.3390/inorganics11020077","","x-ray","0.71073","MoKα","","0.1486","0.1443","","","0.3181","0.3202","","","","","","1.091","","","","has coordinates,has disorder","281630","2023-03-05","07:50:36","" "1568594","23.806","0.001","23.806","0.001","22.831","0.001","90","","90","","90","","12938.9","1","200.15","","200.15","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C144 H168 Cl14 Mo6 O140 -","- C144 H168 Cl14 Mo6 O138 -","- C288 H336 Cl28 Mo12 O276 -","2","0.25","","Ivanov, Anton A.; Abramov, Pavel A.; Haouas, Mohamed; Molard, Yann; Cordier, Stéphane; Falaise, Clément; Cadot, Emmanuel; Shestopalov, Michael A.","Supramolecular Host–Guest Assemblies of [M6Cl14]2–, M = Mo, W, Clusters with γ-Cyclodextrin for the Development of CLUSPOMs","Inorganics","2023","11","2","77","","10.3390/inorganics11020077","","","0.71073","MoKα","","0.0811","0.0749","","","0.2134","0.2199","","","","","","1.038","","","","has coordinates","281630","2023-03-05","07:50:39","" "1568595","35.7254","0.0005","35.7254","0.0005","34.3472","0.0012","90","","90","","90","","43837.5","1.8","130","2","130","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C192 H224 Cl42 O189.6 W18 -","- C192 H224 Cl42 O189.6 W18 -","- C768 H896 Cl168 O758.4 W72 -","4","0.25","","Ivanov, Anton A.; Abramov, Pavel A.; Haouas, Mohamed; Molard, Yann; Cordier, Stéphane; Falaise, Clément; Cadot, Emmanuel; Shestopalov, Michael A.","Supramolecular Host–Guest Assemblies of [M6Cl14]2–, M = Mo, W, Clusters with γ-Cyclodextrin for the Development of CLUSPOMs","Inorganics","2023","11","2","77","","10.3390/inorganics11020077","","x-ray","0.71073","MoKα","","0.1326","0.0657","","","0.1563","0.1922","","","","","","1.026","","","","has coordinates,has disorder","281630","2023-03-05","07:50:42","" "1568596","15.632","0.001","25.5634","0.0015","12.2766","0.0008","90","","90","","90","","4905.8","0.5","150","2","150","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C27 H36 Br2 Mo5 N18 O2 Se5 -","- C27 H28 Br2 Mo5 N18 O2 Se5 -","- C108 H112 Br8 Mo20 N72 O8 Se20 -","4","0.5","","Savina, Iulia V.; Ivanov, Anton A.; Evtushok, Darya V.; Gayfulin, Yakov M.; Komarovskikh, Andrey Y.; Syrokvashin, Mikhail M.; Ivanova, Mariia N.; Asanov, Igor P.; Eltsov, Ilia V.; Kuratieva, Natalia V.; Mironov, Yuri V.; Shestopalov, Michael A.","Unusual Square Pyramidal Chalcogenide Mo5 Cluster with Bridging Pyrazolate-Ligands.","International journal of molecular sciences","2023","24","4","3440","","10.3390/ijms24043440","","x-ray","0.71073","MoKα","","0.0462","0.0331","","","0.0814","0.0852","","","","","","1.064","","","","has coordinates,has disorder","281631","2023-03-05","14:52:02","" "1568597","15.6443","0.0004","15.6443","0.0004","11.3058","0.0002","90","","90","","90","","2767.03","0.11","150","2","150","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C39 H48 Br Mo5 N26 Se5 -","- C39 H44 Br Mo5 N26 Se5 -","- C78 H88 Br2 Mo10 N52 Se10 -","2","0.25","","Savina, Iulia V.; Ivanov, Anton A.; Evtushok, Darya V.; Gayfulin, Yakov M.; Komarovskikh, Andrey Y.; Syrokvashin, Mikhail M.; Ivanova, Mariia N.; Asanov, Igor P.; Eltsov, Ilia V.; Kuratieva, Natalia V.; Mironov, Yuri V.; Shestopalov, Michael A.","Unusual Square Pyramidal Chalcogenide Mo5 Cluster with Bridging Pyrazolate-Ligands.","International journal of molecular sciences","2023","24","4","3440","","10.3390/ijms24043440","","x-ray","0.71073","MoKα","","0.0233","0.0197","","","0.0493","0.0506","","","","","","1.053","","","","has coordinates","281632","2023-03-05","14:52:37","" "1568598","13.3722","0.0015","13.3488","0.0018","21.585","0.003","92.345","0.006","90.153","0.008","120.34","0.03","3321.3","1.3","303","2","303","2","","","","","","","Buca della Vena mine, Italy","4","P 1","P 1","1","","","bohuslavite","- Fe16 O128 P12 S4 -","- Fe16 O128 P12 S4 -","- Fe16 O128 P12 S4 -","1","1","","Mauro, Daniela; Biagioni, Cristian","New Crystal-Structure Data on Bohuslavite, Fe3+4(PO4)3(SO4)(OH)(H2O)10·nH2O","Minerals","2023","13","2","286","","10.3390/min13020286","","","0.71073","MoKα","","0.1968","0.1498","","","0.4013","0.4527","","","","","","1.089","","","","has coordinates","281633","2023-03-05","20:51:18","" "1568599","20.845","0.0009","4.6353","0.0002","22.7163","0.0011","90","","107.329","0.005","90","","2095.29","0.17","100","2","100","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C12 H9 N5 -","- C12 H9 N5 -","- C96 H72 N40 -","8","1","","Ershov, Ivan S.; Esikov, Kirill A.; Nesterova, Olga M.; Skryl’nikova, Mariya A.; Khramchikhin, Andrey V.; Shmaneva, Nadezda T.; Chernov, Ivan S.; Chernova, Ekaterina N.; Puzyk, Aleksandra M.; Sivtsov, Eugene V.; Pavlyukova, Yuliya N.; Trifonov, Rostislav E.; Ostrovskii, Vladimir A.","3-(5-Phenyl-2H-tetrazol-2-yl)pyridine","Molbank","2023","2023","1","M1598","","10.3390/M1598","","x-ray","1.54184","CuKα","","0.0433","0.0386","","","0.0966","0.0996","","","","","","1.064","","","","has coordinates","281634","2023-03-05","21:04:46","" "1568600","10.5007","0.0005","10.5738","0.0006","11.029","0.0005","102.277","0.004","91.709","0.004","117.108","0.005","1053.76","0.11","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Mn N2 O4 S2 -","- C22 H16 Mn N2 O4 S2 -","- C44 H32 Mn2 N4 O8 S4 -","2","1","","Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies","Molecules","2023","28","5","2139","","10.3390/molecules28052139","","x-ray","0.71073","MoKα","","0.0506","0.0384","","","0.0884","0.0936","","","","","","1.046","","","","has coordinates","281637","2023-03-05","23:20:05","" "1568601","10.88","0.005","25.477","0.001","12.919","0.004","90","","109.29","0.02","90","","3380","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H40 Mn3 N4 O12 S6 -","- C62 H40 Mn3 N4 O12 S6 -","- C124 H80 Mn6 N8 O24 S12 -","2","0.5","","Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies","Molecules","2023","28","5","2139","","10.3390/molecules28052139","","","0.745","synchrotron","","0.0606","0.0502","","","0.1459","0.153","","","","","","1.061","","","","has coordinates,has disorder","281638","2023-03-05","23:20:27","" "1568602","16.206","0.003","11.501","0.004","22.561","0.003","90","","107.876","0.006","90","","4002","1.7","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C34.5 H26.5 Mn2 N3.5 O9.5 S4 -","- C34.5 H26.5 Mn2 N3.5 O9.5 S4 -","- C138 H106 Mn8 N14 O38 S16 -","4","1","","Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies","Molecules","2023","28","5","2139","","10.3390/molecules28052139","","","0.79313","synchrotron","","0.0568","0.0516","","","0.1493","0.1533","","","","","","1.028","","","","has coordinates,has disorder","281639","2023-03-05","23:20:53","" "1568603","14.9591","0.0005","17.085","0.0006","17.8936","0.0007","90","","104.678","0.004","90","","4423.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Mn2 N4 O10 S4 -","- C38 H34 Mn2 N4 O10 S4 -","- C152 H136 Mn8 N16 O40 S16 -","4","1","","Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies","Molecules","2023","28","5","2139","","10.3390/molecules28052139","","x-ray","0.71073","MoKα","","0.0506","0.0409","","","0.1194","0.1245","","","","","","1.047","","","","has coordinates,has disorder","281640","2023-03-05","23:21:20","" "1568604","16.4304","0.0005","25.1354","0.0009","18.4058","0.0005","90","","94.705","0.003","90","","7575.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H71 Mn3 N9 O17 S6 -","- C69 H71 Mn3 N9 O17 S6 -","- C276 H284 Mn12 N36 O68 S24 -","4","1","","Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies","Molecules","2023","28","5","2139","","10.3390/molecules28052139","","x-ray","0.71073","MoKα","","0.0467","0.0323","","","0.0787","0.084","","","","","","1.046","","","","has coordinates,has disorder","281641","2023-03-05","23:21:45","" "1568605","10.9298","0.0004","25.5452","0.0011","13.0284","0.0005","90","","111.044","0.004","90","","3395","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H56 Mn3 N8 O16 S6 -","- C62 H56 Mn3 N8 O16 S6 -","- C124 H112 Mn6 N16 O32 S12 -","2","0.5","","Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies","Molecules","2023","28","5","2139","","10.3390/molecules28052139","","x-ray","0.71073","MoKα","","0.0482","0.0395","","","0.1109","0.116","","","","","","1.041","","","","has coordinates,has disorder","281642","2023-03-05","23:22:19","" "1568606","3.9619","0.0004","24.465","0.002","12.6409","0.0013","90","","96.409","0.009","90","","1217.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Br N S -","- C13 H8 Br N S -","- C52 H32 Br4 N4 S4 -","4","1","","Ye, Dongnai; Liu, Lei; Zhang, Yujie; Qiu, Jiabin; Tan, Zhirong; Xing, Yuqin; Liu, Shiyong","Tunable Donor–Acceptor Linear Conjugated Polymers Involving Cyanostyrylthiophene Linkages for Visible-Light-Driven Hydrogen Production","Molecules","2023","28","5","2203","","10.3390/molecules28052203","","","0.71073","MoKα","","0.1821","0.1027","","","0.2535","0.2997","","","","","","1.067","","","","has coordinates","281643","2023-03-05","23:22:42","" "1568607","8.78","0.0018","8.92","0.0018","11.62","0.002","84.56","0.03","81.25","0.03","76.39","0.03","872.6","0.3","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C20 H21 O7 -","- C20 H22 O7 -","- C40 H44 O14 -","2","2","","Mathew, Shintu; Zhang, Kenneth; Zhou, Xian; Münch, Gerald; Bodkin, Francis; Li, Feng; Raju, Ritesh","Myrtinols A–F: New Anti-Inflammatory Peltogynoid Flavonoid Derivatives from the Leaves of Australian Indigenous Plant Backhousia myrtifolia","Molecules","2023","28","5","2160","","10.3390/molecules28052160","","","0.71073","MoKα","","0.0387","0.0383","","","0.1031","0.1045","","","","","","1.048","","","","has coordinates","281644","2023-03-05","23:23:11","" "1568608","9.8772","0.0004","9.1364","0.0003","20.2948","0.0007","90","","103.341","0.0017","90","","1782.02","0.11","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 Fe N8 O4 -","- C44 H32 Fe N8 O4 -","- C88 H64 Fe2 N16 O8 -","2","0.5","","Li, Qing; Xu, Bo-Wei; Zou, Yi-Ming; Niu, Ru-Jie; Chen, Jin-Xiang; Zhang, Wen-Hua; Young, David James.","Nanoscale Two-Dimensional FeII- and CoII-Based Metal–Organic Frameworks of Porphyrin Ligand for the Photodynamic Therapy of Breast Cancer","Molecules","2023","28","5","2125","","10.3390/molecules28052125","","","1.34138","GaKα","","0.0716","0.0533","","","0.1627","0.1834","","","","","","1.048","","","","has coordinates","281645","2023-03-05","23:23:35","" "1568609","10.2162","0.0002","15.0449","0.0003","19.1173","0.0003","90","","90.438","0.001","90","","2938.28","0.09","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H49 B10 N O2 -","- C23 H49 B10 N O2 -","- C92 H196 B40 N4 O8 -","4","1","","Klyukin, Ilya N.; Kolbunova, Anastasia V.; Novikov, Alexander S.; Nelyubin, Alexey V.; Zhdanov, Andrey P.; Kubasov, Alexey S.; Selivanov, Nikita A.; Bykov, Alexander Yu; Zhizhin, Konstantin Yu; Kuznetsov, Nikolay T.","Synthesis of Disubstituted Carboxonium Derivatives of Closo-Decaborate Anion [2,6-B10H8O2CC6H5]-: Theoretical and Experimental Study.","Molecules (Basel, Switzerland)","2023","28","4","1757","","10.3390/molecules28041757","","","1.54178","CuKα","","0.1295","0.0966","","","0.2187","0.2385","","","","","","1.086","","","","has coordinates","281646","2023-03-05","23:24:43","" "1568610","33.7993","0.001","33.7993","0.001","7.9398","0.0005","90","","90","","90","","9070.4","0.7","298.15","","298.15","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C112 H70 N8 O59 Y8 -","- C112 H70 N8 O59 Y8 -","- C224 H140 N16 O118 Y16 -","2","0.25","","Li, Juan; Wang, Airong; Qiu, Shiming; Wang, Xiaoli; Li, Jiaming","A 12-Connected [Y4((μ3-OH)4]8+ Cluster-Based Luminescent Metal-Organic Framework for Selective Turn-on Detection of F- in H2O.","Molecules (Basel, Switzerland)","2023","28","4","1893","","10.3390/molecules28041893","","x-ray","0.71073","MoKα","","0.1419","0.1209","","","0.3069","0.3291","","","","","","1.053","","","","has coordinates,has disorder","281647","2023-03-05","23:25:10","" "1568611","8.3118","0.0007","8.452","0.0005","12.0667","0.0008","80.772","0.005","79.03","0.006","72.149","0.006","787.41","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H8 Br Cl F2 O3 -","- C18 H8 Br Cl F2 O3 -","- C36 H16 Br2 Cl2 F4 O6 -","2","1","","Linde, Sif T.; Corti, Vasco; Lauridsen, Vibeke H.; Lamhauge, Johannes N.; Jørgensen, Karl Anker; Rezayee, Nomaan M.","Atroposelective brominations to access chiral biaryl scaffolds using high-valent Pd-catalysis.","Chemical science","2023","14","13","3676","3681","10.1039/d2sc06131g","","x-ray","0.71073","MoKα","","0.0519","0.0421","","","0.103","0.1114","","","","","","1.0351","","","","has coordinates","283169","2023-05-05","01:06:05","" "1568612","10.6752","0.0002","11.971","0.0004","12.2865","0.0004","90","","90","","90","","1570.13","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9.714 H9.143 Br1.143 O1.143 -","- C9.71429 H9.14286 Br1.14286 O1.14286 -","- C68 H64 Br8 O8 -","7","1.75","","Linde, Sif T.; Corti, Vasco; Lauridsen, Vibeke H.; Lamhauge, Johannes N.; Jørgensen, Karl Anker; Rezayee, Nomaan M.","Atroposelective brominations to access chiral biaryl scaffolds using high-valent Pd-catalysis.","Chemical science","2023","14","13","3676","3681","10.1039/d2sc06131g","","x-ray","0.71073","MoKα","","0.0381","0.0337","","","0.0674","0.0715","","","","","","1.0319","","","","has coordinates","283169","2023-05-05","01:06:06","" "1568613","10.4129","0.0001","10.4129","0.0001","10.4129","0.0001","90","","90","","90","","1129.06","0.019","300","2","300","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Cl12 Cs4 Mo2 Na2 -","- Cl12 Cs4 Mo2 Na2 -","- Cl24 Cs8 Mo4 Na4 -","2","0.0104167","","Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap","Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.","Chemical science","2023","14","15","3982","3989","10.1039/d3sc00132f","","","0.71073","MoKα","","0.0161","0.0136","","","0.0371","0.0382","","","","","","1.225","","","","has coordinates","283187","2023-05-05","01:12:30","" "1568614","7.3359","0.0002","7.3359","0.0002","6.8017","0.0002","90","","90","","120","","316.997","0.015","293","2","293","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C2 H12 Ag Cl6 Mo N2 -","- C2 H12.0024 Ag Cl6 Mo N2 -","- C2 H12.0024 Ag Cl6 Mo N2 -","1","0.0833333","","Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap","Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.","Chemical science","2023","14","15","3982","3989","10.1039/d3sc00132f","","","0.71073","MoKα","","0.0369","0.0368","","","0.0964","0.0964","","","","","","1.373","","","","has coordinates","283187","2023-05-05","01:12:31","" "1568615","7.636","0.002","7.671","0.002","9.789","0.003","80.191","0.012","88.082","0.012","89.402","0.012","564.7","0.3","460","2","460","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H28 Ag Cl8 Mo N4 -","- C8 H28 Ag Cl8 Mo N4 -","- C8 H28 Ag Cl8 Mo N4 -","1","0.5","","Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap","Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.","Chemical science","2023","14","15","3982","3989","10.1039/d3sc00132f","","","0.71073","MoKα","","0.0643","0.0412","","","0.1038","0.1144","","","","","","1.067","","","","has coordinates","283187","2023-05-05","01:12:31","" "1568616","7.6668","0.0015","7.7072","0.0014","9.449","0.0014","102.229","0.008","91.183","0.006","90.127","0.006","545.54","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H28 Ag Cl8 Mo N4 -","- C8 H28 Ag Cl8 Mo N4 -","- C8 H28 Ag Cl8 Mo N4 -","1","0.5","","Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap","Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.","Chemical science","2023","14","15","3982","3989","10.1039/d3sc00132f","","","0.71073","MoKα","","0.041","0.0396","","","0.118","0.1188","","","","","","1.187","","","","has coordinates","283187","2023-05-05","01:12:31","" "1568617","16.0647","0.0009","7.3477","0.0004","16.1264","0.0008","90","","103.599","0.002","90","","1850.17","0.17","300","2","300","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C4 H24 Cl7 Mo N4 -","- C4 H24 Cl7 Mo N4 -","- C16 H96 Cl28 Mo4 N16 -","4","1","","Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap","Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.","Chemical science","2023","14","15","3982","3989","10.1039/d3sc00132f","","","0.71073","MoKα","","0.041","0.0251","","","0.0496","0.054","","","","","","1.037","","","","has coordinates","283187","2023-05-05","01:12:31","" "1568618","11.6629","0.0009","10.2338","0.0005","20.6113","0.0012","90","","105.744","0.007","90","","2367.8","0.3","150.01","0.1","150.01","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","W(u-CF)(AuCl)(CO)2(Tp*)","","- C18 H22 Au B Cl F N6 O2 W -","- C18 H22 Au B Cl F N6 O2 W -","- C72 H88 Au4 B4 Cl4 F4 N24 O8 W4 -","4","1","","Manzano, Richard A.; Hill, Anthony F.","Fluorocarbyne complexes via electrophilic fluorination of carbido ligands.","Chemical science","2023","14","14","3776","3781","10.1039/d3sc00261f","","x-ray","0.71073","MoKα","","0.0497","0.0359","","","0.0671","0.0734","","","","","","1.015","","","","has coordinates","283172","2023-05-05","01:06:50","" "1568619","7.9256","0.0003","13.8329","0.0007","19.194","0.0009","90","","96.493","0.004","90","","2090.82","0.17","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 B F Mo N6 O2 -","- C18 H22 B F Mo N6 O2 -","- C72 H88 B4 F4 Mo4 N24 O8 -","4","1","","Manzano, Richard A.; Hill, Anthony F.","Fluorocarbyne complexes via electrophilic fluorination of carbido ligands.","Chemical science","2023","14","14","3776","3781","10.1039/d3sc00261f","","x-ray","0.71073","MoKα","","0.0715","0.0632","","","0.1457","0.1489","","","","","","1.19","","","","has coordinates","283172","2023-05-05","01:06:50","" "1568620","10.2031","0.0002","11.8054","0.0003","16.122","0.0004","74.925","0.002","89.781","0.002","89.984","0.002","1875.08","0.08","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C90 H51 B3 Br6 -","- C90 H51 B3 Br6 -","- C90 H51 B3 Br6 -","1","1","","Guo, Jing; Zhang, Kaihua; Wang, Yanpei; Wei, Haipeng; Xiao, Wang; Yang, Kun; Zeng, Zebing","Fully-fused boron-doped olympicenes: modular synthesis, tunable optoelectronic properties, and one-electron reduction.","Chemical science","2023","14","15","4158","4165","10.1039/d3sc00342f","","x-ray","1.54184","CuKα","","0.0609","0.0511","","","0.124","0.1289","","","","","","1.043","","","","has coordinates","283183","2023-05-05","01:11:03","" "1568621","9.6748","0.0003","10.1293","0.0004","17.5132","0.0006","97.089","0.003","94.219","0.003","117.91","0.003","1488.08","0.1","99.98","0.11","99.98","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C37 H22 B Br2 Cl3 -","- C37 H22 B Br2 Cl3 -","- C74 H44 B2 Br4 Cl6 -","2","1","","Guo, Jing; Zhang, Kaihua; Wang, Yanpei; Wei, Haipeng; Xiao, Wang; Yang, Kun; Zeng, Zebing","Fully-fused boron-doped olympicenes: modular synthesis, tunable optoelectronic properties, and one-electron reduction.","Chemical science","2023","14","15","4158","4165","10.1039/d3sc00342f","","x-ray","1.54184","CuKα","","0.0704","0.0621","","","0.1779","0.1916","","","","","","1.07","","","","has coordinates","283183","2023-05-05","01:11:03","" "1568622","9.3498","0.0008","11.4321","0.001","15.5813","0.0014","69.242","0.002","84.549","0.002","77.162","0.002","1518.2","0.2","131","2","131","","","","","","","","","4","P -1","-P 1","2","","","","- C68 H86 B2 N6 -","- C68 H86 B2 N6 -","- C68 H86 B2 N6 -","1","0.5","","Dai, Yuyang; Xie, Zhuofeng; Bao, Manling; Liu, Chunmeng; Su, Yuanting","Multiple stable redox states and tunable ground states via the marriage of viologens and Chichibabin's hydrocarbon.","Chemical science","2023","14","13","3548","3553","10.1039/d3sc00102d","","","1.34139","GaKα","","0.0567","0.055","","","0.1395","0.141","","","","","","1.043","","","","has coordinates","282285","2023-04-04","09:55:42","" "1568623","9.7065","0.001","10.4206","0.0011","16.6116","0.0017","73.769","0.004","73.502","0.004","79.487","0.004","1537.1","0.3","138","2","138","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H80 B2 F6 N6 Sb -","- C62 H79.12 B2 F6 N6 Sb -","- C62 H79.12 B2 F6 N6 Sb -","1","0.5","","Dai, Yuyang; Xie, Zhuofeng; Bao, Manling; Liu, Chunmeng; Su, Yuanting","Multiple stable redox states and tunable ground states via the marriage of viologens and Chichibabin's hydrocarbon.","Chemical science","2023","14","13","3548","3553","10.1039/d3sc00102d","","","1.34139","GaKα","","0.069","0.0637","","","0.1782","0.1815","","","","","","1.089","","","","has coordinates,has disorder","282285","2023-04-04","09:55:42","" "1568624","32.041","0.003","12.9784","0.0011","16.7286","0.0014","90","","117.642","0.002","90","","6162.5","0.9","135","2","135","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H88 B2 N6 -","- C66 H88 B2 N6 -","- C264 H352 B8 N24 -","4","0.5","","Dai, Yuyang; Xie, Zhuofeng; Bao, Manling; Liu, Chunmeng; Su, Yuanting","Multiple stable redox states and tunable ground states via the marriage of viologens and Chichibabin's hydrocarbon.","Chemical science","2023","14","13","3548","3553","10.1039/d3sc00102d","","","1.34139","GaKα","","0.0674","0.0644","","","0.1693","0.1724","","","","","","1.063","","","","has coordinates","282285","2023-04-04","09:55:42","" "1568625","24.71","0.0012","21.2756","0.001","24.7191","0.0012","90","","98.219","0.002","90","","12861.9","1.1","120","2","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108 H96 Al2 B2 F72 N6 O8 -","- C108 H96 Al2 B2 F72 N6 O8 -","- C432 H384 Al8 B8 F288 N24 O32 -","4","1","","Dai, Yuyang; Xie, Zhuofeng; Bao, Manling; Liu, Chunmeng; Su, Yuanting","Multiple stable redox states and tunable ground states via the marriage of viologens and Chichibabin's hydrocarbon.","Chemical science","2023","14","13","3548","3553","10.1039/d3sc00102d","","","1.34139","GaKα","","0.1491","0.1444","","","0.3288","0.3316","","","","","","1.028","","","","has coordinates,has disorder","282285","2023-04-04","09:55:42","" "1568626","41.7016","0.0013","15.1215","0.0005","19.8592","0.0005","90","","90","","90","","12523","0.7","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C27 H20 Co O5 P2 -","- C27 H20 Co O5 P2 -","- C432 H320 Co16 O80 P32 -","16","1","","Huang, Weiheng; Jackstell, Ralf; Spannenberg, Anke; Beller, Matthias","An improved cobalt-catalysed alkoxycarbonylation of olefins using secondary phosphine oxide promotors","Catalysis Science & Technology","2023","13","8","2475","2479","10.1039/D3CY00066D","","","1.54178","CuKα","","0.0551","0.0502","","","0.1279","0.1317","","","","","","1.018","","","","has coordinates,has disorder","283006","2023-05-04","23:54:29","" "1568627","13.3238","0.0006","20.1104","0.0007","16.9292","0.0007","90","","96.463","0.004","90","","4507.3","0.3","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(±)-3a","[2.2]Triphenylenophane","","- C58 H46 N2 O6 S2 -","- C58 H46 N2 O6 S2 -","- C232 H184 N8 O24 S8 -","4","1","","Kawai, Yuya; Nogami, Juntaro; Nagashima, Yuki; Tanaka, Ken","Stereoselective synthesis of [2.2]triphenylenophanes via intramolecular double [2 + 2 + 2] cycloadditions.","Chemical science","2023","14","15","3963","3972","10.1039/d3sc00571b","","x-ray","0.71073","MoKα","","0.1235","0.0633","","","0.1511","0.181","","","","","","0.975","","","","has coordinates","283181","2023-05-05","01:10:30","" "1568628","12.9227","0.0004","24.0368","0.0007","17.132","0.0005","90","","97.506","0.003","90","","5275.9","0.3","210","","210","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(±)-3e","[2.2][5]Helicenophane","","- C70 H52 O2 -","- C70 H52 O2 -","- C280 H208 O8 -","4","1","","Kawai, Yuya; Nogami, Juntaro; Nagashima, Yuki; Tanaka, Ken","Stereoselective synthesis of [2.2]triphenylenophanes via intramolecular double [2 + 2 + 2] cycloadditions.","Chemical science","2023","14","15","3963","3972","10.1039/d3sc00571b","","x-ray","0.71073","MoKα","","0.1502","0.0765","","","0.1708","0.1958","","","","","","0.986","","","","has coordinates,has disorder","283181","2023-05-05","01:10:40","" "1568629","8.9688","0.0003","15.8749","0.0006","16.3925","0.0005","90","","90","","90","","2333.94","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N4 Pd -","- C26 H32 N4 Pd -","- C104 H128 N16 Pd4 -","4","1","","Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.","C-H bond activation via concerted metalation-deprotonation at a palladium(iii) center.","Chemical science","2023","14","14","3800","3808","10.1039/d3sc00034f","","","0.71073","MoKα","","0.0403","0.0396","","","0.0931","0.094","","","","","","1.379","","","","has coordinates","283174","2023-05-05","01:08:18","" "1568630","17.1932","0.0005","11.4548","0.0003","8.6473","0.0003","90","","90","","90","","1703.04","0.09","173","2","173","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C30 H38 Cl2 N6 O8 Pd -","- C30 H38 Cl2 N6 O8 Pd -","- C60 H76 Cl4 N12 O16 Pd2 -","2","0.5","","Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.","C-H bond activation via concerted metalation-deprotonation at a palladium(iii) center.","Chemical science","2023","14","14","3800","3808","10.1039/d3sc00034f","","","0.71073","MoKα","","0.0314","0.0267","","","0.061","0.0634","","","","","","1.049","","","","has coordinates","283174","2023-05-05","01:08:19","" "1568631","14.0733","0.0011","18.7386","0.0015","15.869","0.0012","90","","109.564","0.005","90","","3943.3","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H51 Cl3 Li N4 O11 Pd -","- C34 H51 Cl3 Li N4 O11 Pd -","- C136 H204 Cl12 Li4 N16 O44 Pd4 -","4","1","","Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.","C-H bond activation via concerted metalation-deprotonation at a palladium(iii) center.","Chemical science","2023","14","14","3800","3808","10.1039/d3sc00034f","","","0.71073","MoKα","","0.1178","0.0578","","","0.1236","0.1533","","","","","","1.011","","","","has coordinates,has disorder","283174","2023-05-05","01:08:19","" "1568632","11.34","0.001","12.2808","0.001","20.326","0.002","90","","90","","90","","2830.7","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 Cl N5 O4 Pd -","- C28 H35 Cl N5 O4 Pd -","- C112 H140 Cl4 N20 O16 Pd4 -","4","1","","Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.","C-H bond activation via concerted metalation-deprotonation at a palladium(iii) center.","Chemical science","2023","14","14","3800","3808","10.1039/d3sc00034f","","","0.71073","MoKα","","0.029","0.0249","","","0.0508","0.0524","","","","","","1.018","","","","has coordinates,has disorder","283174","2023-05-05","01:08:19","" "1568633","8.7777","0.0002","30.6361","0.0006","9.7205","0.0002","90","","113.69","","90","","2393.71","0.09","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 Cl N4 Pd -","- C26 H33 Cl N4 Pd -","- C104 H132 Cl4 N16 Pd4 -","4","1","","Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.","C-H bond activation via concerted metalation-deprotonation at a palladium(iii) center.","Chemical science","2023","14","14","3800","3808","10.1039/d3sc00034f","","","0.71073","MoKα","","0.0185","0.0178","","","0.0431","0.0435","","","","","","1.1","","","","has coordinates","283174","2023-05-05","01:08:19","" "1568634","13.3548","0.0001","14.7155","0.0001","11.9066","0.0001","90","","105.491","0.001","90","","2254.91","0.03","123.2","0.3","123.2","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 Br2 Fe P5 -","- C16 H27 Br2 Fe P5 -","- C64 H108 Br8 Fe4 P20 -","4","1","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.39222","CuKβ","","0.0491","0.048","","","0.1321","0.1335","","","","","","1.053","","","","has coordinates","283177","2023-05-05","01:09:13","" "1568635","9.1712","0.0001","14.2201","0.0001","14.903","0.0002","90","","90","","90","","1943.58","0.04","123.01","0.1","123.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 Fe P5 -","- C15 H25 Fe P5 -","- C60 H100 Fe4 P20 -","4","1","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0271","0.0267","","","0.059","0.0592","","","","","","1.076","","","","has coordinates","283177","2023-05-05","01:09:13","" "1568636","9.4353","0.0002","13.7981","0.0003","15.3668","0.0004","69.087","0.002","77.735","0.002","89.91","0.002","1820.09","0.08","123","0.1","123","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H23 Fe P5 -","- C14 H23 Fe P5 -","- C56 H92 Fe4 P20 -","4","2","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0362","0.0355","","","0.0971","0.0978","","","","","","1.058","","","","has coordinates","283177","2023-05-05","01:09:13","" "1568637","8.4755","0.0001","8.8421","0.0001","22.8473","0.0003","90","","90","","90","","1712.2","0.04","123","0.1","123","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 Fe P5 -","- C13 H21 Fe P5 -","- C52 H84 Fe4 P20 -","4","1","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0274","0.0272","","","0.0737","0.0739","","","","","","1.036","","","","has coordinates","283177","2023-05-05","01:09:13","" "1568638","9.293","0.0003","14.8439","0.0005","14.4562","0.0005","90","","90","","90","","1994.15","0.12","122.99","0.1","122.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 Fe P5 -","- C16 H27 Fe P5 -","- C64 H108 Fe4 P20 -","4","1","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0468","0.0462","","","0.1091","0.1093","","","","","","1.2","","","","has coordinates,has disorder","283177","2023-05-05","01:09:13","" "1568639","16.7779","0.0001","10.4268","0.0001","11.693","0.0001","90","","101.778","0.001","90","","2002.5","0.03","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 P S -","- C10 H13 P S -","- C80 H104 P8 S8 -","8","2","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0279","0.0272","","","0.0746","0.0751","","","","","","1.049","","","","has coordinates","283177","2023-05-05","01:09:13","" "1568640","19.03","0.0005","6.1666","0.0002","10.2233","0.0002","90","","97.346","0.002","90","","1189.86","0.06","122.97","0.11","122.97","0.11","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C12 H17 P S -","- C12 H17 P S -","- C48 H68 P4 S4 -","4","2","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0654","0.0599","","","0.1648","0.1704","","","","","","1.057","","","","has coordinates,has disorder","283177","2023-05-05","01:09:13","" "1568641","16.0552","0.0008","10.9392","0.0005","6.204","0.0003","90","","90","","90","","1089.61","0.09","122.98","0.1","122.98","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H15 P S -","- C11 H15 P S -","- C44 H60 P4 S4 -","4","1","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0539","0.0514","","","0.1439","0.1467","","","","","","1.108","","","","has coordinates","283177","2023-05-05","01:09:13","" "1568642","12.9259","0.0001","9.9976","0.0001","19.7326","0.0001","90","","94.216","0.001","90","","2543.1","0.03","100.02","0.1","100.02","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 P S -","- C13 H19 P S -","- C104 H152 P8 S8 -","8","4","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0364","0.0358","","","0.1013","0.1018","","","","","","1.027","","","","has coordinates","283177","2023-05-05","01:09:13","" "1568643","11.6774","0.0001","11.6774","0.0001","18.9131","0.0002","90","","90","","90","","2579.02","0.04","100.01","0.12","100.01","0.12","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C8 H18 Cl2 P2 Pt -","- C8 H18 Cl2 P2 Pt -","- C64 H144 Cl16 P16 Pt8 -","8","0.5","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","0.71073","MoKα","","0.02","0.0195","","","0.0495","0.0499","","","","","","1.081","","","","has coordinates,has disorder","283177","2023-05-05","01:09:13","" "1568644","9.724","0.0001","22.5867","0.0001","10.3002","0.0001","90","","106.207","0.001","90","","2172.36","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H57 N2 P3 -","- C51 H57 N2 P3 -","- C102 H114 N4 P6 -","2","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PCylideN pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","","","0.0354","0.0343","","","0.0878","0.0889","","","","","","1.047","","","","has coordinates","283173","2023-05-05","01:07:50","" "1568645","11.5146","0.0002","13.8208","0.0002","16.3726","0.0003","76.35","0.001","86.705","0.001","79.973","0.001","2492.92","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H59 I N2 O P3 Rh -","- C53 H59 I N2 O P3 Rh -","- C106 H118 I2 N4 O2 P6 Rh2 -","2","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PCylideN pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0254","0.0235","","","0.0606","0.0615","","","","","","1.089","","","","has coordinates","283173","2023-05-05","01:07:50","" "1568646","10.7834","0.0002","14.9584","0.0003","19.8288","0.0003","96.372","0.002","103.56","0.001","100.505","0.002","3017.36","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H64 Br2 N2 O P3 Rh -","- C59 H64 Br2 N2 O P3 Rh -","- C118 H128 Br4 N4 O2 P6 Rh2 -","2","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PCylideN pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0862","0.0776","","","0.2247","0.2356","","","","","","1.082","","","","has coordinates,has disorder","283173","2023-05-05","01:07:50","" "1568647","11.62871","0.00011","14.7063","0.00014","22.76166","0.00016","81.2531","0.0007","77.8491","0.0007","73.0988","0.0008","3623.8","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H43 Li N2 O P2 -","- C43 H43 Li N2 O P2 -","- C172 H172 Li4 N8 O4 P8 -","4","2","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PCylideN pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0475","0.0444","","","0.118","0.1206","","","","","","1.027","","","","has coordinates,has disorder","283173","2023-05-05","01:07:50","" "1568648","11.4287","0.0001","25.4664","0.0003","39.3056","0.0007","90","","110.858","0.002","90","","10690.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H61 I N2 O P3 Rh -","- C54 H61 I N2 O P3 Rh -","- C432 H488 I8 N16 O8 P24 Rh8 -","8","2","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PCylideN pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0711","0.0546","","","0.1455","0.1559","","","","","","1.065","","","","has coordinates","283173","2023-05-05","01:07:50","" "1568649","11.6926","0.0001","14.4062","0.0002","16.2053","0.0002","105.002","0.001","95.705","0.001","98.036","0.001","2584.42","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H65 Cl N2 O P3 Rh -","- C55 H65 Cl N2 O P3 Rh -","- C110 H130 Cl2 N4 O2 P6 Rh2 -","2","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PCylideN pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","0.71073","MoKα","","0.0421","0.0319","","","0.0798","0.0844","","","","","","1.035","","","","has coordinates,has disorder","283173","2023-05-05","01:07:50","" "1568650","12.2238","0.0002","33.5168","0.0004","12.3138","0.0001","90","","105.065","0.001","90","","4871.61","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H65 N2 P4 Rh -","- C54 H65 N2 P4 Rh -","- C216 H260 N8 P16 Rh4 -","4","2","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PCylideN pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","0.71073","MoKα","","0.0358","0.032","","","0.0762","0.0778","","","","","","1.063","","","","has coordinates","283173","2023-05-05","01:07:50","" "1568651","13.4359","0.0002","14.5922","0.0002","28.2841","0.0004","83.805","0.001","82.158","0.001","65.89","0.002","5005.91","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H120 N4 O3 P6 Rh2 -","- C108 H120 N4 O3 P6 Rh2 -","- C216 H240 N8 O6 P12 Rh4 -","2","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PCylideN pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0468","0.0443","","","0.1194","0.1216","","","","","","1.023","","","","has coordinates,has disorder","283173","2023-05-05","01:07:50","" "1568652","43.4288","0.0005","43.4288","0.0005","13.10301","0.00016","90","","90","","120","","21402.1","0.4","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C53 H59 I N2 O P3 Rh -","- C53 H59 I N2 O P3 Rh -","- C954 H1062 I18 N36 O18 P54 Rh18 -","18","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PCylideN pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0573","0.0506","","","0.1252","0.1292","","","","","","1.11","","","","has coordinates,has disorder","283173","2023-05-05","01:07:50","" "1568653","17.9895","0.0001","19.0756","0.0001","19.2191","0.0001","89.783","0.001","67.234","0.001","62.295","0.001","5257.42","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C107.5 H118 I2 N4 O2 P6 Rh2 -","- C107.5 H118 I2 N4 O2 P6 Rh2 -","- C215 H236 I4 N8 O4 P12 Rh4 -","2","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PCylideN pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0381","0.0367","","","0.0889","0.0899","","","","","","1.037","","","","has coordinates,has disorder","283173","2023-05-05","01:07:50","" "1568654","6.173","0.004","7.53","0.004","17.45","0.01","99.942","0.015","93.614","0.016","95.649","0.016","792.4","0.8","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H11 F6 N O S -","- C15 H11 F6 N O S -","- C30 H22 F12 N2 O2 S2 -","2","1","","Yang, Yi; Saffon-Merceron, Nathalie; Vantourout, Julien C.; Tlili, Anis","Novel N(SCF3)(CF3)-amines: synthesis, scalability and stability.","Chemical science","2023","14","14","3893","3898","10.1039/d2sc06542h","","","0.71073","MoKα","","0.1681","0.0713","","","0.1597","0.2145","","","","","","1.012","","","","has coordinates,has disorder","283171","2023-05-05","01:06:30","" "1568655","4.0571","0.0002","32.9255","0.0013","42.2251","0.0016","110.788","0.002","91.124","0.002","91.507","0.002","5269","0.4","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","compound 12O-AzNO2-PhO12","","- C40 H59 N O4 -","- C40 H59 N O4 -","- C240 H354 N6 O24 -","6","3","","Schulz, Finn; Lutz, Bettina; Rück, Daniel; Batman, Derman; Frey, Wolfgang; Laschat, Sabine","Tailoring liquid crystalline self-assembly and de Vries behavior of azulenes via lateral and core substitution.","Soft matter","2023","19","13","2397","2406","10.1039/d3sm00205e","","","0.71073","MoKα","","0.1483","0.0883","","","0.1921","0.2094","","","","","","1.033","","","","has coordinates","283513","2023-05-05","03:38:05","" "1568656","63.421","0.005","5.4344","0.0004","22.0542","0.0015","90","","107.341","0.004","90","","7255.6","0.9","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","compound 12O-AzCN-PhS12","","- C41 H59 N O S -","- C41 H59 N O S -","- C328 H472 N8 O8 S8 -","8","1","","Schulz, Finn; Lutz, Bettina; Rück, Daniel; Batman, Derman; Frey, Wolfgang; Laschat, Sabine","Tailoring liquid crystalline self-assembly and de Vries behavior of azulenes via lateral and core substitution.","Soft matter","2023","19","13","2397","2406","10.1039/d3sm00205e","","","1.54178","CuKα","","0.0594","0.0465","","","0.1177","0.1234","","","","","","1.035","","","","has coordinates","283513","2023-05-05","03:38:07","" "1568657","36.366","0.002","14.446","0.0008","6.8454","0.0004","90","","90.421","0.004","90","","3596.1","0.4","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","compound 12S-AzCN-PhO12","","- C41 H59 N O S -","- C41 H59 N O S -","- C164 H236 N4 O4 S4 -","4","1","","Schulz, Finn; Lutz, Bettina; Rück, Daniel; Batman, Derman; Frey, Wolfgang; Laschat, Sabine","Tailoring liquid crystalline self-assembly and de Vries behavior of azulenes via lateral and core substitution.","Soft matter","2023","19","13","2397","2406","10.1039/d3sm00205e","","","0.71073","MoKα","","0.1143","0.0609","","","0.1203","0.1338","","","","","","1.028","","","","has coordinates","283513","2023-05-05","03:38:07","" "1568658","11.338","0.0006","10.7346","0.0005","14.5503","0.001","90","","109.43","0.005","90","","1670.05","0.17","295","1","295","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Meloxicam hydrochloride or 4-Hydroxy-2-methyl-N-(5-methyl-1,3-thiazolium-2-yl)-2H-1,2-\ benzothiazine-3-carboxamide 1,1-dioxide chloride","2-(4-Hydroxy-2-methyl-1,1-dioxo-1,2-benzothiazine-3-amido)-5-methyl-1,3-thiazol-3-ium chloride","","- C14 H14 Cl N3 O4 S2 -","- C14 H14 Cl N3 O4 S2 -","- C56 H56 Cl4 N12 O16 S8 -","4","1","BX4023","Flores Manuel, Fermin; Sosa Rivadeneyra, Martha; Bernès, Sylvain","Meloxicam hydrochloride","IUCrData","2023","8","3","x230202","","10.1107/S241431462300202X","","x-ray","0.56083","AgKα","","0.0721","0.0324","","","0.0652","0.0736","","","","","","0.832","","","","has coordinates","281868","2023-03-14","03:25:59","" "1568659","8.4129","0.0001","22.9217","0.0004","8.6719","0.0001","90","","117.417","0.001","90","","1484.44","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Methyl-2-(methylsulfanyl)-5,5-diphenyl-3,5-dihydro-4H-imidazol-4-one","","- C17 H16 N2 O S -","- C17 H16 N2 O S -","- C68 H64 N8 O4 S4 -","4","1","VM4058","El Moutaouakil Ala Allah, Abderrazzak; Guerrab, Walid; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef","3-Methyl-2-(methylsulfanyl)-5,5-diphenyl-3,5-dihydro-4H-imidazol-4-one","IUCrData","2023","8","3","x230208","","10.1107/S2414314623002080","","","1.54178","CuKα","","0.0322","0.0299","","","0.0783","0.0801","","","","","","1.042","","","","has coordinates","281869","2023-03-14","03:26:28","" "1568660","8.9864","0.0004","15.1402","0.0011","24.1044","0.0011","90","","95.057","0.004","90","","3266.8","0.3","109","3","109","3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C176 H136 N8 O16 -","8","2","","Fan, Rong; Liu, Shihan; Yan, Qiang; Wei, Yun; Wang, Jingwen; Lan, Yu; Tan, Jiajing","Empowering boronic acids as hydroxyl synthons for aryne induced three-component coupling reactions.","Chemical science","2023","14","16","4278","4287","10.1039/d3sc00072a","","x-ray","0.71073","MoKα","","0.0648","0.0465","","","0.092","0.1014","","","","","","1.042","","","","has coordinates","283164","2023-05-05","01:04:36","" "1568661","14.8247","0.0004","11.5912","0.0003","15.542","0.0004","90","","97.987","0.003","90","","2644.77","0.12","112.15","0.1","112.15","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C144 H120 N8 O8 -","8","2","","Fan, Rong; Liu, Shihan; Yan, Qiang; Wei, Yun; Wang, Jingwen; Lan, Yu; Tan, Jiajing","Empowering boronic acids as hydroxyl synthons for aryne induced three-component coupling reactions.","Chemical science","2023","14","16","4278","4287","10.1039/d3sc00072a","","x-ray","0.71073","MoKα","","0.0643","0.0446","","","0.098","0.1104","","","","","","1.032","","","","has coordinates","283164","2023-05-05","01:04:37","" "1568662","11.5164","0.0005","17.905","0.0005","31.034","0.001","77.629","0.002","80.917","0.003","84.108","0.003","6156.5","0.4","169.99","0.11","169.99","0.11","","","","","","","","3","P -1","-P 1","2","","DYX-7","","- C147 H123 Cl9 -","- C147 H123 Cl9 -","- C294 H246 Cl18 -","2","1","","Duan, Yuxiao; Chen, Meng; Hayashi, Hironobu; Yamada, Hiroko; Liu, Xinyue; Zhang, Lei","Buckybowl and its chiral hybrids featuring eight-membered rings and helicene units.","Chemical science","2023","14","38","10420","10428","10.1039/d3sc00658a","","x-ray","1.54184","CuKα","","0.2019","0.1631","","","0.4168","0.444","","","","","","1.536","","","","has coordinates,has disorder","287329","2023-11-06","07:08:39","" "1568663","11.53234","0.00011","17.8477","0.00019","30.031","0.0003","90","","91.5252","0.0009","90","","6178.96","0.11","170","0.1","170","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C84.7 H68.52 -","- C84.698 H68.512 -","- C338.792 H274.048 -","4","1","","Duan, Yuxiao; Chen, Meng; Hayashi, Hironobu; Yamada, Hiroko; Liu, Xinyue; Zhang, Lei","Buckybowl and its chiral hybrids featuring eight-membered rings and helicene units.","Chemical science","2023","14","38","10420","10428","10.1039/d3sc00658a","","","1.54184","CuKα","","0.0647","0.0601","","","0.1527","0.159","","","","","","1.069","","","","has coordinates,has disorder","287329","2023-11-06","07:08:44","" "1568664","31.90908","0.00014","31.90908","0.00014","37.2706","0.00018","90","","90","","120","","32864.4","0.3","169.99","0.12","169.99","0.12","","","","","","","","3","R -3 :H","-R 3","148","","","","- C73 H57 Cl5 -","- C73 H57 Cl5 -","- C1314 H1026 Cl90 -","18","1","","Duan, Yuxiao; Chen, Meng; Hayashi, Hironobu; Yamada, Hiroko; Liu, Xinyue; Zhang, Lei","Buckybowl and its chiral hybrids featuring eight-membered rings and helicene units.","Chemical science","2023","14","38","10420","10428","10.1039/d3sc00658a","","x-ray","1.54184","CuKα","","0.0671","0.0643","","","0.1845","0.1871","","","","","","1.049","","","","has coordinates","287329","2023-11-06","07:08:45","" "1568665","12.6634","0.0006","19.4621","0.0006","22.141","0.0006","101.227","0.002","95.079","0.003","100.078","0.003","5227.1","0.3","169.99","0.1","169.99","0.1","","","","","","","","2","P -1","-P 1","2","","","","- C72 H56 -","- C72 H56 -","- C288 H224 -","4","2","","Duan, Yuxiao; Chen, Meng; Hayashi, Hironobu; Yamada, Hiroko; Liu, Xinyue; Zhang, Lei","Buckybowl and its chiral hybrids featuring eight-membered rings and helicene units.","Chemical science","2023","14","38","10420","10428","10.1039/d3sc00658a","","x-ray","1.54184","CuKα","","0.1265","0.0953","","","0.2567","0.2838","","","","","","1.043","","","","has coordinates,has disorder","287329","2023-11-06","07:08:45","" "1568666","19.4705","0.0002","18.0286","0.0001","26.3919","0.0003","90","","100.346","0.001","90","","9113.61","0.15","172.99","0.1","172.99","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C132 H54 -","- C132 H54 -","- C528 H216 -","4","1","","Duan, Yuxiao; Chen, Meng; Hayashi, Hironobu; Yamada, Hiroko; Liu, Xinyue; Zhang, Lei","Buckybowl and its chiral hybrids featuring eight-membered rings and helicene units.","Chemical science","2023","14","38","10420","10428","10.1039/d3sc00658a","","x-ray","1.54184","CuKα","","0.0914","0.0769","","","0.2206","0.2338","","","","","","1.078","","","","has coordinates","287329","2023-11-06","07:08:45","" "1568667","9.6072","0.0004","10.0198","0.0004","10.2726","0.0004","81.79","0.003","67.85","0.004","63.025","0.004","815.76","0.07","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H52 B2 N2 O4 -","- C32 H52 B2 N2 O4 -","- C32 H52 B2 N2 O4 -","1","0.5","","Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.","Amides as modifiable directing groups in electrophilic borylation.","Chemical science","2023","14","14","3865","3872","10.1039/d2sc06483a","","x-ray","0.71073","MoKα","","0.0514","0.034","","","0.0494","0.0538","","","","","","1.0975","","","","has coordinates","283178","2023-05-05","01:09:42","" "1568668","7.3365","0.0002","12.5616","0.0004","15.3464","0.0004","107.814","0.003","93.035","0.002","97.768","0.002","1327.45","0.07","120.01","0.1","120","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H23 B2 Br4 Cl2 N O -","- C23 H23 B2 Br4 Cl2 N O -","- C46 H46 B4 Br8 Cl4 N2 O2 -","2","1","","Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.","Amides as modifiable directing groups in electrophilic borylation.","Chemical science","2023","14","14","3865","3872","10.1039/d2sc06483a","","","0.71073","MoKα","","0.0444","0.0286","","","0.0551","0.0593","","","","","","1.048","","","","has coordinates,has disorder","283178","2023-05-05","01:09:42","" "1568669","15.7521","0.0004","6.9607","0.0001","12.136","0.0002","90","","90.573","0.002","90","","1330.59","0.04","120.01","0.11","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 B Br2 N -","- C12 H18 B Br2 N -","- C48 H72 B4 Br8 N4 -","4","1","","Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.","Amides as modifiable directing groups in electrophilic borylation.","Chemical science","2023","14","14","3865","3872","10.1039/d2sc06483a","","","0.71073","MoKα","","0.0344","0.0236","","","0.0486","0.0512","","","","","","1.048","","","","has coordinates","283178","2023-05-05","01:09:42","" "1568670","17.5337","0.0011","9.019","0.0003","18.6811","0.0008","90","","117.156","0.006","90","","2628.5","0.3","120.01","0.13","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24.5 H24 B2 Br4 Cl N O -","- C24.5 H24 B2 Br4 Cl N O -","- C98 H96 B8 Br16 Cl4 N4 O4 -","4","1","","Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.","Amides as modifiable directing groups in electrophilic borylation.","Chemical science","2023","14","14","3865","3872","10.1039/d2sc06483a","","","0.71073","MoKα","","0.0913","0.0497","","","0.0987","0.1156","","","","","","1.012","","","","has coordinates,has disorder","283178","2023-05-05","01:09:42","" "1568671","11.9253","0.0005","13.1059","0.0008","16.0617","0.0006","86.088","0.004","72.721","0.003","77.089","0.004","2336.4","0.2","120.1","0.5","120.1","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C25 H27 B Cl3 N O -","- C25 H27 B Cl3 N O -","- C100 H108 B4 Cl12 N4 O4 -","4","2","","Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.","Amides as modifiable directing groups in electrophilic borylation.","Chemical science","2023","14","14","3865","3872","10.1039/d2sc06483a","","x-ray","0.71073","MoKα","","0.08","0.0479","","","0.0953","0.1004","","","","","","0.961","","","","has coordinates","283178","2023-05-05","01:09:42","" "1568672","9.8358","0.0001","11.6082","0.0001","22.5888","0.0002","90","","90","","90","","2579.1","0.04","119.99","0.17","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 B2 Br2 N O -","- C30 H31 B2 Br2 N O -","- C120 H124 B8 Br8 N4 O4 -","4","1","","Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.","Amides as modifiable directing groups in electrophilic borylation.","Chemical science","2023","14","14","3865","3872","10.1039/d2sc06483a","","","0.71073","MoKα","","0.0312","0.0257","","","0.0559","0.0578","","","","","","1.051","","","","has coordinates","283178","2023-05-05","01:09:42","" "1568673","7.75558","0.0001","9.02843","0.0001","15.5656","0.0002","90","","90","","90","","1089.91","0.02","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1S,2S)-2-[(S)-2,2,2-Trifluoro-1-hydroxyethyl]-1-tetralol","(1S,2S)-2-[(S)-2,2,2-Trifluoro-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-ol","","- C12 H13 F3 O2 -","- C12 H13 F3 O2 -","- C48 H52 F12 O8 -","4","1","TK4089","Radan, Kristian; Cotman, Andrej Emanuel; Lozinšek, Matic","(1S,2S)-2-[(S)-2,2,2-Trifluoro-1-hydroxyethyl]-1-tetralol","IUCrData","2023","8","3","x230217","","10.1107/S2414314623002171","","x-ray","1.54184","CuKα","","0.0291","0.0288","","","0.0725","0.0727","","","","","","1.064","","","","has coordinates","281914","2023-03-16","03:37:12","" "1568674","8.4703","0.0002","13.2994","0.0003","24.425","0.0007","90","","90","","90","","2751.47","0.12","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 N4 Si -","- C29 H38 N4 Si -","- C116 H152 N16 Si4 -","4","1","","Xu, Qingshuang; Zhang, Yutao; Zhu, Mingming; Yan, Chenxu; Mao, Wenle; Zhu, Wei-Hong; Guo, Zhiqian","Bent-to-planar Si-rhodamines: a distinct rehybridization lights up NIR-II fluorescence for tracking nitric oxide in the Alzheimer's disease brain.","Chemical science","2023","14","15","4091","4101","10.1039/d3sc00193h","","","0.71073","MoKα","","0.0566","0.0476","","","0.1161","0.1237","","","","","","1.048","","","","has coordinates","283186","2023-05-05","01:12:09","" "1568675","10.8497","0.0008","15.4899","0.0012","20.3611","0.0014","90","","97.135","0.002","90","","3395.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Cl3 N3 O Si -","- C30 H44 Cl3 N3 O Si -","- C120 H176 Cl12 N12 O4 Si4 -","4","1","","Xu, Qingshuang; Zhang, Yutao; Zhu, Mingming; Yan, Chenxu; Mao, Wenle; Zhu, Wei-Hong; Guo, Zhiqian","Bent-to-planar Si-rhodamines: a distinct rehybridization lights up NIR-II fluorescence for tracking nitric oxide in the Alzheimer's disease brain.","Chemical science","2023","14","15","4091","4101","10.1039/d3sc00193h","","","0.71073","MoKα","","0.1143","0.0718","","","0.1771","0.2144","","","","","","1.034","","","","has coordinates,has disorder","283186","2023-05-05","01:12:09","" "1568676","22.2241","0.0009","9.0072","0.0003","30.4536","0.0011","90","","90","","90","","6096.1","0.4","272","2","272","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H36 Cl6 N2 Si -","- C25 H36 Cl6 N2 Si -","- C200 H288 Cl48 N16 Si8 -","8","1","","Xu, Qingshuang; Zhang, Yutao; Zhu, Mingming; Yan, Chenxu; Mao, Wenle; Zhu, Wei-Hong; Guo, Zhiqian","Bent-to-planar Si-rhodamines: a distinct rehybridization lights up NIR-II fluorescence for tracking nitric oxide in the Alzheimer's disease brain.","Chemical science","2023","14","15","4091","4101","10.1039/d3sc00193h","","","1.54178","CuKα","","0.0912","0.0568","","","0.1454","0.1648","","","","","","1.05","","","","has coordinates,has disorder","283186","2023-05-05","01:12:09","" "1568680","18.1535","0.0009","11.2621","0.0005","20.3773","0.001","90","","90","","90","","4166.1","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 N O P -","- C26 H24 N O P -","- C208 H192 N8 O8 P8 -","8","1","","Yang, Qingjing; Zhou, Jian; Wang, Jun Joelle","Enantioselective copper-catalyzed hydrophosphination of alkenyl isoquinolines.","Chemical science","2023","14","16","4413","4417","10.1039/d2sc06950d","","x-ray","0.71073","MoKα","","0.064","0.0414","","","0.0988","0.1101","","","","","","1.025","","","","has coordinates","283167","2023-05-05","01:05:37","" "1568681","22.579","0.008","22.754","0.008","24.113","0.008","108.799","0.005","106.39","0.005","104.441","0.005","10431","6","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C326 H425 Br3 Cu24 N10 O90 -","- C322 H284 Br3 Cu24 N10 O90 -","- C322 H284 Br3 Cu24 N10 O90 -","1","0.5","","Hu, Xiangquan; Han, Meirong; Wang, Leicheng; Shao, Li; Peeyush, Yadav; Du, Jialei; Kelley, Steven P.; Dalgarno, Scott J.; Atwood, David A.; Feng, Sisi; Atwood, Jerry L.","A copper-seamed coordination nanocapsule as a semiconductor photocatalyst for molecular oxygen activation.","Chemical science","2023","14","17","4532","4537","10.1039/d3sc00318c","","","0.71073","MoKα","","0.2263","0.1196","","","0.3193","0.3859","","","","","","1.132","","","","has coordinates,has disorder","284206","2023-06-05","03:53:10","" "1568682","18.0163","0.0003","17.0386","0.0003","22.7773","0.0004","90","","106.062","0.002","90","","6719.1","0.2","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H108 N2 O Y -","- C76 H108 N2 O Y -","- C304 H432 N8 O4 Y4 -","4","0.5","","Jena, Rashmi; Benner, Florian; Delano, 4th, Francis; Holmes, Daniel; McCracken, John; Demir, Selvan; Odom, Aaron L.","A rare isocyanide derived from an unprecedented neutral yttrium(ii) bis(amide) complex.","Chemical science","2023","14","16","4257","4264","10.1039/d3sc00171g","","x-ray","1.54184","CuKα","","0.0446","0.0417","","","0.113","0.115","","","","","","1.033","","","","has coordinates,has disorder","283168","2023-05-05","01:05:54","" "1568683","13.82162","0.00015","28.6809","0.0003","17.115","0.0002","90","","106.366","0.0013","90","","6509.78","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C73 H100 N3 Y -","- C73 H100 N3 Y -","- C292 H400 N12 Y4 -","4","1","","Jena, Rashmi; Benner, Florian; Delano, 4th, Francis; Holmes, Daniel; McCracken, John; Demir, Selvan; Odom, Aaron L.","A rare isocyanide derived from an unprecedented neutral yttrium(ii) bis(amide) complex.","Chemical science","2023","14","16","4257","4264","10.1039/d3sc00171g","","","1.54184","CuKα","","0.0508","0.0411","","","0.091","0.0951","","","","","","1.035","","","","has coordinates","283168","2023-05-05","01:05:55","" "1568684","39.603","0.0005","16.4949","0.0002","25.0473","0.0003","90","","91.017","0.001","90","","16359.5","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H125 Cl N2 Y -","- C84 H125 Cl N2 Y -","- C672 H1000 Cl8 N16 Y8 -","8","1","","Jena, Rashmi; Benner, Florian; Delano, 4th, Francis; Holmes, Daniel; McCracken, John; Demir, Selvan; Odom, Aaron L.","A rare isocyanide derived from an unprecedented neutral yttrium(ii) bis(amide) complex.","Chemical science","2023","14","16","4257","4264","10.1039/d3sc00171g","","x-ray","1.54178","CuKα","","0.0765","0.0598","","","0.1564","0.1727","","","","","","1.032","","","","has coordinates,has disorder","283168","2023-05-05","01:05:55","" "1568685","5.17882","0.00011","9.5846","0.0002","23.5161","0.0006","90","","90","","90","","1167.27","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2S-azido 3S-Boc-amino butyrolactone","tert-butyl (4-azido-5-oxotetrahydrofuran-3-yl)carbamate","","- C9 H14 N4 O4 -","- C9 H14 N4 O4 -","- C36 H56 N16 O16 -","4","1","","Lichstrahl, Michael S.; Kahlert, Lukas; Li, Rongfeng; Zandi, Trevor A.; Yang, Jerry; Townsend, Craig A.","Synthesis of functionalized 2,3-diaminopropionates and their potential for directed monobactam biosynthesis.","Chemical science","2023","14","14","3923","3931","10.1039/d2sc06893a","","","1.54178","CuKα","","0.0296","0.0288","","","0.077","0.0782","","","","","","1.041","","","","has coordinates,has disorder","283176","2023-05-05","01:08:46","" "1568686","12.7225","0.0008","15.8452","0.001","18.7186","0.0013","104.805","0.006","97.924","0.005","96.664","0.005","3568","0.4","100.03","0.16","100.03","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C76.46 H92.69 Cl N7.23 O11 -","- C76.458 H92.687 Cl N7.229 O11 -","- C152.916 H185.374 Cl2 N14.458 O22 -","2","1","","Wang, Hu; Jones, Leighton O.; Zhao, Tian; Hwang, Inhong; Lynch, Vincent M.; Khashab, Niveen M.; Schatz, George C.; Page, Zachariah A.; Sessler, Jonathan L.","Fluorescent copolymer aggregate sensor for lithium chloride.","Chemical science","2023","14","15","4120","4125","10.1039/d2sc05342j","","x-ray","1.54184","CuKα","","0.0846","0.0589","","","0.1769","0.1919","","","","","","1.042","","","","has coordinates,has disorder","283185","2023-05-05","01:11:50","" "1568687","14.2116","0.0014","19.3311","0.0019","9.9202","0.0009","90","","90","","90","","2725.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27.5 H35 N O2 Si -","- C27.5 H35 N O2 Si -","- C110 H140 N4 O8 Si4 -","4","1","","Lee, Donghyeon; Shintani, Ryo","Palladium-catalyzed synthesis of 4-sila-4H-benzo[d][1,3]oxazines by intramolecular Hiyama coupling.","Chemical science","2023","14","15","4114","4119","10.1039/d2sc06425a","","","0.71075","MoKα","","0.0722","0.0542","","","0.1481","0.1602","","","","","","1.025","","","","has coordinates","283182","2023-05-05","01:10:54","" "1568688","9.521","0.003","12.367","0.003","11.509","0.003","90","","112.719","0.006","90","","1250","0.6","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H29 N O2 Si -","- C30 H29 N O2 Si -","- C60 H58 N2 O4 Si2 -","2","1","","Lee, Donghyeon; Shintani, Ryo","Palladium-catalyzed synthesis of 4-sila-4H-benzo[d][1,3]oxazines by intramolecular Hiyama coupling.","Chemical science","2023","14","15","4114","4119","10.1039/d2sc06425a","","","0.71075","MoKα","","0.082","0.0598","","","0.1253","0.1305","","","","","","0.908","","","","has coordinates","283182","2023-05-05","01:10:55","" "1568689","9.572","0.003","12.507","0.005","17.419","0.006","108.613","0.001","90.26","0.007","92.416","0.001","1974.2","1.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H26 F N O2 Si -","- C21 H26 F N O2 Si -","- C84 H104 F4 N4 O8 Si4 -","4","2","","Lee, Donghyeon; Shintani, Ryo","Palladium-catalyzed synthesis of 4-sila-4H-benzo[d][1,3]oxazines by intramolecular Hiyama coupling.","Chemical science","2023","14","15","4114","4119","10.1039/d2sc06425a","","","0.71075","MoKα","","0.1466","0.0828","","","0.2023","0.2222","","","","","","1.045","","","","has coordinates,has disorder","283182","2023-05-05","01:10:55","" "1568690","9.145","0.002","19.109","0.005","15.052","0.004","90","","98.006","0.006","90","","2604.7","1.1","113","2","113","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H28 F3 N O4 S Si -","- C26 H28 F3 N O4 S Si -","- C104 H112 F12 N4 O16 S4 Si4 -","4","2","","Lee, Donghyeon; Shintani, Ryo","Palladium-catalyzed synthesis of 4-sila-4H-benzo[d][1,3]oxazines by intramolecular Hiyama coupling.","Chemical science","2023","14","15","4114","4119","10.1039/d2sc06425a","","","0.71075","MoKα","","0.0645","0.0493","","","0.1167","0.1225","","","","","","0.989","","","","has coordinates","283182","2023-05-05","01:10:55","" "1568691","12.8073","0.0011","12.8073","0.0011","11.5663","0.0014","90","","90","","120","","1643","0.3","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","C30H30Cl6GdTi3","","- C30 H30 Cl6 Gd Ti3 -","- C30 H30 Cl6 Gd Ti3 -","- C60 H60 Cl12 Gd2 Ti6 -","2","0.166667","","Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.","Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl6(TiCp2)3].","Chemical science","2023","14","16","4302","4307","10.1039/d2sc06263a","","x-ray","0.71073","MoKα","","0.0425","0.0356","","","0.0827","0.0889","","","","","","1.14","","","","has coordinates,has disorder","283166","2023-05-05","01:05:22","" "1568692","12.7237","0.0004","12.7237","0.0004","11.3427","0.0005","90","","90","","120","","1590.28","0.1","100.15","","100.15","","","","","","","","","5","P 63/m","-P 6c","176","","C30H30Cl6TbCl3","","- C30 H30 Cl6 Tb Ti3 -","- C30 H30 Cl6 Tb Ti3 -","- C60 H60 Cl12 Tb2 Ti6 -","2","0.166667","","Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.","Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl6(TiCp2)3].","Chemical science","2023","14","16","4302","4307","10.1039/d2sc06263a","","x-ray","0.71073","MoKα","","0.0317","0.0311","","","0.0776","0.0782","","","","","","1.042","","","","has coordinates,has disorder","283166","2023-05-05","01:05:23","" "1568693","12.7944","0.0003","21.4986","0.0005","12.9783","0.0003","90","","114.454","0.001","90","","3249.6","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","C30H30Cl6GdTi3","","- C30 H30 Cl6 Gd Ti3 -","- C30 H30 Cl6 Gd Ti3 -","- C120 H120 Cl24 Gd4 Ti12 -","4","1","","Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.","Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl6(TiCp2)3].","Chemical science","2023","14","16","4302","4307","10.1039/d2sc06263a","","x-ray","0.71073","MoKα","","0.0234","0.0232","","","0.0584","0.0586","","","","","","1.117","","","","has coordinates,has disorder","283166","2023-05-05","01:05:23","" "1568694","12.8107","0.0018","12.8107","0.0018","11.571","0.002","90","","90","","120","","1644.6","0.4","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","C30H30Cl6Ti3Tb","","- C30 H30 Cl6 Tb Ti3 -","- C30 H30 Cl6 Tb Ti3 -","- C60 H60 Cl12 Tb2 Ti6 -","2","0.166667","","Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.","Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl6(TiCp2)3].","Chemical science","2023","14","16","4302","4307","10.1039/d2sc06263a","","x-ray","0.71073","MoKα","","0.0413","0.0338","","","0.083","0.09","","","","","","1.103","","","","has coordinates,has disorder","283166","2023-05-05","01:05:23","" "1568695","12.7286","0.0004","12.7286","0.0004","11.3424","0.0005","90","","90","","120","","1591.46","0.1","100","","100","","","","","","","","","5","P 63/m","-P 6c","176","","C30H30Cl6GdTi3","","- C30 H30 Cl6 Gd Ti3 -","- C30 H30 Cl6 Gd Ti3 -","- C60 H60 Cl12 Gd2 Ti6 -","2","0.166667","","Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.","Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl6(TiCp2)3].","Chemical science","2023","14","16","4302","4307","10.1039/d2sc06263a","","x-ray","0.71073","MoKα","","0.0326","0.0305","","","0.0735","0.0742","","","","","","1.037","","","","has coordinates,has disorder","283166","2023-05-05","01:05:23","" "1568696","12.7966","0.0008","21.465","0.0013","12.975","0.0007","90","","114.419","0.002","90","","3245.2","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","C30H30Cl6TbTi3","","- C30 H30 Cl6 Tb Ti3 -","- C30 H30 Cl6 Tb Ti3 -","- C120 H120 Cl24 Tb4 Ti12 -","4","1","","Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.","Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl6(TiCp2)3].","Chemical science","2023","14","16","4302","4307","10.1039/d2sc06263a","","x-ray","0.71073","MoKα","","0.0384","0.036","","","0.0929","0.095","","","","","","1.052","","","","has coordinates","283166","2023-05-05","01:05:23","" "1568697","8.2666","0.0003","5.6858","0.0002","15.5021","0.0007","90","","91.087","0.004","90","","728.5","0.05","296","","296","","","","","","","","","3","P 1 n 1","P -2yac","7","APHTZ","5-(4-aminophenyl)-1H-tetrazole","","- C7 H7 N5 -","- C7 H7 N5 -","- C28 H28 N20 -","4","2","","Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji","Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.","Materials horizons","2023","10","6","2149","2159","10.1039/d2mh01530g","","","0.71075","MoKα","","0.0434","0.0328","","","0.0807","0.0851","","","","","","1.038","","","","has coordinates","284983","2023-07-05","11:06:13","" "1568698","8.0914","0.0018","5.9622","0.0013","14.789","0.004","90","","92.037","0.005","90","","713","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","FPHTZ","5-(4-fluorophenyl)-1H-tetrazole","","- C7 H5 F N4 -","- C7 H5 F N4 -","- C28 H20 F4 N16 -","4","1","","Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji","Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.","Materials horizons","2023","10","6","2149","2159","10.1039/d2mh01530g","","","0.71075","MoKα","","0.0411","0.0376","","","0.1043","0.1082","","","","","","1.069","","","","has coordinates","284983","2023-07-05","11:06:14","" "1568699","9.457","0.003","11.427","0.003","7.298","0.002","90","","107.987","0.006","90","","750.1","0.4","295","","295","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","CPHTZ","5-(4-chlorophenyl)-1H-tetrazole","","- C7 H5 Cl N4 -","- C7 H5 Cl N4 -","- C28 H20 Cl4 N16 -","4","1","","Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji","Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.","Materials horizons","2023","10","6","2149","2159","10.1039/d2mh01530g","","","0.71075","MoKα","","0.0447","0.0399","","","0.1119","0.1168","","","","","","1.074","","","","has coordinates","284983","2023-07-05","11:06:14","" "1568700","9.7712","0.0005","9.0593","0.0004","17.7198","0.001","90","","90","","90","","1568.56","0.14","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","MPHTZ","5-p-tolyl-1H-tetrazole","","- C8 H8 N4 -","- C8 H8 N4 -","- C64 H64 N32 -","8","1","","Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji","Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.","Materials horizons","2023","10","6","2149","2159","10.1039/d2mh01530g","","","0.71073","MoKα","","0.0524","0.0411","","","0.1334","0.1413","","","","","","1.092","","","","has coordinates","284983","2023-07-05","11:06:14","" "1568701","4.0674","0.0003","16.0311","0.0008","10.1239","0.0005","90","","90","","90","","660.13","0.07","296","","296","","","","","","","","","4","P b c m","-P 2c 2b","57","DM-BIM","2-Bromo-4,5-dimethyl-1H-imidazole","","- C5 H7 Br N2 -","- C5 H7 Br N2 -","- C20 H28 Br4 N8 -","4","0.5","","Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji","Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.","Materials horizons","2023","10","6","2149","2159","10.1039/d2mh01530g","","","0.71075","MoKα","","0.0382","0.0272","","","0.0716","0.0753","","","","","","1.073","","","","has coordinates","284983","2023-07-05","11:06:14","" "1568702","10.3316","0.0019","9.7732","0.0016","9.7411","0.0018","90","","116.898","0.003","90","","877.2","0.3","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TFPHTZ","5-(4-trifluoromethylphenyl)-1H-tetrazole","","- C8 H5 F3 N4 -","- C8 H5 F3 N4 -","- C32 H20 F12 N16 -","4","1","","Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji","Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.","Materials horizons","2023","10","6","2149","2159","10.1039/d2mh01530g","","","0.71075","MoKα","","0.0487","0.0452","","","0.1277","0.132","","","","","","1.062","","","","has coordinates","284983","2023-07-05","11:06:14","" "1568703","9.8121","0.0007","15.2562","0.0014","4.5459","0.0004","90","","90","","90","","680.5","0.1","296","","296","","","","","","","","","3","A m a 2","A 2 -2a","40","PHTZ","5-phenyl-1H-tetrazole","","- C7 H6 N4 -","- C7 H6 N4 -","- C28 H24 N16 -","4","0.5","","Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji","Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.","Materials horizons","2023","10","6","2149","2159","10.1039/d2mh01530g","","","0.71075","MoKα","","0.0354","0.0297","","","0.0709","0.0732","","","","","","1.049","","","","has coordinates","284983","2023-07-05","11:06:14","" "1568704","9.4276","0.0015","15.165","0.002","14.397","0.002","90","","98.778","0.008","90","","2034.2","0.5","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cl2 Mn N4 -","- C24 H16 Cl2 Mn N4 -","- C96 H64 Cl8 Mn4 N16 -","4","1","","Cai, Linxiang; Wang, Ying; Chen, Yayu; Chen, Hanhua; Yang, Tao; Zhang, Shuren; Guo, Zijian; Wang, Xiaoyong","Manganese(ii) complexes stimulate antitumor immunity via aggravating DNA damage and activating the cGAS-STING pathway.","Chemical science","2023","14","16","4375","4389","10.1039/d2sc06036a","","","1.34139","GaKα","","0.0932","0.0662","","","0.1771","0.2172","","","","","","1.037","","","","has coordinates","283165","2023-05-05","01:04:50","" "1568705","19.3515","0.0014","10.4522","0.0008","11.307","0.0009","90","","90","","90","","2287","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H18 Cl4 N4 Ni O2 -","- C21 H18 Cl4 N4 Ni O2 -","- C84 H72 Cl16 N16 Ni4 O8 -","4","1","","Bansal, Sadhna; Gonnade, Rajesh G.; Punji, Benudhar","Chemodivergent coupling of azoarenes with benzyl alcohols via a borrowing hydrogen strategy using a well-defined nickel catalyst","Catalysis Science & Technology","2023","13","9","2705","2713","10.1039/D3CY00090G","","","0.71073","MoKα","","0.0296","0.0246","","","0.0575","0.061","","","","","","1.071","","","","has coordinates","284161","2023-06-05","03:21:05","" "1568706","10.1118","0.0012","10.1118","0.0012","18.832","0.003","90","","90","","120","","1667.6","0.4","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- C24 H24 Fe N2 O6 -","- C24 H24 Fe N2 O6 -","- C72 H72 Fe3 N6 O18 -","3","1","","Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J.","Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains.","Chemical science","2023","14","15","4083","4090","10.1039/d2sc06392a","","x-ray","0.71073","MoKα","","0.1232","0.0609","","","0.0892","0.1075","","","","","","1.009","","","","has coordinates","283184","2023-05-05","01:11:20","" "1568707","18.2429","0.0014","18.2429","0.0014","7.8233","0.0007","90","","90","","120","","2254.8","0.3","250","2","250","2","","","","","","","","5","P -3","-P 3","147","","","","- C26 H28 Fe N2 O6 -","- C26 H28 Fe N2 O6 -","- C78 H84 Fe3 N6 O18 -","3","0.5","","Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J.","Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains.","Chemical science","2023","14","15","4083","4090","10.1039/d2sc06392a","","x-ray","0.71073","MoKα","","0.0933","0.0504","","","0.1213","0.1384","","","","","","1.04","","","","has coordinates,has disorder","283184","2023-05-05","01:11:30","" "1568708","7.9614","0.0008","12.0601","0.0012","13.2291","0.0013","90.645","0.004","93.67","0.003","90.906","0.004","1267.3","0.2","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Fe N2 O6 -","- C26 H28 Fe N2 O6 -","- C52 H56 Fe2 N4 O12 -","2","1","","Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J.","Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains.","Chemical science","2023","14","15","4083","4090","10.1039/d2sc06392a","","x-ray","0.7288","synchrotron","","0.0403","0.0326","","","0.0871","0.0914","","","","","","1.057","","","","has coordinates","283184","2023-05-05","01:11:30","" "1568709","18.092","0.001","18.092","0.001","7.801","0.0004","90","","90","","120","","2211.3","0.2","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C26 H28 Fe N2 O6 -","- C26 H28 Fe N2 O6 -","- C78 H84 Fe3 N6 O18 -","3","0.5","","Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J.","Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains.","Chemical science","2023","14","15","4083","4090","10.1039/d2sc06392a","","x-ray","0.71073","MoKα","","0.0765","0.0525","","","0.1132","0.1232","","","","","","1.037","","","","has coordinates,has disorder","283184","2023-05-05","01:11:30","" "1568710","10.248","0.002","10.248","0.002","19.033","0.004","90","","90","","120","","1731.1","0.6","250","2","250","2","","","","","","","","5","P 31","P 31","144","","","","- C24 H24 Fe N2 O6 -","- C24 H24 Fe N2 O6 -","- C72 H72 Fe3 N6 O18 -","3","1","","Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J.","Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains.","Chemical science","2023","14","15","4083","4090","10.1039/d2sc06392a","","x-ray","0.71073","MoKα","","0.1867","0.0707","","","0.1051","0.1394","","","","","","1.012","","","","has coordinates","283184","2023-05-05","01:11:30","" "1568711","12.4528","0.0003","9.0066","0.0003","20.1003","0.0006","90","","90.462","0.002","90","","2254.32","0.11","90","0.3","90","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 B N2 -","- C27 H31 B N2 -","- C108 H124 B4 N8 -","4","1","","Ding, Huangting; Sun, Yitong; Tang, Meng; Wen, Jingyi; Yue, Shiwen; Peng, Ye; Li, Fei; Zheng, Liyan; Wang, Suning; Shi, Yonggang; Cao, Qiue","Time-dependent photo-activated aminoborane room-temperature phosphorescence materials with unprecedented properties: simple, versatile, multicolor-tuneable, water resistance, optical information writing/erasing, and multilevel data encryption.","Chemical science","2023","14","17","4633","4640","10.1039/d3sc00568b","","x-ray","0.71073","MoKα","","0.0567","0.0445","","","0.1127","0.1194","","","","","","1.097","","","","has coordinates","284208","2023-06-05","03:54:13","" "1568712","12.1599","0.0003","8.1094","0.0003","23.5966","0.0007","90","","101.497","0.003","90","","2280.16","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 B N O -","- C27 H34 B N O -","- C108 H136 B4 N4 O4 -","4","1","","Ding, Huangting; Sun, Yitong; Tang, Meng; Wen, Jingyi; Yue, Shiwen; Peng, Ye; Li, Fei; Zheng, Liyan; Wang, Suning; Shi, Yonggang; Cao, Qiue","Time-dependent photo-activated aminoborane room-temperature phosphorescence materials with unprecedented properties: simple, versatile, multicolor-tuneable, water resistance, optical information writing/erasing, and multilevel data encryption.","Chemical science","2023","14","17","4633","4640","10.1039/d3sc00568b","","x-ray","0.71073","MoKα","","0.0592","0.0469","","","0.1203","0.1274","","","","","","1.072","","","","has coordinates","284208","2023-06-05","03:54:13","" "1568713","8.1627","0.0002","22.1971","0.0006","12.637","0.0004","90","","90.613","0.002","90","","2289.55","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 B N O -","- C27 H34 B N O -","- C108 H136 B4 N4 O4 -","4","1","","Ding, Huangting; Sun, Yitong; Tang, Meng; Wen, Jingyi; Yue, Shiwen; Peng, Ye; Li, Fei; Zheng, Liyan; Wang, Suning; Shi, Yonggang; Cao, Qiue","Time-dependent photo-activated aminoborane room-temperature phosphorescence materials with unprecedented properties: simple, versatile, multicolor-tuneable, water resistance, optical information writing/erasing, and multilevel data encryption.","Chemical science","2023","14","17","4633","4640","10.1039/d3sc00568b","","x-ray","0.71073","MoKα","","0.0564","0.0443","","","0.1143","0.1213","","","","","","1.066","","","","has coordinates","284208","2023-06-05","03:54:13","" "1568714","9.551","0.0002","11.2401","0.0004","13.605","0.0003","75.998","0.002","84.321","0.002","80.055","0.002","1393.36","0.07","100","0.6","100","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C37 H36 B N -","- C37 H36 B N -","- C74 H72 B2 N2 -","2","1","","Ding, Huangting; Sun, Yitong; Tang, Meng; Wen, Jingyi; Yue, Shiwen; Peng, Ye; Li, Fei; Zheng, Liyan; Wang, Suning; Shi, Yonggang; Cao, Qiue","Time-dependent photo-activated aminoborane room-temperature phosphorescence materials with unprecedented properties: simple, versatile, multicolor-tuneable, water resistance, optical information writing/erasing, and multilevel data encryption.","Chemical science","2023","14","17","4633","4640","10.1039/d3sc00568b","","x-ray","0.71073","MoKα","","0.0578","0.0462","","","0.1184","0.1247","","","","","","1.101","","","","has coordinates","284208","2023-06-05","03:54:13","" "1568715","8.5734","0.0003","14.764","0.0005","15.258","0.0006","68.839","0.004","87.111","0.003","78.724","0.003","1765.9","0.12","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H41 B Cl3 D N2 -","- C40 H41 B Cl3 D N2 -","- C80 H82 B2 Cl6 D2 N4 -","2","1","","Ding, Huangting; Sun, Yitong; Tang, Meng; Wen, Jingyi; Yue, Shiwen; Peng, Ye; Li, Fei; Zheng, Liyan; Wang, Suning; Shi, Yonggang; Cao, Qiue","Time-dependent photo-activated aminoborane room-temperature phosphorescence materials with unprecedented properties: simple, versatile, multicolor-tuneable, water resistance, optical information writing/erasing, and multilevel data encryption.","Chemical science","2023","14","17","4633","4640","10.1039/d3sc00568b","","","0.71073","MoKα","","0.1305","0.1117","","","0.3332","0.3422","","","","","","1.077","","","","has coordinates","284208","2023-06-05","03:54:13","" "1568716","11.6462","0.0005","8.726","0.0004","16.7421","0.0008","90","","108.62","0.002","90","","1612.35","0.13","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H34 P2 Si -","- C40 H34 P2 Si -","- C80 H68 P4 Si2 -","2","1","","Hou, Fei; Liu, Minjie; Ru, Tong; Tan, Zequn; Ning, Yingtang; Chen, Fen-Er","Chiral spirosiladiphosphines: ligand development and applications in Rh-catalyzed asymmetric hydrosilylation/cyclization of 1,6-enynes with enhanced reactivity.","Chemical science","2023","14","17","4641","4646","10.1039/d2sc06349b","","","1.34139","GaKα","","0.0355","0.0316","","","0.0751","0.0778","","","","","","1.035","","","","has coordinates","284209","2023-06-05","03:54:36","" "1568717","9.9943","0.0014","20.42","0.003","20.447","0.003","90","","90","","90","","4172.9","1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H38 Cl6 P2 Pd Si -","- C42 H38 Cl6 P2 Pd Si -","- C168 H152 Cl24 P8 Pd4 Si4 -","4","1","","Hou, Fei; Liu, Minjie; Ru, Tong; Tan, Zequn; Ning, Yingtang; Chen, Fen-Er","Chiral spirosiladiphosphines: ligand development and applications in Rh-catalyzed asymmetric hydrosilylation/cyclization of 1,6-enynes with enhanced reactivity.","Chemical science","2023","14","17","4641","4646","10.1039/d2sc06349b","","","1.34139","GaKα","","0.0251","0.0238","","","0.0522","0.0528","","","","","","1.054","","","","has coordinates","284209","2023-06-05","03:54:38","" "1568718","13.7107","0.0002","16.2983","0.0003","21.2715","0.0003","94.494","0.001","95.456","0.001","112.361","0.002","4342.02","0.14","99.99","0.1","99.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C104 H84 O8 -","- C104 H84 O8 -","- C208 H168 O16 -","2","1","","He, Jing; Yu, Mo-Han; Lian, Zhe; Fan, Yan-Qing; Guo, Sheng-Zhu; Li, Xiao-Nan; Wang, Ying; Wang, Wen-Guang; Cheng, Zhi-Yun; Jiang, Hua","Lemniscular carbon nanohoops with contiguous conjugation from planar chiral [2.2]paracyclophane: influence of the regioselective synthesis on topological chirality.","Chemical science","2023","14","16","4426","4433","10.1039/d2sc06825g","","x-ray","1.54184","CuKα","","0.1037","0.0913","","","0.22","0.2275","","","","","","1.104","","","","has coordinates","283163","2023-05-05","01:04:25","" "1568719","15.8108","0.001","27.4612","0.0019","18.3586","0.0011","90","","104.885","0.007","90","","7703.5","0.9","100","0.1","100","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C99 H60 -","- C96 H60 -","- C384 H240 -","4","1","","He, Jing; Yu, Mo-Han; Lian, Zhe; Fan, Yan-Qing; Guo, Sheng-Zhu; Li, Xiao-Nan; Wang, Ying; Wang, Wen-Guang; Cheng, Zhi-Yun; Jiang, Hua","Lemniscular carbon nanohoops with contiguous conjugation from planar chiral [2.2]paracyclophane: influence of the regioselective synthesis on topological chirality.","Chemical science","2023","14","16","4426","4433","10.1039/d2sc06825g","","x-ray","1.54184","CuKα","","0.1494","0.0874","","","0.2233","0.2625","","","","","","0.925","","","","has coordinates","283163","2023-05-05","01:04:26","" "1568720","6.94728","0.00004","13.79687","0.00007","22.55057","0.00013","90","","90","","90","","2161.49","0.02","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O2 -","- C27 H26 N2 O2 -","- C108 H104 N8 O8 -","4","1","","Zhu, Bing-Ke; Xu, Hui; Xiao, Lu; Chang, Xin; Wei, Liang; Teng, Huailong; Dang, Yanfeng; Dong, Xiu-Qin; Wang, Chun-Jiang","Enantio- and diastereodivergent synthesis of fused indolizines enabled by synergistic Cu/Ir catalysis.","Chemical science","2023","14","15","4134","4142","10.1039/d3sc00118k","","x-ray","1.54184","CuKα","","0.0268","0.0263","","","0.0668","0.0673","","","","","","1.03","","","","has coordinates","283180","2023-05-05","01:10:17","" "1568721","14.2806","0.0003","18.2744","0.0006","22.8464","0.0006","80.353","0.003","75.399","0.002","80.671","0.002","5643","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C109.83 H87.66 Au6 Cl3.66 F12 P8 Sb2 -","- C109.831 H87.662 Au6 Cl3.662 F12 P8 Sb2 -","- C219.662 H175.324 Au12 Cl7.324 F24 P16 Sb4 -","2","1","","Singh, Kundan K.; Bhattacharyya, Ayan; Havenridge, Shana; Ghabin, Mohamed; Ausmann, Hagan; Siegler, Maxime A.; Aikens, Christine M.; Das, Anindita","A first glance into mixed phosphine-stibine moieties as protecting ligands for gold clusters.","Nanoscale","2023","15","15","6934","6940","10.1039/d2nr05497c","","","0.71073","MoKα","","0.0536","0.0379","","","0.0912","0.1","","","","","","1.021","","","","has coordinates,has disorder","283371","2023-05-05","02:50:49","" "1568722","14.62","0.003","14.79","0.003","18.86","0.004","70.46","0.03","74.2","0.03","71.85","0.03","3587.1","1.5","100","","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H45 F28 N13 O4 -","- C70 H45 F28 N13 O4 -","- C140 H90 F56 N26 O8 -","2","1","","Taylor, Chloe M.; Breadmore, Michael; Kilah, Nathan Laird","Colorimetric Determination of Perfluorocarboxylic Acids using Porphyrin Hosts and Mobile Phone Photographs","Sensors & Diagnostics","2023","","","","","10.1039/D3SD00035D","","x-ray","0.71073","Synchrotron","","0.0587","0.0467","","","0.1274","0.1379","","","","","","1.083","","","","has coordinates,has disorder","282108","2023-03-29","01:46:22","" "1568723","6.4445","0.0015","11.458","0.003","13.656","0.003","80.205","0.007","85.649","0.007","82.844","0.007","984.4","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H27 B N2 O4 S -","- C18 H27 B N2 O4 S -","- C36 H54 B2 N4 O8 S2 -","2","1","","Choi, Hyoju; Wang, Ruibin; Kim, Suyeon; Kim, Dongwook; Baik, Mu-Hyun; Park, Sehoon","Rhodium-catalyzed double hydroboration of pyridine: the origin of the chemo- and regioselectivities","Catalysis Science & Technology","2023","13","9","2735","2747","10.1039/D3CY00347G","","","0.71073","MoKα","","0.1182","0.0892","","","0.2382","0.2708","","","","","","1.022","","","","has coordinates,has disorder","295953","2024-11-15","23:36:26","" "1568724","12.029","0.003","14.49","0.004","11.877","0.003","90","","95.143","0.007","90","","2061.8","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 B N2 O4 S -","- C18 H27 B N2 O4 S -","- C72 H108 B4 N8 O16 S4 -","4","1","","Choi, Hyoju; Wang, Ruibin; Kim, Suyeon; Kim, Dongwook; Baik, Mu-Hyun; Park, Sehoon","Rhodium-catalyzed double hydroboration of pyridine: the origin of the chemo- and regioselectivities","Catalysis Science & Technology","2023","13","9","2735","2747","10.1039/D3CY00347G","","","0.71073","MoKα","","0.117","0.0875","","","0.2466","0.2773","","","","","","1.041","","","","has coordinates,has disorder","295953","2024-11-15","23:36:26","" "1568725","20.718","0.002","9.01","0.0011","21.438","0.002","90","","92.285","0.003","90","","3998.6","0.7","298","2","298.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H80 Br4 N4 Ni2 -","- C86 H80 Br4 N4 Ni2 -","- C172 H160 Br8 N8 Ni4 -","2","0.5","","Yan, Zhengpeng; Zou, Wenping; Dai, Shengyu","Unexpected o-aryl tBu group effect on suppression of chain transfer in pyridine–imine Ni(ii) and Pd(ii) catalyzed ethylene (co)polymerization","Polymer Chemistry","2023","14","17","2107","2116","10.1039/D3PY00146F","","","0.71073","MoKα","","0.2689","0.1063","","","0.2299","0.283","","","","","","0.851","","","","has coordinates,has disorder","283511","2023-05-05","03:36:41","" "1568726","11.2154","0.0016","11.8439","0.0018","14.4771","0.0019","73.502","0.011","80.941","0.011","78.858","0.012","1798.3","0.5","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H41 Cl N2 Pd -","- C43 H41 Cl N2 Pd -","- C86 H82 Cl2 N4 Pd2 -","2","1","","Yan, Zhengpeng; Zou, Wenping; Dai, Shengyu","Unexpected o-aryl tBu group effect on suppression of chain transfer in pyridine–imine Ni(ii) and Pd(ii) catalyzed ethylene (co)polymerization","Polymer Chemistry","2023","14","17","2107","2116","10.1039/D3PY00146F","","x-ray","1.54186","CuKα","","0.0937","0.0765","","","0.2127","0.2369","","","","","","1.116","","","","has coordinates","283511","2023-05-05","03:37:05","" "1568727","9.5248","0.0004","27.3332","0.0015","17.6167","0.0012","90","","91.785","0.005","90","","4584.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H69 B2 K O2 -","- C50 H69 B2 K O2 -","- C200 H276 B8 K4 O8 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1024","0.0611","","","0.1471","0.1685","","","","","","1.013","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47","" "1568728","9.8879","0.0012","14.446","0.002","16.292","0.003","115.332","0.015","91.157","0.011","102.693","0.011","2034.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H58 B Cl Si -","- C46.003 H58.009 B Cl Si -","- C92.006 H116.018 B2 Cl2 Si2 -","2","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1227","0.0705","","","0.1721","0.2006","","","","","","1.034","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47","" "1568729","14.9715","0.0005","21.0575","0.0004","17.4635","0.0005","90","","114.563","0.004","90","","5007.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H77 B2 K O2 -","- C54 H77 B2 K O2 -","- C216 H308 B8 K4 O8 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.0668","0.0554","","","0.1404","0.1481","","","","","","1.05","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47","" "1568730","17.759","0.0009","21.4676","0.0011","28.6119","0.0016","90","","104.031","0.006","90","","10582.6","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C110 H160 B4 K2 O7 -","- C110 H160 B4 K2 O7 -","- C440 H640 B16 K8 O28 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1141","0.0815","","","0.2193","0.248","","","","","","1.02","","","","has coordinates","284207","2023-06-05","03:53:47","" "1568731","11.9232","0.0008","19.4217","0.0013","25.512","0.002","90","","91.836","0.008","90","","5904.8","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H93 B2 Li O4 -","- C62 H93 B2 Li O4 -","- C248 H372 B8 Li4 O16 -","4","2","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1579","0.0616","","","0.1093","0.1214","","","","","","0.749","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47","" "1568732","11.9435","0.0008","24.517","0.002","15.0825","0.0012","90","","103.854","0.008","90","","4288","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H60 B Cl Si -","- C46 H60 B Cl Si -","- C184 H240 B4 Cl4 Si4 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1199","0.0582","","","0.1051","0.1271","","","","","","0.956","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47","" "1568733","14.8477","0.0007","14.9915","0.0007","22.6511","0.0012","90","","100.094","0.004","90","","4963.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H75 B Cl O2.5 Si -","- C52 H75 B Cl O2.5 Si -","- C208 H300 B4 Cl4 O10 Si4 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.0935","0.071","","","0.1709","0.1906","","","","","","1.163","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47","" "1568734","14.9707","0.0012","21.1115","0.0013","17.2101","0.0016","90","","113.427","0.01","90","","4990.9","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H75 B2 K O2 -","- C54 H75 B2 K O2 -","- C216 H300 B8 K4 O8 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.0893","0.0548","","","0.1293","0.147","","","","","","0.985","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47","" "1568735","9.8384","0.0007","14.6699","0.0011","17.434","0.0013","92.485","0.006","98.376","0.006","102.215","0.006","2425.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H69 B Cl Si -","- C55 H69 B Cl Si -","- C110 H138 B2 Cl2 Si2 -","2","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1526","0.0749","","","0.1536","0.189","","","","","","1.014","","","","has coordinates","284207","2023-06-05","03:53:47","" "1568736","9.6488","0.0004","12.5511","0.0005","27.859","0.001","90","","96.072","0.004","90","","3354.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 B Cl Si -","- C38 H44 B Cl Si -","- C152 H176 B4 Cl4 Si4 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.0798","0.048","","","0.1078","0.1222","","","","","","1.012","","","","has coordinates","284207","2023-06-05","03:53:47","" "1568737","17.8","0.0007","14.6788","0.0005","19.2967","0.0007","90","","96.263","0.003","90","","5011.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H77 B O3 Si -","- C54 H77 B O3 Si -","- C216 H308 B4 O12 Si4 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1217","0.0647","","","0.1659","0.1806","","","","","","0.863","","","","has coordinates","284207","2023-06-05","03:53:47","" "1568738","20.34","0.005","11.791","0.003","22.744","0.006","90","","90","","90","","5455","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H39 B Si2 -","- C27 H39 B Si2 -","- C216 H312 B8 Si16 -","8","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0468","0.0382","","","0.1064","0.114","","","","","","1.073","","","","has coordinates","284214","2023-06-05","03:57:31","" "1568739","11.975","0.002","14.7","0.003","14.916","0.003","90.82","0.003","103.725","0.003","90.717","0.003","2550.1","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C104 H166 B2 Si4 -","- C103.988 H165.972 B2 Si4 -","- C103.988 H165.972 B2 Si4 -","1","0.5","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0691","0.0576","","","0.152","0.1608","","","","","","1.084","","","","has coordinates,has disorder","284214","2023-06-05","03:57:34","" "1568740","23.592","0.003","15.0926","0.0017","22.907","0.003","90","","118.969","0.002","90","","7135.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H45 B Cl2 Si3 -","- C34 H45 B Cl2 Si3 -","- C272 H360 B8 Cl16 Si24 -","8","2","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0425","0.0372","","","0.0939","0.0979","","","","","","1.031","","","","has coordinates","284214","2023-06-05","03:57:34","" "1568741","8.7268","0.0004","11.9752","0.0005","16.8842","0.0008","72.238","0.002","79.568","0.002","73.411","0.002","1601.88","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H45 B Si2 -","- C34 H45 B Si2 -","- C68 H90 B2 Si4 -","2","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0437","0.0419","","","0.1174","0.1191","","","","","","1.056","","","","has coordinates","284214","2023-06-05","03:57:34","" "1568742","12.085","0.002","21.926","0.004","22.008","0.004","76.903","0.003","74.67","0.003","83.086","0.003","5466.4","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H81 B Cl2 Si3 -","- C52 H81 B Cl2 Si3 -","- C208 H324 B4 Cl8 Si12 -","4","2","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0743","0.0478","","","0.1028","0.1143","","","","","","1.001","","","","has coordinates","284214","2023-06-05","03:57:34","" "1568743","17.122","0.0014","15.7803","0.0013","20.5144","0.0017","90","","91.669","0.001","90","","5540.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H72 B Cl3 N2 Si3 -","- C53 H72 B Cl3 N2 Si3 -","- C212 H288 B4 Cl12 N8 Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.045","0.0348","","","0.0891","0.0968","","","","","","1.026","","","","has coordinates","284214","2023-06-05","03:57:34","" "1568744","9.8784","0.0009","21.109","0.002","26.089","0.002","90","","93.79","0.002","90","","5428.3","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H81 B Cl2 N2 Si3 -","- C53 H81 B Cl2 N2 Si3 -","- C212 H324 B4 Cl8 N8 Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0698","0.0456","","","0.098","0.1095","","","","","","1.028","","","","has coordinates","284214","2023-06-05","03:57:34","" "1568745","10.726","0.003","30.19","0.009","24.137","0.008","90","","98.286","0.005","90","","7734","4","100","1","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C79 H117 B Cl2 N2 Si3 -","- C79 H117 B Cl2 N2 Si3 -","- C316 H468 B4 Cl8 N8 Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.1046","0.0643","","","0.1678","0.1888","","","","","","1.026","","","","has coordinates,has disorder","284214","2023-06-05","03:57:34","" "1568746","11.9105","0.0007","20.2221","0.0009","14.3115","0.0007","90","","103.638","0.004","90","","3349.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H45 B Si3 -","- C34 H45 B Si3 -","- C136 H180 B4 Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0657","0.0484","","","0.127","0.1341","","","","","","1.092","","","","has coordinates,has disorder","284214","2023-06-05","03:57:34","" "1568747","17.1027","0.0009","15.8004","0.0008","20.5088","0.0011","90","","91.84","0.003","90","","5539.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H75 B Cl2 N2 Si3 -","- C54 H75 B Cl2 N2 Si3 -","- C216 H300 B4 Cl8 N8 Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.046","0.0341","","","0.0881","0.0964","","","","","","1.021","","","","has coordinates","284214","2023-06-05","03:57:34","" "1568748","15.9046","0.0013","16.4022","0.0014","23.053","0.002","90","","90","","90","","6013.8","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C61 H81 B Cl2 N2 Si3 -","- C61 H81 B Cl2 N2 Si3 -","- C244 H324 B4 Cl8 N8 Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0422","0.0346","","","0.0802","0.0843","","","","","","1.045","","","","has coordinates","284214","2023-06-05","03:57:34","" "1568749","14.8214","0.0011","26.3082","0.0018","17.7522","0.0013","90","","110.179","0.001","90","","6497.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H101.5 B N2 O0.25 Si3 -","- C67 H101.5 B N2 O0.25 Si3 -","- C268 H406 B4 N8 O Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0821","0.0503","","","0.1099","0.1269","","","","","","1.039","","","","has coordinates,has disorder","284214","2023-06-05","03:57:34","" "1568750","25.6949","0.0011","25.6949","0.0011","41.525","0.003","90","","90","","120","","23743","2","159","2","159","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C324 H204 Ag16 Cl24 O24 P8 -","- C324 H204 Ag15.998 Cl24 O24 P8 -","- C972 H612 Ag47.994 Cl72 O72 P24 -","3","0.166667","","Wang, Hao-Hai; Wei, Jianyu; Bigdeli, Fahime; Rouhani, Farzaneh; Su, Hai-Feng; Wang, Ling-Xiao; Kahlal, Samia; Halet, Jean-François; Saillard, Jean-Yves; Morsali, Ali; Liu, Kuan-Guan","Monocarboxylate-protected two-electron superatomic silver nanoclusters with high photothermal conversion performance.","Nanoscale","2023","15","18","8245","8254","10.1039/d3nr00571b","","x-ray","0.71073","MoKα","","0.1147","0.0904","","","0.2081","0.2232","","","","","","0.909","","","","has coordinates,has disorder","284286","2023-06-05","04:39:08","" "1568751","23.193","0.0003","23.193","0.0003","42.6267","0.0005","90","","90","","120","","19857.6","0.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","[Ag16(AnCO2)12(Fu3P)8].(OH)2.6H2O","","","- C276 H176 Ag16 O56 P8 -","- C276 H176 Ag16 O56 P8 -","- C828 H528 Ag48 O168 P24 -","3","0.166667","","Wang, Hao-Hai; Wei, Jianyu; Bigdeli, Fahime; Rouhani, Farzaneh; Su, Hai-Feng; Wang, Ling-Xiao; Kahlal, Samia; Halet, Jean-François; Saillard, Jean-Yves; Morsali, Ali; Liu, Kuan-Guan","Monocarboxylate-protected two-electron superatomic silver nanoclusters with high photothermal conversion performance.","Nanoscale","2023","15","18","8245","8254","10.1039/d3nr00571b","","","1.54178","CuKα","","0.1169","0.0767","","","0.1853","0.2021","","","","","","1.051","","","","has coordinates,has disorder","284286","2023-06-05","04:39:09","" "1568752","31.0591","0.0002","31.0591","0.0002","31.0591","0.0002","90","","90","","90","","29961.7","0.3","193","2","193","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","[Ag16(C18H15As)8(C15H9O2)12](OH)2","","","- C324 H228 Ag16 As8 O26 -","- C324 H228 Ag16 As8 O26 -","- C1296 H912 Ag64 As32 O104 -","4","0.166667","","Wang, Hao-Hai; Wei, Jianyu; Bigdeli, Fahime; Rouhani, Farzaneh; Su, Hai-Feng; Wang, Ling-Xiao; Kahlal, Samia; Halet, Jean-François; Saillard, Jean-Yves; Morsali, Ali; Liu, Kuan-Guan","Monocarboxylate-protected two-electron superatomic silver nanoclusters with high photothermal conversion performance.","Nanoscale","2023","15","18","8245","8254","10.1039/d3nr00571b","","","0.71073","MoKα","","0.0741","0.0454","","","0.1061","0.117","","","","","","1.051","","","","has coordinates","284286","2023-06-05","04:39:09","" "1568753","30.8121","0.0005","30.8121","0.0005","30.8121","0.0005","90","","90","","90","","29252.6","0.8","154","2","154","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","[Ag16(C18H15P)8(C15H9O2)12](OH)2","","","- C324 H228 Ag16 O26 P8 -","- C324 H228 Ag16 O25.998 P8 -","- C1296 H912 Ag64 O103.992 P32 -","4","0.166667","","Wang, Hao-Hai; Wei, Jianyu; Bigdeli, Fahime; Rouhani, Farzaneh; Su, Hai-Feng; Wang, Ling-Xiao; Kahlal, Samia; Halet, Jean-François; Saillard, Jean-Yves; Morsali, Ali; Liu, Kuan-Guan","Monocarboxylate-protected two-electron superatomic silver nanoclusters with high photothermal conversion performance.","Nanoscale","2023","15","18","8245","8254","10.1039/d3nr00571b","","","0.71073","MoKα","","0.0411","0.037","","","0.0942","0.0965","","","","","","1.131","","","","has coordinates,has disorder","284286","2023-06-05","04:39:09","" "1568754","10.221","0.003","12.581","0.003","13.333","0.004","90","","90","","90","","1714.5","0.8","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O6 -","- C19 H26 O6 -","- C76 H104 O24 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","0.71073","MoKα","","0.0592","0.0424","","","0.0942","0.1007","","","","","","1.069","","","","has coordinates","284236","2023-06-05","04:07:59","" "1568755","10.105","0.002","8.9547","0.0018","10.215","0.002","90","","110.038","0.01","90","","868.4","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C40 H42 N2 O8 -","2","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0446","0.0415","","","0.1027","0.1048","","","","","","1.074","","","","has coordinates,has disorder","284236","2023-06-05","04:08:00","" "1568756","34.102","0.005","14.485","0.002","6.6087","0.0011","90","","94.96","0.01","90","","3252.3","0.9","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16.19 H20.19 Cl1.59 O5.5 -","- C16.1895 H20.1894 Cl1.5685 O5.5 -","- C129.516 H161.515 Cl12.548 O44 -","8","2","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0969","0.084","","","0.2207","0.2291","","","","","","1.065","","","","has coordinates,has disorder","284236","2023-06-05","04:08:00","" "1568757","6.7649","0.0005","10.9273","0.0009","14.4629","0.0014","90","","103.394","0.005","90","","1040.05","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 O4 Si -","- C24 H30 O4 Si -","- C48 H60 O8 Si2 -","2","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0893","0.088","","","0.2288","0.2312","","","","","","1.071","","","","has coordinates","284236","2023-06-05","04:08:00","" "1568758","9.0245","0.0013","13.383","0.002","16.329","0.003","90","","90","","90","","1972.1","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 O9 -","- C19 H32 O9 -","- C76 H128 O36 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0315","0.0314","","","0.0874","0.0875","","","","","","1.087","","","","has coordinates","284236","2023-06-05","04:08:00","" "1568759","6.3347","0.0003","12.3768","0.0005","30.9537","0.0013","90","","90","","90","","2426.87","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O4 Si -","- C25 H38 O4 Si -","- C100 H152 O16 Si4 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0341","0.0315","","","0.0776","0.0795","","","","","","1.045","","","","has coordinates","284236","2023-06-05","04:08:00","" "1568760","6.1878","0.0004","14.9676","0.0014","17.511","0.002","90","","90","","90","","1621.8","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0369","0.0353","","","0.0889","0.0906","","","","","","1.048","","","","has coordinates","284236","2023-06-05","04:08:00","" "1568761","7.267","0.003","9.667","0.003","15.436","0.004","90","","99.237","0.016","90","","1070.3","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 O4.16 Si -","- C24 H30 O4.166 Si -","- C48 H60 O8.332 Si2 -","2","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","0.71073","MoKα","","0.0494","0.0392","","","0.0861","0.0897","","","","","","1.024","","","","has coordinates,has disorder","284236","2023-06-05","04:08:00","" "1568762","6.9085","0.0014","10.3765","0.0019","17.058","0.003","90","","90.92","0.007","90","","1222.7","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H34 O4 Si -","- C27 H34 O4 Si -","- C54 H68 O8 Si2 -","2","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","0.71073","MoKα","","0.0511","0.0401","","","0.0827","0.0865","","","","","","1.035","","","","has coordinates","284236","2023-06-05","04:08:00","" "1568763","27.6163","0.0005","45.0146","0.0005","28.506","0.0004","90","","112.072","0.002","90","","32839.8","1","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C599 H792 F48 N40 O139 P8 -","- C599 H792 F48 N40 O139 P8 -","- C1198 H1584 F96 N80 O278 P16 -","2","0.5","","Zhong, Yulong; Sobiech, Thomas A.; Kauffmann, Brice; Song, Bo; Li, Xiaopeng; Ferrand, Yann; Huc, Ivan; Gong, Bing","High-affinity single and double helical pseudofoldaxanes with cationic guests.","Chemical science","2023","14","18","4759","4768","10.1039/d3sc00524k","","","1.54178","CuKα","","0.1605","0.1342","","","0.4","0.4258","","","","","","1.726","","","","has coordinates,has disorder","284235","2023-06-05","04:07:42","" "1568764","41.464","0.002","37.476","0.002","43.38","0.002","90","","99.771","0.005","90","","66431","6","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C448 H312 F42 N40 O126 P7 -","- C448 H312 F42 N40 O126 P7 -","- C1792 H1248 F168 N160 O504 P28 -","4","0.5","","Zhong, Yulong; Sobiech, Thomas A.; Kauffmann, Brice; Song, Bo; Li, Xiaopeng; Ferrand, Yann; Huc, Ivan; Gong, Bing","High-affinity single and double helical pseudofoldaxanes with cationic guests.","Chemical science","2023","14","18","4759","4768","10.1039/d3sc00524k","","","1.54178","CuKα","","0.2999","0.221","","","0.5107","0.5612","","","","","","1.81","","","","has coordinates","284235","2023-06-05","04:07:43","" "1568765","12.8925","0.0004","7.8461","0.0002","15.2747","0.0005","90","","100.851","0.003","90","","1517.5","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ethyl 4-phenyl-2-(pyrrolidin-1-yl)thiophene-3-carboxylate","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","1","","Tokareva, Marina A.; Pernik, Indrek; Messerle, Barbara A.; Glukhareva, Tatiana V.; Keaveney, Sinead T.","The effect of the C5-substituent on regioselectivity in the Rh(i)-catalyzed intermolecular transannulation of 1,2,3-thiadiazoles with phenylacetylene","Catalysis Science & Technology","2023","13","9","2772","2782","10.1039/D3CY00290J","","x-ray","1.54184","CuKα","","0.041","0.0369","","","0.098","0.1026","","","","","","1.06","","","","has coordinates","284162","2023-06-05","03:21:25","" "1568766","8.8717","0.0004","8.9788","0.0004","10.5747","0.0004","100.966","0.004","100.107","0.004","93.879","0.004","809.68","0.06","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","ethyl 5-(4-nitrophenyl)-3-phenylisothiazole-4-carboxylate","","- C9 H7 N O2 S0.5 -","- C9 H7 N O2 S0.5 -","- C36 H28 N4 O8 S2 -","4","2","","Tokareva, Marina A.; Pernik, Indrek; Messerle, Barbara A.; Glukhareva, Tatiana V.; Keaveney, Sinead T.","The effect of the C5-substituent on regioselectivity in the Rh(i)-catalyzed intermolecular transannulation of 1,2,3-thiadiazoles with phenylacetylene","Catalysis Science & Technology","2023","13","9","2772","2782","10.1039/D3CY00290J","","x-ray","0.71073","MoKα","","0.0482","0.0386","","","0.0845","0.0905","","","","","","1.071","","","","has coordinates","284162","2023-06-05","03:21:25","" "1568767","11.0494","0.0002","10.37004","0.00019","26.5033","0.0005","90","","100.257","0.0019","90","","2988.28","0.1","99.9","0.3","99.9","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ethyl 3-phenyl-5-(pyrrolidin-1-yl)isothiazole-4-carboxylate","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C128 H144 N16 O16 S8 -","8","2","","Tokareva, Marina A.; Pernik, Indrek; Messerle, Barbara A.; Glukhareva, Tatiana V.; Keaveney, Sinead T.","The effect of the C5-substituent on regioselectivity in the Rh(i)-catalyzed intermolecular transannulation of 1,2,3-thiadiazoles with phenylacetylene","Catalysis Science & Technology","2023","13","9","2772","2782","10.1039/D3CY00290J","","x-ray","0.71073","MoKα","","0.1463","0.0927","","","0.1795","0.1954","","","","","","1.174","","","","has coordinates","284162","2023-06-05","03:21:25","" "1568768","9.7409","0.0001","7.7066","0.0001","21.1913","0.0002","90","","91.38","0.001","90","","1590.35","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ethyl 2-(cyclopentanecarbonothioyl)-3-phenylbutanoate","","- C17 H21 N O2 S -","- C17 H21 N O2 S -","- C68 H84 N4 O8 S4 -","4","1","","Tokareva, Marina A.; Pernik, Indrek; Messerle, Barbara A.; Glukhareva, Tatiana V.; Keaveney, Sinead T.","The effect of the C5-substituent on regioselectivity in the Rh(i)-catalyzed intermolecular transannulation of 1,2,3-thiadiazoles with phenylacetylene","Catalysis Science & Technology","2023","13","9","2772","2782","10.1039/D3CY00290J","","x-ray","1.54184","CuKα","","0.0351","0.033","","","0.1184","0.1224","","","","","","1.0802","","","","has coordinates","284162","2023-06-05","03:21:25","" "1568769","16.619","0.003","16.619","0.003","31.843","0.01","90","","90","","90","","8795","4","296","2","296","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C28 H21 Cu F6 N8 O4 Ti -","- C28 H21 Cu F6 N8 O4 Ti -","- C224 H168 Cu8 F48 N64 O32 Ti8 -","8","0.5","","Duan, Yuefeng; Huang, Yuhang; Wang, Chongqing; Wang, Qian; Ge, Kai; Lu, Zhiyong; Wang, Huijie; Duan, Jingui; Bai, Junfeng; Jin, Wanqin","Formation and fine-tuning of metal–organic frameworks with carboxylic pincers for the recognition of a C2H2 tetramer and highly selective separation of C2H2/C2H4","Chemical Science","2023","14","17","4605","4611","10.1039/D3SC00877K","","","0.71073","MoKα","","0.1176","0.0726","","","0.1992","0.2299","","","","","","1.112","","","","has coordinates,has disorder","283194","2023-05-05","01:16:14","" "1568770","16.567","0.002","16.567","0.002","31.995","0.009","90","","90","","90","","8782","3","296","2","296","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C27 H22 Cu F6 N8 O4 Ti -","- C27 H22 Cu F6 N8 O4 Ti -","- C216 H176 Cu8 F48 N64 O32 Ti8 -","8","0.5","","Duan, Yuefeng; Huang, Yuhang; Wang, Chongqing; Wang, Qian; Ge, Kai; Lu, Zhiyong; Wang, Huijie; Duan, Jingui; Bai, Junfeng; Jin, Wanqin","Formation and fine-tuning of metal–organic frameworks with carboxylic pincers for the recognition of a C2H2 tetramer and highly selective separation of C2H2/C2H4","Chemical Science","2023","14","17","4605","4611","10.1039/D3SC00877K","","","0.71073","MoKα","","0.1373","0.0706","","","0.1679","0.1887","","","","","","1.072","","","","has coordinates","283194","2023-05-05","01:16:16","" "1568771","16.5421","0.0004","16.5421","0.0004","31.7992","0.0014","90","","90","","90","","8701.6","0.5","293","2","293","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C26 H28 Cu F6 N8 O8 Ti -","- C26 H28 Cu F6 N8 O8 Ti -","- C208 H224 Cu8 F48 N64 O64 Ti8 -","8","0.5","","Duan, Yuefeng; Huang, Yuhang; Wang, Chongqing; Wang, Qian; Ge, Kai; Lu, Zhiyong; Wang, Huijie; Duan, Jingui; Bai, Junfeng; Jin, Wanqin","Formation and fine-tuning of metal–organic frameworks with carboxylic pincers for the recognition of a C2H2 tetramer and highly selective separation of C2H2/C2H4","Chemical Science","2023","14","17","4605","4611","10.1039/D3SC00877K","","","0.71073","MoKα","","0.0927","0.0773","","","0.227","0.2419","","","","","","1.083","","","","has coordinates","283194","2023-05-05","01:16:16","" "1568772","16.848","0.005","16.848","0.005","31.093","0.017","90","","90","","90","","8826","6","296","2","296","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C26 H20 Cu F6 N8 O4 Zr -","- C26 H20 Cu F6 N8 O4 Zr -","- C208 H160 Cu8 F48 N64 O32 Zr8 -","8","0.5","","Duan, Yuefeng; Huang, Yuhang; Wang, Chongqing; Wang, Qian; Ge, Kai; Lu, Zhiyong; Wang, Huijie; Duan, Jingui; Bai, Junfeng; Jin, Wanqin","Formation and fine-tuning of metal–organic frameworks with carboxylic pincers for the recognition of a C2H2 tetramer and highly selective separation of C2H2/C2H4","Chemical Science","2023","14","17","4605","4611","10.1039/D3SC00877K","","","0.71073","MoKα","","0.0957","0.0583","","","0.1196","0.1283","","","","","","1.041","","","","has coordinates","283194","2023-05-05","01:16:16","" "1568773","16.748","0.01","16.748","0.01","32.24","0.05","90","","90","","90","","9043","16","296","2","296","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C26 H20 Cu F6 N8 O4 Ti -","- C26 H20 Cu F6 N8 O4 Ti -","- C208 H160 Cu8 F48 N64 O32 Ti8 -","8","0.5","","Duan, Yuefeng; Huang, Yuhang; Wang, Chongqing; Wang, Qian; Ge, Kai; Lu, Zhiyong; Wang, Huijie; Duan, Jingui; Bai, Junfeng; Jin, Wanqin","Formation and fine-tuning of metal–organic frameworks with carboxylic pincers for the recognition of a C2H2 tetramer and highly selective separation of C2H2/C2H4","Chemical Science","2023","14","17","4605","4611","10.1039/D3SC00877K","","","0.71073","MoKα","","0.1083","0.0604","","","0.1118","0.1211","","","","","","1.045","","","","has coordinates","283194","2023-05-05","01:16:16","" "1568774","16.228","0.004","16.228","0.004","32.536","0.018","90","","90","","90","","8568","6","296","2","296","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C26 H20 Cu F6 N8 O4 Si -","- C26 H20 Cu F6 N8 O4 Si -","- C208 H160 Cu8 F48 N64 O32 Si8 -","8","0.5","","Duan, Yuefeng; Huang, Yuhang; Wang, Chongqing; Wang, Qian; Ge, Kai; Lu, Zhiyong; Wang, Huijie; Duan, Jingui; Bai, Junfeng; Jin, Wanqin","Formation and fine-tuning of metal–organic frameworks with carboxylic pincers for the recognition of a C2H2 tetramer and highly selective separation of C2H2/C2H4","Chemical Science","2023","14","17","4605","4611","10.1039/D3SC00877K","","","0.71073","MoKα","","0.1293","0.0804","","","0.1806","0.2001","","","","","","1.04","","","","has coordinates","283194","2023-05-05","01:16:16","" "1568775","16.034","0.002","23.766","0.003","11.388","0.003","90","","108.155","0.002","90","","4123.5","1.3","150","","150.01","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C50 H106 Au6 Cl8 Ga4 P6 -","- C50 H106 Au6 Cl8 Ga4 P6 -","- C100 H212 Au12 Cl16 Ga8 P12 -","2","0.25","","Strienz, Markus; Fetzer, Florian; Schnepf, Andreas","Synthesis and characterisation of four bimetallic gold–gallium clusters with Au–Ga rings as a new structural motif in gold cluster chemistry","Chemical Science","2023","14","17","4571","4579","10.1039/D2SC06908C","","x-ray","0.71073","MoKα","","0.0637","0.0391","","","0.0882","0.1025","","","","","","1.043","","","","has coordinates,has disorder","283146","2023-05-05","00:48:14","" "1568776","13.0624","0.001","15.2056","0.0011","21.0776","0.0016","92.022","0.002","98.393","0.002","91.024","0.002","4137.9","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H126 Au7 Cl6 Ga3 P6 -","- C54 H126 Au7 Cl6 Ga3 P6 -","- C108 H252 Au14 Cl12 Ga6 P12 -","2","1","","Strienz, Markus; Fetzer, Florian; Schnepf, Andreas","Synthesis and characterisation of four bimetallic gold–gallium clusters with Au–Ga rings as a new structural motif in gold cluster chemistry","Chemical Science","2023","14","17","4571","4579","10.1039/D2SC06908C","","x-ray","0.71073","MoKα","","0.0472","0.0313","","","0.0681","0.0786","","","","","","1.076","","","","has coordinates,has disorder","283146","2023-05-05","00:48:16","" "1568777","17.9369","0.0002","29.9431","0.0003","26.0812","0.0003","90","","99.9143","0.0012","90","","13798.7","0.3","100","0.13","100","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H207 Au13 Cl11 Ga6 P9 -","- C90 H207 Au13 Cl11 Ga6 P9 -","- C360 H828 Au52 Cl44 Ga24 P36 -","4","1","","Strienz, Markus; Fetzer, Florian; Schnepf, Andreas","Synthesis and characterisation of four bimetallic gold–gallium clusters with Au–Ga rings as a new structural motif in gold cluster chemistry","Chemical Science","2023","14","17","4571","4579","10.1039/D2SC06908C","","x-ray","1.54184","CuKα","","0.0745","0.0526","","","0.127","0.1436","","","","","","1.054","","","","has coordinates,has disorder","283146","2023-05-05","00:48:16","" "1568778","16.1624","0.0005","27.8938","0.0008","28.6686","0.001","90","","94.586","0.001","90","","12883.3","0.7","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H189 Au13 Cl10 Ga5 P9 -","- C81 H189 Au13 Cl10 Ga5 P9 -","- C324 H756 Au52 Cl40 Ga20 P36 -","4","1","","Strienz, Markus; Fetzer, Florian; Schnepf, Andreas","Synthesis and characterisation of four bimetallic gold–gallium clusters with Au–Ga rings as a new structural motif in gold cluster chemistry","Chemical Science","2023","14","17","4571","4579","10.1039/D2SC06908C","","x-ray","0.71073","MoKα","","0.0619","0.0338","","","0.0637","0.0771","","","","","","1.08","","","","has coordinates,has disorder","283146","2023-05-05","00:48:16","" "1568779","25.7587","0.0004","7.7074","0.0001","16.144","0.0003","90","","92.5083","0.0006","90","","3202.04","0.09","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 F3 N2 O4 S -","- C14 H15 F3 N2 O4 S -","- C112 H120 F24 N16 O32 S8 -","8","1","","Mavroskoufis, Andreas; Lohani, Manish; Weber, Manuela; Hopkinson, Matthew N.; Götze, Jan P","A (TD-)DFT study on photo-NHC catalysis: photoenolization/Diels-Alder reaction of acid fluorides catalyzed by N-heterocyclic carbenes.","Chemical science","2023","14","15","4027","4037","10.1039/d2sc04732b","","","0.71073","MoKα","","0.039","0.0357","","","0.089","0.0912","","","","","","1.059","","","","has coordinates","283179","2023-05-05","01:10:00","" "1568780","9.6916","0.0002","13.1235","0.0002","13.3856","0.0002","90","","97.0695","0.0007","90","","1689.54","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 F3 O2 -","- C22 H15 F3 O2 -","- C88 H60 F12 O8 -","4","1","","Mavroskoufis, Andreas; Lohani, Manish; Weber, Manuela; Hopkinson, Matthew N.; Götze, Jan P","A (TD-)DFT study on photo-NHC catalysis: photoenolization/Diels-Alder reaction of acid fluorides catalyzed by N-heterocyclic carbenes.","Chemical science","2023","14","15","4027","4037","10.1039/d2sc04732b","","","0.71073","MoKα","","0.0355","0.0326","","","0.0796","0.0818","","","","","","1.066","","","","has coordinates","283179","2023-05-05","01:10:00","" "1568781","9.2422","0.0007","11.4334","0.0007","14.3847","0.0012","87.244","0.002","72.344","0.002","78.948","0.001","1421.48","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 F3 O2 -","- C17 H13 F3 O2 -","- C68 H52 F12 O8 -","4","2","","Mavroskoufis, Andreas; Lohani, Manish; Weber, Manuela; Hopkinson, Matthew N.; Götze, Jan P","A (TD-)DFT study on photo-NHC catalysis: photoenolization/Diels-Alder reaction of acid fluorides catalyzed by N-heterocyclic carbenes.","Chemical science","2023","14","15","4027","4037","10.1039/d2sc04732b","","","1.54178","CuKα","","0.037","0.0362","","","0.0903","0.0909","","","","","","1.1","","","","has coordinates","283179","2023-05-05","01:10:00","" "1568782","14.6426","0.0007","20.0946","0.0013","32.345","0.002","90","","90","","90","","9517.1","1","223","2","223","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H47 N9 O14 Zn -","- C51 H47 N9 O14 Zn -","- C408 H376 N72 O112 Zn8 -","8","1","","Pook, Niels-Patrick","Supramolecular Structure of Tris(1,10-phenanthroline)zinc(II)-Cation and N,N′,N″-tris(carboxymethyl)-1,3,5-benzenetricarboxamide-Anion: Synthesis, Crystal Structure, Vibrational Spectra, and Theoretical Investigations","Crystals","2023","13","4","569","","10.3390/cryst13040569","","","0.71073","MoKα","","0.1277","0.0536","","","0.0948","0.1162","","","","","","0.908","","","","has coordinates","282348","2023-04-04","13:04:38","" "1568783","8.8038","0.0006","16.3659","0.0012","19.8889","0.0013","90","","91.557","0.001","90","","2864.6","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","complex1","","","- C22 H28 Cl Cu Ho N6 O10 -","- C22 H28 Cl Cu Ho N6 O10 -","- C88 H112 Cl4 Cu4 Ho4 N24 O40 -","4","1","","Zhang, Shaoliang; Du, Ruili; Fan, Xiufang; Zhao, Xinhua; Wang, Yanlan; Li, Shanshan","Self-Assembly Heterometallic Cu-Ln Complexes: Synthesis, Crystal Structures and Magnetic Characterization","Crystals","2023","13","3","535","","10.3390/cryst13030535","","","0.71073","MoKα","","0.1692","0.0901","","","0.1761","0.2156","","","","","","0.865","","","","has coordinates","282349","2023-04-04","13:05:19","" "1568784","8.8191","0.0007","16.5598","0.0014","20.0787","0.0018","90","","91.748","0.002","90","","2931","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","complex2","","","- C22 H28 Cl Cu Gd N6 O10 -","- C22 H28 Cl Cu Gd N6 O10 -","- C88 H112 Cl4 Cu4 Gd4 N24 O40 -","4","1","","Zhang, Shaoliang; Du, Ruili; Fan, Xiufang; Zhao, Xinhua; Wang, Yanlan; Li, Shanshan","Self-Assembly Heterometallic Cu-Ln Complexes: Synthesis, Crystal Structures and Magnetic Characterization","Crystals","2023","13","3","535","","10.3390/cryst13030535","","","0.71073","MoKα","","0.1819","0.0822","","","0.1644","0.2086","","","","","","0.788","","","","has coordinates","282350","2023-04-04","13:05:48","" "1568785","19.9823","0.0006","13.8784","0.0005","29.3863","0.0009","90","","90","","90","","8149.5","0.5","120","","120","","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C55 H49 Cl3 Dy N6 O6 S4 Se20 -","- C55 H49 Cl3 Dy N6 O6 S4 Se20 -","- C220 H196 Cl12 Dy4 N24 O24 S16 Se80 -","4","0.5","","Wan, Qingyun; Wakizaka, Masanori; Zhang, Haitao; Shen, Yongbing; Funakoshi, Nobuto; Che, Chi-Ming; Takaishi, Shinya; Yamashita, Masahiro","A New Organic Conductor of Tetramethyltetraselenafulvalene (TMTSF) with a Magnetic Dy(III) Complex","Magnetochemistry","2023","9","3","77","","10.3390/magnetochemistry9030077","","x-ray","0.71073","MoKα","","0.0655","0.0447","","","0.087","0.0964","","","","","","1.029","","","","has coordinates","282352","2023-04-04","21:09:59","" "1568786","10.85569","0.00008","25.04851","0.00019","12.39611","0.00009","90","","99.6153","0.0007","90","","3323.38","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H86 N8 O13 -","- C68 H86 N8 O13 -","- C136 H172 N16 O26 -","2","1","","Ibukun, Olamilekan Joseph; Gumtya, Milan; Singh, Surajit; Shit, Ananda; Haldar, Debasish","Effect of the spacer on the structure and self-assembly of FF peptide mimetics.","Soft matter","2023","19","17","3215","3221","10.1039/d3sm00339f","","","1.54184","CuKα","","0.0272","0.0269","","","0.0677","0.0679","","","","","","1.033","","","","has coordinates","283512","2023-05-05","03:37:44","" "1568787","7.8478","0.0006","4.8691","0.0003","42.509","0.003","90","","92.142","0.006","90","","1623.2","0.2","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 N2 O4 -","- C36 H50 N2 O4 -","- C72 H100 N4 O8 -","2","0.5","","Chlebosz, Dorota; Goldeman, Waldemar; Janus, Krzysztof; Szuster, Michał; Kiersnowski, Adam","Synthesis, Solution, and Solid State Properties of Homological Dialkylated Naphthalene Diimides—A Systematic Review of Molecules for Next-Generation Organic Electronics","Molecules","2023","28","7","2940","","10.3390/molecules28072940","","x-ray","0.71073","MoKα","","0.0847","0.0492","","","0.1045","0.1192","","","","","","1.019","","","","has coordinates","282366","2023-04-05","02:11:32","" "1568788","7.873","0.0002","4.84356","0.00013","33.0246","0.0009","90","","95.025","0.003","90","","1254.5","0.06","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 N2 O4 -","- C28 H34 N2 O4 -","- C56 H68 N4 O8 -","2","0.5","","Chlebosz, Dorota; Goldeman, Waldemar; Janus, Krzysztof; Szuster, Michał; Kiersnowski, Adam","Synthesis, Solution, and Solid State Properties of Homological Dialkylated Naphthalene Diimides—A Systematic Review of Molecules for Next-Generation Organic Electronics","Molecules","2023","28","7","2940","","10.3390/molecules28072940","","x-ray","0.71073","MoKα","","0.0565","0.0463","","","0.1128","0.1182","","","","","","1.096","","","","has coordinates","282367","2023-04-05","02:12:06","" "1568789","7.8486","0.0005","4.8383","0.0005","37.741","0.002","90","","95.026","0.006","90","","1427.66","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 N2 O4 -","- C32 H42 N2 O4 -","- C64 H84 N4 O8 -","2","0.5","","Chlebosz, Dorota; Goldeman, Waldemar; Janus, Krzysztof; Szuster, Michał; Kiersnowski, Adam","Synthesis, Solution, and Solid State Properties of Homological Dialkylated Naphthalene Diimides—A Systematic Review of Molecules for Next-Generation Organic Electronics","Molecules","2023","28","7","2940","","10.3390/molecules28072940","","x-ray","0.56087","AgKα","","0.0659","0.0439","","","0.1064","0.1189","","","","","","1.044","","","","has coordinates","282368","2023-04-05","02:12:41","" "1568790","11.6071","0.0016","16.655","0.002","11.7541","0.0019","90","","113.396","0.003","90","","2085.4","0.5","294","2","294","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C42 H48 Cl F6 N2 O4 P Ru -","- C42 H48 Cl F6 N2 O4 P Ru -","- C84 H96 Cl2 F12 N4 O8 P2 Ru2 -","2","1","","Kacsir, István; Sipos, Adrienn; Major, Evelin; Bajusz, Nikolett; Bényei, Attila; Buglyó, Péter; Somsák, László; Kardos, Gábor; Bai, Péter; Bokor, Éva","Half-Sandwich Type Platinum-Group Metal Complexes of C-Glucosaminyl Azines: Synthesis and Antineoplastic and Antimicrobial Activities","Molecules","2023","28","7","3058","","10.3390/molecules28073058","","x-ray","0.71073","MoKα","","0.1504","0.0826","","","0.1483","0.1847","","","","","","1.065","","","","has coordinates","282369","2023-04-05","02:13:14","" "1568791","14.3522","0.0012","18.7197","0.0016","7.4273","0.0006","90","","92.155","0.003","90","","1994.1","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C72 H72 N8 O24 -","8","1","","Surov, Artem O.; Ramazanova, Anna G.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Virtual Screening, Structural Analysis, and Formation Thermodynamics of Carbamazepine Cocrystals.","Pharmaceutics","2023","15","3","836","","10.3390/pharmaceutics15030836","","","0.71073","MoKα","","0.0634","0.0414","","","0.1033","0.1168","","","","","","1.017","","","","has coordinates","282370","2023-04-05","05:06:44","" "1568792","4.93312","","5.7245","","4.95368","","90","","90.0857","","90","","139.89","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","light wolframite","","","- Fe O4 W -","- Fe O4 W -","- Fe2 O8 W2 -","2","0.5","","Patil, Amitkumar R.; Dongale, Tukaram D.; Namade, Lahu D.; Mohite, Santosh V.; Kim, Y.; Sutar,Santosh S.; Kamat, Rajanish K.; Rajpure, Keshav Y.","Sprayed FeWO4 thin film-based memristive device with negative differential resistance effect for non-volatile memory and synaptic learning applications","Journal of Colloid and Interface Science","2023","642","","540","","10.1016/j.jcis.2023.03.189","","","","","","","","","","","","","","","","","","","","","has coordinates","282391","2023-04-05","08:37:11","" "1568793","57.933","0.007","57.933","0.007","57.933","0.007","90","","90","","90","","194437","4","100","2","100","2","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","","","- C522 H496 N72 Ni52 O264 -","- C522 H496 N72 Ni52 O264 -","- C4176 H3968 N576 Ni416 O2112 -","8","0.0833333","","Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong","Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks.","IUCrJ","2023","10","3","","","10.1107/S2052252523002385","","","0.71073","MoKα","","0.0484","0.0408","","","0.1171","0.1209","","","","","","1.053","","","","has coordinates","282412","2023-04-05","11:40:08","" "1568794","58.6","0.007","58.6","0.007","58.6","0.007","90","","90","","90","","201230","4","100","2","100","2","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","","","- C540 H544 N60 Ni52 O264 -","- C540 H544 N60 Ni52 O264 -","- C4320 H4352 N480 Ni416 O2112 -","8","0.0833333","","Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong","Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks.","IUCrJ","2023","10","3","","","10.1107/S2052252523002385","","","0.7","synchrotron","","0.0639","0.05","","","0.1555","0.165","","","","","","1.025","","","","has coordinates,has disorder","282412","2023-04-05","11:40:09","" "1568795","58.069","0.007","58.069","0.007","58.069","0.007","90","","90","","90","","195809","4","100","2","100","2","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","","","- C504 H442 Br18 N72 Ni52 O264 -","- C504 H442 Br18 N72 Ni52 O264 -","- C4032 H3536 Br144 N576 Ni416 O2112 -","8","0.0833333","","Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong","Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks.","IUCrJ","2023","10","3","","","10.1107/S2052252523002385","","","0.71073","MoKα","","0.0653","0.0592","","","0.1607","0.1646","","","","","","1.026","","","","has coordinates","282412","2023-04-05","11:40:09","" "1568796","58.38","0.007","58.38","0.007","58.38","0.007","90","","90","","90","","198972","4","100","2","100","2","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","","","- C522 H496 Co52 N72 O264 -","- C522 H496 Co52 N72 O264 -","- C4176 H3968 Co416 N576 O2112 -","8","0.0833333","","Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong","Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks.","IUCrJ","2023","10","3","","","10.1107/S2052252523002385","","","0.7","synchrotron","","0.0457","0.0413","","","0.1144","0.1171","","","","","","1.067","","","","has coordinates,has disorder","282412","2023-04-05","11:40:09","" "1568797","10.874","0.0008","7.0136","0.0006","12.2891","0.0012","90","","92.313","0.005","90","","936.48","0.14","90","0.5","90","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-Methoxy-3-nitrophenyl)acetamide","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C36 H40 N8 O16 -","4","1","HB4429","Hines III, James E.; Agu, Ogad A.; Deere, Curtistine J.; Fronczek, Frank R.; Uppu, Rao M.","N-(4-Methoxy-3-nitrophenyl)acetamide","IUCrData","2023","8","4","","","10.1107/S2414314623002985","","","1.54184","CuKα","","0.073","0.0588","","","0.1659","0.1762","","","","","","1.075","","","","has coordinates,has disorder","282413","2023-04-05","11:42:17","" "1568798","22.2542","0.0005","13.9368","0.0004","11.6414","0.0003","90","","108.465","0.001","90","","3424.72","0.15","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H48 Bi Br2 N3 Si2 -","- C30 H48 Bi Br2 N3 Si2 -","- C120 H192 Bi4 Br8 N12 Si8 -","4","0.5","","Hannah, Tyler J.; McCarvell, W. Michael; Kirsch, Tamina; Bedard, Joseph; Hynes, Toren; Mayho, Jacqueline; Bamford, Karlee L.; Vos, Cyler W.; Kozak, Christopher M.; George, Tanner; Masuda, Jason D.; Chitnis, S. S.","Planar bismuth triamides: a tunable platform for main group Lewis acidity and polymerization catalysis","Chemical Science","2023","14","17","4549","4563","10.1039/D3SC00917C","","","1.54178","CuKα","","0.1586","0.1511","","","0.386","0.4076","","","","","","1.842","","","","has coordinates","283144","2023-05-05","00:45:47","" "1568799","9.6987","0.0008","11.0671","0.0009","13.5493","0.0012","109.747","0.003","92.089","0.003","104.352","0.003","1314.5","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 Bi2 Br4 N6 Si4 -","- C36 H48 Bi2 Br4 N6 Si4 -","- C36 H48 Bi2 Br4 N6 Si4 -","1","0.5","","Hannah, Tyler J.; McCarvell, W. Michael; Kirsch, Tamina; Bedard, Joseph; Hynes, Toren; Mayho, Jacqueline; Bamford, Karlee L.; Vos, Cyler W.; Kozak, Christopher M.; George, Tanner; Masuda, Jason D.; Chitnis, S. S.","Planar bismuth triamides: a tunable platform for main group Lewis acidity and polymerization catalysis","Chemical Science","2023","14","17","4549","4563","10.1039/D3SC00917C","","","1.54178","CuKα","","0.0756","0.066","","","0.1736","0.184","","","","","","1.024","","","","has coordinates","283144","2023-05-05","00:45:47","" "1568800","11.0336","0.0014","12.7111","0.0018","17.108","0.002","81.082","0.006","79.522","0.005","65.058","0.005","2131.1","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H57 Bi N3 O4 S2 -","- C45 H57 Bi N3 O4 S2 -","- C90 H114 Bi2 N6 O8 S4 -","2","1","","Hannah, Tyler J.; McCarvell, W. Michael; Kirsch, Tamina; Bedard, Joseph; Hynes, Toren; Mayho, Jacqueline; Bamford, Karlee L.; Vos, Cyler W.; Kozak, Christopher M.; George, Tanner; Masuda, Jason D.; Chitnis, S. S.","Planar bismuth triamides: a tunable platform for main group Lewis acidity and polymerization catalysis","Chemical Science","2023","14","17","4549","4563","10.1039/D3SC00917C","","","0.71073","MoKα","","0.072","0.0503","","","0.1146","0.1335","","","","","","1.115","","","","has coordinates","283144","2023-05-05","00:45:47","" "1568801","33.0206","0.001","10.3986","0.0003","29.787","0.0009","90","","90","","90","","10227.9","0.5","150","2","150","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C49 H75 Bi N5 O4 S2 -","- C49 H75 Bi N5 O4 S2 -","- C392 H600 Bi8 N40 O32 S16 -","8","1","","Hannah, Tyler J.; McCarvell, W. Michael; Kirsch, Tamina; Bedard, Joseph; Hynes, Toren; Mayho, Jacqueline; Bamford, Karlee L.; Vos, Cyler W.; Kozak, Christopher M.; George, Tanner; Masuda, Jason D.; Chitnis, S. S.","Planar bismuth triamides: a tunable platform for main group Lewis acidity and polymerization catalysis","Chemical Science","2023","14","17","4549","4563","10.1039/D3SC00917C","","","1.54178","CuKα","","0.0376","0.0319","","","0.0695","0.0755","","","","","","1.102","","","","has coordinates,has disorder","283144","2023-05-05","00:45:47","" "1568802","16.4085","0.0016","18.924","0.0019","19.8569","0.0019","83.424","0.004","89.804","0.004","66.363","0.004","5605.3","1","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C112 H132 Bi2 Br4 N8 O8 S4 -","- C100 H120 Bi2 Br4 N8 O8 S4 -","- C200 H240 Bi4 Br8 N16 O16 S8 -","2","1","","Hannah, Tyler J.; McCarvell, W. Michael; Kirsch, Tamina; Bedard, Joseph; Hynes, Toren; Mayho, Jacqueline; Bamford, Karlee L.; Vos, Cyler W.; Kozak, Christopher M.; George, Tanner; Masuda, Jason D.; Chitnis, S. S.","Planar bismuth triamides: a tunable platform for main group Lewis acidity and polymerization catalysis","Chemical Science","2023","14","17","4549","4563","10.1039/D3SC00917C","","","0.71073","MoKα","","0.0776","0.0528","","","0.1372","0.1674","","","","","","1.111","","","","has coordinates","283144","2023-05-05","00:45:47","" "1568803","8.4705","0.0001","17.9094","0.0003","20.2338","0.0003","90","","90","","90","","3069.5","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[(NDipp)2(CMe)2(C5H3N)]Co(CCH)","","- C35 H44 Co N3 -","- C35 H44 Co N3 -","- C140 H176 Co4 N12 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","0.71073","MoKα","","0.0484","0.0364","","","0.0721","0.0769","","","","","","1.068","","","","has coordinates","283145","2023-05-05","00:47:27","" "1568804","10.4302","0.0001","24.0268","0.0002","12.3185","0.0001","90","","93.201","0.001","90","","3082.25","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[(NDipp)2(CMe)2(C5H3N)]Rh(CCH)","","- C35 H44 N3 Rh -","- C35 H44 N3 Rh -","- C140 H176 N12 Rh4 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0302","0.0292","","","0.0741","0.0748","","","","","","1.102","","","","has coordinates","283145","2023-05-05","00:47:30","" "1568805","12.9433","0.0002","15.1992","0.0003","20.7647","0.0003","76.385","0.002","79.845","0.002","87.162","0.002","3907.87","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","{[(NDipp)2(CMe)2(C5H3N)]Co(CNtBu)2}[BArF4]","","- C75 H73 B Co F24 N5 -","- C75 H73 B Co F24 N5 -","- C150 H146 B2 Co2 F48 N10 -","2","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0609","0.0522","","","0.1383","0.147","","","","","","1.044","","","","has coordinates,has disorder","283145","2023-05-05","00:47:30","" "1568806","11.7885","0.0001","16.6101","0.0002","18.5455","0.0002","90","","99.763","0.001","90","","3578.77","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Na(THF)[(NDipp)2(CMe)(CCH2)(C5H3N)]Co(CCH)","","- C39 H51 Co N3 Na O -","- C39 H51 Co N3 Na O -","- C156 H204 Co4 N12 Na4 O4 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.034","0.0301","","","0.0806","0.0831","","","","","","1.037","","","","has coordinates","283145","2023-05-05","00:47:30","" "1568807","8.4966","0.0001","17.9973","0.0002","20.3635","0.0002","90","","90","","90","","3113.9","0.06","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[(NDipp)2(CMe)2(C5H3N)]Rh(CP)","","- C34 H43 N3 P Rh -","- C34 H43 N3 P Rh -","- C136 H172 N12 P4 Rh4 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0225","0.0214","","","0.0562","0.0569","","","","","","1.068","","","","has coordinates","283145","2023-05-05","00:47:30","" "1568808","17.4943","0.0005","17.8665","0.0006","22.1081","0.0006","90","","104.528","0.003","90","","6689.2","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{[(NDipp)2(CMe)2(C5H3N)]Co(CO)}[BArF4]","","- C66 H55 B Co F24 N3 O -","- C66 H55 B Co F24 N3 O -","- C264 H220 B4 Co4 F96 N12 O4 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","0.71073","MoKα","","0.0924","0.0614","","","0.1531","0.166","","","","","","1.061","","","","has coordinates,has disorder","283145","2023-05-05","00:47:30","" "1568809","14.3644","0.0002","15.5532","0.0002","16.5724","0.0002","91.085","0.001","102.787","0.001","99.37","0.001","3556.66","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","{[(NDipp)2(CMe)2(C5H3N)]Co(CNtBu)}[BArF4]","","- C70 H64 B Co F24 N4 -","- C70 H64 B Co F24 N4 -","- C140 H128 B2 Co2 F48 N8 -","2","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0485","0.0458","","","0.1242","0.1266","","","","","","1.077","","","","has coordinates,has disorder","283145","2023-05-05","00:47:30","" "1568810","14.4106","0.0004","15.5555","0.0003","16.6974","0.0005","90.441","0.002","103.544","0.002","100.297","0.002","3575.45","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","{[(NDipp)2(CMe)2(C5H3N)]Rh(CNtBu)}[BArF4]","","- C70 H64 B F24 N4 Rh -","- C70 H64 B F24 N4 Rh -","- C140 H128 B2 F48 N8 Rh2 -","2","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0447","0.0417","","","0.1085","0.1117","","","","","","1.019","","","","has coordinates","283145","2023-05-05","00:47:30","" "1568811","17.514","0.0001","17.7479","0.0001","22.3688","0.0001","90","","104.161","0.001","90","","6741.76","0.07","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{[(NDipp)2(CMe)2(C5H3N)]Rh(CO)}[BArF4]","","- C66 H55 B F24 N3 O Rh -","- C66 H55 B F24 N3 O Rh -","- C264 H220 B4 F96 N12 O4 Rh4 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0459","0.0411","","","0.108","0.1128","","","","","","1.06","","","","has coordinates,has disorder","283145","2023-05-05","00:47:30","" "1568812","17.5964","0.0002","17.6516","0.0002","22.6324","0.0002","90","","104.783","0.001","90","","6797.04","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{[(NDipp)2(CMe)2(C5H3N)]Rh(C2H4)}[BArF4]","","- C67 H59 B F24 N3 Rh -","- C67 H59 B F24 N3 Rh -","- C268 H236 B4 F96 N12 Rh4 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0546","0.0477","","","0.1286","0.1366","","","","","","1.039","","","","has coordinates,has disorder","283145","2023-05-05","00:47:30","" "1568813","16.0874","0.0011","16.5041","0.001","17.143","0.0008","86.593","0.004","64.6","0.005","61.518","0.007","3553.1","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","[(NDipp)2(CMe)2(C5H3N)]RhMe","","- C37.25 H51.5 N3 Rh -","- C37.25 H51.5 N3 Rh -","- C149 H206 N12 Rh4 -","4","2","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0742","0.0574","","","0.149","0.1693","","","","","","1.031","","","","has coordinates,has disorder","283145","2023-05-05","00:47:30","" "1568814","17.3674","0.0001","29.7047","0.0002","23.9524","0.0001","90","","90","","90","","12356.9","0.12","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","{(NDipp)2(CMe)2(C5H3N)}RhCl*1.333THF*0.666pent","","- C41.666 H61.666 Cl N3 O1.333 Rh -","- C41.6667 H61.6667 Cl N3 O1.33333 Rh -","- C500 H740 Cl12 N36 O16 Rh12 -","12","1.5","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0415","0.038","","","0.0981","0.102","","","","","","1.036","","","","has coordinates","283145","2023-05-05","00:47:30","" "1568815","4.018","0.0002","7.9129","0.0003","12.2528","0.0005","84.363","0.003","87.988","0.004","84.405","0.004","385.71","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 S2 -","- C20 H14 S2 -","- C20 H14 S2 -","1","0.5","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.0403","0.0382","","","0.1016","0.1033","","","","","","1.059","","","","has coordinates","284926","2023-07-05","10:25:05","" "1568816","4.0524","0.0002","8.0222","0.0003","13.5176","0.0007","75.943","0.004","84.88","0.004","83.356","0.004","422.57","0.04","102","4","102","4","","","","","","","","3","P -1","-P 1","2","","","","- C22 H14 S2 -","- C22 H14 S2 -","- C22 H14 S2 -","1","0.5","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.0358","0.033","","","0.0904","0.0919","","","","","","1.103","","","","has coordinates","284926","2023-07-05","10:25:06","" "1568817","7.397","0.0001","9.822","0.0001","18.7581","0.0003","94.62","0.001","98.47","0.001","110.871","0.001","1246.41","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 O S -","- C14 H14 O S -","- C56 H56 O4 S4 -","4","2","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.033","0.0315","","","0.0833","0.0845","","","","","","1.048","","","","has coordinates,has disorder","284926","2023-07-05","10:25:06","" "1568818","3.8055","0.0001","25.5128","0.001","5.95","0.0002","90","","93.327","0.003","90","","576.71","0.03","103","4","103","4","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 N2 -","- C16 H8 N2 -","- C32 H16 N4 -","2","0.5","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.0586","0.0508","","","0.1408","0.1459","","","","","","1.107","","","","has coordinates","284926","2023-07-05","10:25:06","" "1568819","7.3018","0.0003","8.2369","0.0003","19.0284","0.0007","90","","100.137","0.004","90","","1126.58","0.08","111","16","111","16","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 S2 -","- C28 H22 S2 -","- C56 H44 S4 -","2","0.5","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.072","0.069","","","0.1974","0.1995","","","","","","1.082","","","","has coordinates,has disorder","284926","2023-07-05","10:25:06","" "1568820","16.2725","0.0002","5.9701","0.0001","23.8665","0.0003","90","","103.114","0.001","90","","2258.13","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","1","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.036","0.0342","","","0.0906","0.092","","","","","","1.07","","","","has coordinates","284926","2023-07-05","10:25:06","" "1568821","7.8557","0.0003","9.7053","0.0003","38.6997","0.0009","90","","90","","90","","2950.54","0.16","100.01","0.1","100.01","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C160 H96 N16 -","8","2","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.0448","0.0407","","","0.1097","0.1136","","","","","","1.057","","","","has coordinates","284926","2023-07-05","10:25:06","" "1568822","7.8154","0.0001","6.0042","0.0001","24.4944","0.0004","90","","98.117","0.002","90","","1137.89","0.03","100.15","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","","1.54184","CuKα","","0.0371","0.0332","","","0.0859","0.0885","","","","","","1.054","","","","has coordinates","284926","2023-07-05","10:25:06","" "1568823","9.1799","0.0001","6.9065","0.0001","20.6965","0.0002","90","","90","","90","","1312.18","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 N S -","- C17 H13 N S -","- C68 H52 N4 S4 -","4","1","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.0331","0.0317","","","0.0836","0.0855","","","","","","1.054","","","","has coordinates","284926","2023-07-05","10:25:06","" "1568824","8.436","0.002","10.75","0.003","11.338","0.003","113.913","0.005","97.392","0.004","98.975","0.005","907.2","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","[3-Methoxy-5-(methoxycarbonyl)isoxazol-4-yl](4-methoxyphenyl)iodonium 2,2,2-trifluoroacetate","","- C15 H13 F3 I N O7 -","- C15 H13 F3 I N O7 -","- C30 H26 F6 I2 N2 O14 -","2","1","TK4090","Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","[3-Methoxy-5-(methoxycarbonyl)isoxazol-4-yl](4-methoxyphenyl)iodonium 2,2,2-trifluoroacetate","IUCrData","2023","8","4","","","10.1107/S2414314623003000","","x-ray","0.71073","MoKα","","0.0925","0.0601","","","0.1307","0.1445","","","","","","1.042","","","","has coordinates","282499","2023-04-07","02:21:48","" "1568825","10.7366","0.0003","9.5341","0.0004","22.6716","0.0007","90","","91.603","0.002","90","","2319.84","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{N-[(4-Methoxy-2-oxidophenyl)(phenyl)methylidene]glycinato}diphenylsilicon(IV)","","- C28 H23 N O4 Si -","- C28 H23 N O4 Si -","- C112 H92 N4 O16 Si4 -","4","1","PK4039","Böhme, Uwe; Fels, Sabine","{N-[(4-Methoxy-2-oxidophenyl)(phenyl)methylidene]glycinato}diphenylsilicon(IV)","IUCrData","2023","8","4","","","10.1107/S2414314623003061","","","0.71073","MoKα","","0.0432","0.0365","","","0.0892","0.0947","","","","","","1.07","","","","has coordinates","282500","2023-04-07","02:22:18","" "1568826","19.3447","0.0015","19.3447","0.0015","10.3928","0.001","90","","90","","90","","3889.2","0.6","100","","100","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C8 H17 Li O2 -","- C8 H17 Li O2 -","- C128 H272 Li16 O32 -","16","1","","Deglmann, Peter; Machleit, Sara; Gallizioli, Cesare; Rupf, Susanne M.; Plajer, Alex J.","Lithium catalysed sequence selective ring opening terpolymerisation: a mechanistic study","Catalysis Science & Technology","2023","13","10","2937","2945","10.1039/D3CY00301A","","","0.71073","MoKα","","0.0649","0.0511","","","0.1476","0.1601","","","","","","1.033","","","","has coordinates,has disorder","284160","2023-06-05","03:20:35","" "1568827","8.1843","0.0017","11.066","0.003","13.037","0.003","113.372","0.007","102.438","0.007","98.398","0.008","1022.5","0.4","100","","100","","","","","","","","THF","5","P -1","-P 1","2","","","","- C8 H17 Li O S -","- C8 H17 Li O S -","- C32 H68 Li4 O4 S4 -","4","2","","Deglmann, Peter; Machleit, Sara; Gallizioli, Cesare; Rupf, Susanne M.; Plajer, Alex J.","Lithium catalysed sequence selective ring opening terpolymerisation: a mechanistic study","Catalysis Science & Technology","2023","13","10","2937","2945","10.1039/D3CY00301A","","","0.71073","MoKα","","0.0772","0.0535","","","0.1133","0.1221","","","","","","1.062","","","","has coordinates,has disorder","284160","2023-06-05","03:20:39","" "1568828","13.3846","0.0008","6.8793","0.0004","14.7878","0.0008","90","","103.033","0.003","90","","1326.54","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Abel-Snape, Xavier; Johnson, Colton E.; Imbriaco, Bianca; Lautens, Mark","Synthesis of spirooxindoles via formal acetylene insertion into a common palladacycle intermediate.","Chemical science","2023","14","21","5650","5655","10.1039/d3sc01072d","","","1.54178","CuKα","","0.0384","0.0346","","","0.0881","0.09","","","","","","1.041","","","","has coordinates","284249","2023-06-05","04:14:43","" "1568829","15.0119","0.0006","9.3425","0.0003","19.524","0.0008","90","","99.233","0.003","90","","2702.74","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Cl N O6 -","- C32 H26 Cl N O6 -","- C128 H104 Cl4 N4 O24 -","4","1","","Abel-Snape, Xavier; Johnson, Colton E.; Imbriaco, Bianca; Lautens, Mark","Synthesis of spirooxindoles via formal acetylene insertion into a common palladacycle intermediate.","Chemical science","2023","14","21","5650","5655","10.1039/d3sc01072d","","","1.54178","CuKα","","0.0875","0.0523","","","0.1228","0.1426","","","","","","1.023","","","","has coordinates,has disorder","284249","2023-06-05","04:14:46","" "1568830","15.085","0.003","19.98","0.004","27.634","0.006","90","","96.34","0.03","90","","8278","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C129 H162 Ag20 F30 N2 O24 S10 -","- C129 H162 Ag20 F30 N2 O24 S10 -","- C258 H324 Ag40 F60 N4 O48 S20 -","2","0.5","","Biswas, Sourav; Das, Anish Kumar; Sardar, Avirup; Manna, Surya Sekhar; Mondal, Pradip Kumar; Polentarutti, Maurizio; Pathak, Biswarup; Mandal, Sukhendu","Luminescent [CO2@Ag20(SAdm)10(CF3COO)10(DMA)2] nanocluster: synthetic strategy and its implication towards white light emission.","Nanoscale","2023","15","18","8377","8386","10.1039/d3nr01107k","","","0.6199","Synchrotron","","0.1625","0.1333","","","0.3906","0.4158","","","","","","1.517","","","","has coordinates,has disorder","284287","2023-06-05","04:39:40","" "1568831","9.5629","0.0003","15.6651","0.0005","16.4537","0.0004","94.212","0.002","100.25","0.002","100.06","0.003","2374.26","0.12","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H31 Au N2 -","- C27 H31 Au N2 -","- C108 H124 Au4 N8 -","4","2","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0577","0.0485","","","0.1209","0.1298","","","","","","1.0687","","","","has coordinates","283148","2023-05-05","00:53:50","" "1568832","16.0425","0.0001","12.1872","0.0001","20.8413","0.0002","90","","97.682","0.001","90","","4038.18","0.06","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Au F10 I2 N3 -","- C38 H30 Au F10 I2 N3 -","- C152 H120 Au4 F40 I8 N12 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0367","0.0351","","","0.0881","0.089","","","","","","1.0399","","","","has coordinates,has disorder","283148","2023-05-05","00:53:50","" "1568833","16.7868","0.0003","12.3101","0.0002","17.1432","0.0003","90","","103.35","0.002","90","","3446.87","0.11","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Au F4 I2 N3 -","- C32 H30 Au F4 I2 N3 -","- C128 H120 Au4 F16 I8 N12 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0497","0.0477","","","0.1317","0.134","","","","","","1.0204","","","","has coordinates","283148","2023-05-05","00:53:50","" "1568834","10.9926","0.0002","16.4651","0.0003","18.3046","0.0003","90","","94.072","0.002","90","","3304.66","0.1","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H45 Au Cl2 N2 -","- C34 H45 Au Cl2 N2 -","- C136 H180 Au4 Cl8 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0498","0.0441","","","0.1163","0.1212","","","","","","1.0118","","","","has coordinates","283148","2023-05-05","00:53:50","" "1568835","8.2965","0.0002","11.9629","0.0003","16.0732","0.0003","89.314","0.002","78.497","0.002","87.861","0.002","1562.12","0.06","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C35 H39 Au N3 -","- C35 H39 Au N3 -","- C70 H78 Au2 N6 -","2","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0461","0.0444","","","0.1145","0.116","","","","","","1.0401","","","","has coordinates","283148","2023-05-05","00:53:50","" "1568836","11.7863","0.0001","15.7956","0.0001","14.4268","0.0001","90","","94.919","0.001","90","","2675.97","0.03","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 Au N2 -","- C30 H37 Au N2 -","- C120 H148 Au4 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0297","0.0271","","","0.067","0.0686","","","","","","1.031","","","","has coordinates","283148","2023-05-05","00:53:50","" "1568837","16.69467","0.00019","12.23706","0.00011","16.78001","0.00016","90","","104.225","0.0011","90","","3322.94","0.06","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Au F4 I2 N3 -","- C32 H30 Au F4 I2 N3 -","- C128 H120 Au4 F16 I8 N12 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0376","0.0371","","","0.0958","0.0964","","","","","","1.0498","","","","has coordinates","283148","2023-05-05","00:53:50","" "1568838","17.4227","0.0001","14.0371","0.0001","43.5602","0.0004","90","","90","","90","","10653.3","0.14","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H35 Au N2 -","- C29 H35 Au N2 -","- C464 H560 Au16 N32 -","16","2","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0412","0.0351","","","0.0883","0.0924","","","","","","1.045","","","","has coordinates","283148","2023-05-05","00:53:50","" "1568839","16.509","0.0003","12.9598","0.0002","16.9009","0.0002","90","","105.088","0.002","90","","3491.35","0.1","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H35 Au F4 I2 N2 -","- C35 H35 Au F4 I2 N2 -","- C140 H140 Au4 F16 I8 N8 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0361","0.0345","","","0.0884","0.0898","","","","","","1.0288","","","","has coordinates","283148","2023-05-05","00:53:50","" "1568840","13.0739","0.0001","14.95","0.0001","20.4687","0.0002","90","","104.803","0.001","90","","3867.92","0.06","133","","133","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H43 Au F4 I2 N2 -","- C39 H43 Au F4 I2 N2 -","- C156 H172 Au4 F16 I8 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0301","0.0279","","","0.0737","0.0753","","","","","","1.03","","","","has coordinates","283148","2023-05-05","00:53:50","" "1568841","9.6128","0.0005","10.8509","0.0003","17.3973","0.0004","88.55","0.002","79.264","0.003","67.884","0.004","1649.72","0.12","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H35 Au F5 I N2 -","- C35 H35 Au F5 I N2 -","- C70 H70 Au2 F10 I2 N4 -","2","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0535","0.0501","","","0.1379","0.1418","","","","","","1.0264","","","","has coordinates","283148","2023-05-05","00:53:50","" "1568842","16.3119","0.0002","13.8965","0.0001","16.6717","0.0002","90","","106.95","0.001","90","","3614.95","0.07","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H37 Au F4 I2 N2 -","- C36 H37 Au F4 I2 N2 -","- C144 H148 Au4 F16 I8 N8 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0341","0.0337","","","0.0882","0.0887","","","","","","1.0411","","","","has coordinates,has disorder","283148","2023-05-05","00:53:50","" "1568843","18.47467","0.00018","10.43735","0.00009","17.53427","0.00017","90","","107.246","0.001","90","","3229.06","0.06","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Au F5 I N2 -","- C33 H31 Au F5 I N2 -","- C132 H124 Au4 F20 I4 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0423","0.0367","","","0.1","0.1045","","","","","","0.9977","","","","has coordinates","283148","2023-05-05","00:53:50","" "1568844","16.4431","0.0001","13.9767","0.0001","16.9424","0.0001","90","","105.866","0.001","90","","3745.37","0.05","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H37 Au F4 I2 N2 -","- C36 H37 Au F4 I2 N2 -","- C144 H148 Au4 F16 I8 N8 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0385","0.0378","","","0.0981","0.0991","","","","","","1.0385","","","","has coordinates,has disorder","283148","2023-05-05","00:53:50","" "1568845","11.32485","0.00005","13.6215","0.00007","23.47007","0.00011","90","","96.4045","0.0004","90","","3597.93","0.03","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 Au F5 I N2 -","- C36 H37 Au F5 I N2 -","- C144 H148 Au4 F20 I4 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0244","0.0234","","","0.0584","0.059","","","","","","1.0468","","","","has coordinates","283148","2023-05-05","00:53:50","" "1568846","10.3982","0.0001","10.703","0.0001","17.5621","0.0002","74.354","0.001","81.135","0.001","79.723","0.001","1840.28","0.03","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H33 Au Cl2 F4 I2 N2 -","- C34 H33 Au Cl2 F4 I2 N2 -","- C68 H66 Au2 Cl4 F8 I4 N4 -","2","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0479","0.0456","","","0.1153","0.1174","","","","","","1.0062","","","","has coordinates","283148","2023-05-05","00:53:50","" "1568847","18.3269","0.0002","10.2984","0.0001","17.2337","0.0001","90","","106.86","0.001","90","","3112.84","0.05","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Au F5 I N2 -","- C33 H31 Au F5 I N2 -","- C132 H124 Au4 F20 I4 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0367","0.0344","","","0.0956","0.0977","","","","","","1.0305","","","","has coordinates,has disorder","283148","2023-05-05","00:53:50","" "1568848","10.7939","0.0001","15.2361","0.0001","13.1834","0.0001","90","","111.731","0.001","90","","2014.02","0.03","293","","293","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C39 H43 Au F4 I2 N2 -","- C39 H43 Au F4 I2 N2 -","- C78 H86 Au2 F8 I4 N4 -","2","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0389","0.037","","","0.0992","0.101","","","","","","1.0208","","","","has coordinates","283148","2023-05-05","00:53:50","" "1568849","16.66","0.0001","13.0052","0.0001","17.1537","0.0001","90","","104.197","0.001","90","","3603.12","0.04","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H35 Au F4 I2 N2 -","- C35 H35 Au F4 I2 N2 -","- C140 H140 Au4 F16 I8 N8 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0233","0.0225","","","0.057","0.0575","","","","","","1.0512","","","","has coordinates","283148","2023-05-05","00:53:50","" "1568850","9.7941","0.0004","10.9878","0.0004","17.6423","0.0003","88.379","0.002","78.949","0.003","67.222","0.004","1715.85","0.11","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H35 Au F5 I N2 -","- C35 H35 Au F5 I N2 -","- C70 H70 Au2 F10 I2 N4 -","2","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0667","0.0608","","","0.1701","0.1768","","","","","","0.9977","","","","has coordinates","283148","2023-05-05","00:53:50","" "1568851","13.0387","0.0003","14.9567","0.0002","20.4774","0.0004","90","","104.695","0.002","90","","3862.79","0.13","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H43 Au F4 I2 N2 -","- C39 H43 Au F4 I2 N2 -","- C156 H172 Au4 F16 I8 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0607","0.0514","","","0.1349","0.1426","","","","","","1.0198","","","","has coordinates","283148","2023-05-05","00:53:50","" "1568852","11.4633","0.00005","13.75475","0.00006","23.61408","0.0001","90","","96.0965","0.0004","90","","3702.29","0.03","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 Au F5 I N2 -","- C36 H37 Au F5 I N2 -","- C144 H148 Au4 F20 I4 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0284","0.0261","","","0.0687","0.0702","","","","","","1.0238","","","","has coordinates","283148","2023-05-05","00:53:50","" "1568853","10.3331","0.0002","10.6351","0.0002","17.2876","0.0003","74.096","0.001","80.819","0.001","78.995","0.001","1781.87","0.06","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H33 Au Cl2 F4 I2 N2 -","- C34 H33 Au Cl2 F4 I2 N2 -","- C68 H66 Au2 Cl4 F8 I4 N4 -","2","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0406","0.0399","","","0.1033","0.1041","","","","","","1.0407","","","","has coordinates,has disorder","283148","2023-05-05","00:53:50","" "1568854","15.9833","0.0002","12.141","0.0001","20.265","0.0002","90","","97.592","0.001","90","","3898.02","0.07","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Au F10 I2 N3 -","- C38 H30 Au F10 I2 N3 -","- C152 H120 Au4 F40 I8 N12 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0321","0.0314","","","0.0801","0.0807","","","","","","1.0593","","","","has coordinates,has disorder","283148","2023-05-05","00:53:50","" "1568855","11.6468","0.0008","16.5589","0.0012","21.055","0.0017","90","","90","","90","","4060.6","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H46 N2 O8 S2 Si2 -","- C38 H46 N2 O8 S2 Si2 -","- C152 H184 N8 O32 S8 Si8 -","4","1","","Feng, Lili; Chen, Xiaofan; Guo, Ning; Zhou, Yuqiao; Lin, Lili; Cao, Weidi; Feng, Xiaoming","Visible-light-induced chemo-, diastereo- and enantioselective α-C(sp3)–H functionalization of alkyl silanes","Chemical Science","2023","14","17","4516","4522","10.1039/D3SC00919J","","","0.71073","MoKα","","0.0345","0.0328","","","0.0749","0.0759","","","","","","1.103","","","","has coordinates","283193","2023-05-05","01:15:13","" "1568856","9.6431","0.0011","10.8092","0.0015","13.5182","0.0016","102.572","0.003","96.872","0.002","102.262","0.003","1323.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 Al N2 O3 -","- C27 H35 Al N2 O3 -","- C54 H70 Al2 N4 O6 -","2","1","","Peng, Zengping; Ahmed, Hassan; Xu, Guangqiang; Guo, Xuanhua; Yang, Rulin; Sun, Hongguang; Wang, Qinggang","Exploring ligand substituent effects on stereoselective polymerization of racemic lactide using aluminium salen-type complexes","Polymer Chemistry","2023","14","18","2174","2180","10.1039/D3PY00228D","","","0.71073","MoKα","","0.1962","0.121","","","0.312","0.3414","","","","","","1.275","","","","has coordinates,has disorder","284345","2023-06-05","05:02:19","" "1568857","9.6879","0.0008","11.1191","0.0011","14.2499","0.0013","102.047","0.003","103.197","0.003","96.808","0.002","1439.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H39 Al N2 O3 -","- C29 H39 Al N2 O3 -","- C58 H78 Al2 N4 O6 -","2","1","","Peng, Zengping; Ahmed, Hassan; Xu, Guangqiang; Guo, Xuanhua; Yang, Rulin; Sun, Hongguang; Wang, Qinggang","Exploring ligand substituent effects on stereoselective polymerization of racemic lactide using aluminium salen-type complexes","Polymer Chemistry","2023","14","18","2174","2180","10.1039/D3PY00228D","","","0.71073","MoKα","","0.1655","0.1123","","","0.2835","0.3078","","","","","","1.08","","","","has coordinates,has disorder","284345","2023-06-05","05:02:21","" "1568858","11.4014","0.0005","16.6771","0.0007","22.4823","0.0009","99.153","0.002","96.453","0.002","91.012","0.002","4190.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C104 H96 Cl2 D6 O3 P4 Rh2 -","- C104 H96 Cl2 D6 O3 P4 Rh2 -","- C208 H192 Cl4 D12 O6 P8 Rh4 -","2","1","","Bush, Nancy G.; Assefa, Mikiyas K.; Bac, Selin; Mallikarjun Sharada, Shaama; Fieser, Megan E.","Controlling selectivity for dechlorination of poly(vinyl chloride) with (xantphos)RhCl.","Materials horizons","2023","10","6","2047","2052","10.1039/d2mh01293f","","","1.54178","CuKα","","0.0294","0.0276","","","0.0697","0.0711","","","","","","1.048","","","","has coordinates","284982","2023-07-05","11:05:49","" "1568859","9.848","0.0004","11.6412","0.0005","14.0807","0.0006","71.591","0.004","74.372","0.004","75.139","0.004","1448.83","0.11","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H26 N3 O P Pd S -","- C32 H26 N3 O P Pd S -","- C64 H52 N6 O2 P2 Pd2 S2 -","2","1","","Clinton, Savarimuthu Selvan; Ramesh, Rengan; Malecki, Jan Grzegorz","Orthometallated Pd(ii) C^N^S pincer complex catalyzed sustainable synthesis of bis(indolyl)methanes via acceptorless dehydrogenative coupling of alcohols","Catalysis Science & Technology","2023","13","11","3358","3365","10.1039/D3CY00333G","","x-ray","0.71073","MoKα","","0.0653","0.0387","","","0.0761","0.0887","","","","","","1.044","","","","has coordinates","284827","2023-07-05","08:25:09","" "1568860","12.4506","0.0006","12.976","0.0006","16.2431","0.0006","74.198","0.004","73.222","0.004","63.566","0.004","2217.94","0.19","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H160 Ca2 N4 O2 -","- C88 H146 Ca2 N4 O2 -","- C88 H146 Ca2 N4 O2 -","1","0.5","","Mai, Jonathan; Rösch, Bastian; Patel, Neha; Langer, Jens; Harder, Sjoerd","On the existence of low-valent magnesium-calcium complexes.","Chemical science","2023","14","18","4724","4734","10.1039/d3sc00909b","","x-ray","1.54184","CuKα","","0.0464","0.0439","","","0.1163","0.1194","","","","","","1.036","","","","has coordinates,has disorder","284239","2023-06-05","04:09:58","" "1568861","12.38232","0.00018","28.8484","0.0003","21.8547","0.0002","90","","93.1984","0.0012","90","","7794.56","0.16","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H134 Ca Mg N4 -","- C90 H134 Ca Mg N4 -","- C360 H536 Ca4 Mg4 N16 -","4","1","","Mai, Jonathan; Rösch, Bastian; Patel, Neha; Langer, Jens; Harder, Sjoerd","On the existence of low-valent magnesium-calcium complexes.","Chemical science","2023","14","18","4724","4734","10.1039/d3sc00909b","","x-ray","1.54184","CuKα","","0.044","0.0362","","","0.0879","0.0928","","","","","","1.018","","","","has coordinates,has disorder","284239","2023-06-05","04:09:58","" "1568862","29.7787","0.0003","16.8207","0.0002","14.94992","0.00017","90","","90.0659","0.001","90","","7488.39","0.14","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H122 Ca2 N4 -","- C84 H122 Ca2 N4 -","- C336 H488 Ca8 N16 -","4","0.5","","Mai, Jonathan; Rösch, Bastian; Patel, Neha; Langer, Jens; Harder, Sjoerd","On the existence of low-valent magnesium-calcium complexes.","Chemical science","2023","14","18","4724","4734","10.1039/d3sc00909b","","x-ray","1.54184","CuKα","","0.0377","0.035","","","0.089","0.0917","","","","","","1.041","","","","has coordinates","284239","2023-06-05","04:09:58","" "1568863","21.5514","0.0003","13.0869","0.0002","29.0951","0.0004","90","","90","","90","","8206","0.2","100","0.3","100","0.3","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C94 H136 Ca Mg N4 -","- C94 H136 Ca Mg N4 -","- C376 H544 Ca4 Mg4 N16 -","4","1","","Mai, Jonathan; Rösch, Bastian; Patel, Neha; Langer, Jens; Harder, Sjoerd","On the existence of low-valent magnesium-calcium complexes.","Chemical science","2023","14","18","4724","4734","10.1039/d3sc00909b","","x-ray","1.54184","CuKα","","0.0591","0.0523","","","0.1356","0.1425","","","","","","1.02","","","","has coordinates,has disorder","284239","2023-06-05","04:09:58","" "1568864","47.9193","0.0006","12.7914","0.0002","27.3845","0.0004","90","","98.7696","0.0012","90","","16589.2","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C92.85 H135.3 Ca2 N4 -","- C92.8432 H135.301 Ca2 N4 -","- C742.746 H1082.41 Ca16 N32 -","8","1","","Mai, Jonathan; Rösch, Bastian; Patel, Neha; Langer, Jens; Harder, Sjoerd","On the existence of low-valent magnesium-calcium complexes.","Chemical science","2023","14","18","4724","4734","10.1039/d3sc00909b","","","1.54184","CuKα","","0.0457","0.0392","","","0.0974","0.1023","","","","","","1.041","","","","has coordinates,has disorder","284239","2023-06-05","04:09:58","" "1568865","5.6498","0.0002","9.6522","0.0003","22.2488","0.0006","90","","92.285","0.002","90","","1212.33","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H11 F21 O -","- C21 H11 F21 O -","- C42 H22 F42 O2 -","2","1","","Balletti, Matteo; Wachsmuth, Tommy; Di Sabato, Antonio; Hartley, Will C.; Melchiorre, Paolo","Enantioselective catalytic remote perfluoroalkylation of α-branched enals driven by light.","Chemical science","2023","14","18","4923","4927","10.1039/d3sc01347b","","","1.54178","CuKα","","0.0476","0.0444","","","0.1162","0.1184","","","","","","1.07","","","","has coordinates","284237","2023-06-05","04:08:08","" "1568866","9.33514","0.00008","11.39118","0.00009","13.23961","0.00011","90","","90","","90","","1407.88","0.02","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","Trimethylphosphine oxide dihydrate","(Dimethylphosphoryl)methane dihydrate","","- C3 H13 O3 P -","- C3 H13 O3 P -","- C24 H104 O24 P8 -","8","1","HB4428","Urlep, Matic; Cerkovnik, Janez; Lozinšek, Matic","Trimethylphosphine oxide dihydrate","IUCrData","2023","8","4","","","10.1107/S2414314623003140","","x-ray","1.54184","CuKα","","0.0212","0.0208","","","0.0571","0.0574","","","","","","1.042","","","","has coordinates","282654","2023-04-15","02:01:15","" "1568867","7.9377","0.001","9.5122","0.0012","14.8507","0.0019","97.129","0.003","98.579","0.003","105.788","0.003","1050.8","0.2","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H19 B N2 O2 -","- C28 H19 B N2 O2 -","- C56 H38 B2 N4 O4 -","2","1","","Zhang, Xue; Sukhanov, Andrey A.; Liu, Xi; Taddei, Maria; Zhao, Jianzhang; Harriman, Anthony; Voronkova, Violeta K.; Wan, Yan; Dick, Bernhard; Di Donato, Mariangela","Origin of intersystem crossing in highly distorted organic molecules: a case study with red light-absorbing N,N,O,O-boron-chelated Bodipys.","Chemical science","2023","14","19","5014","5027","10.1039/d3sc00854a","","","0.71073","MoKα","","0.1459","0.0659","","","0.1116","0.1362","","","","","","1.025","","","","has coordinates","284215","2023-06-05","03:57:59","" "1568868","9.974","0.005","13.582","0.006","14.781","0.007","94.4","0.006","104.251","0.005","106.946","0.005","1832.5","1.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H50 N4 Pt -","- C42 H50 N4 Pt -","- C84 H100 N8 Pt2 -","2","1","","Nguyen, Yennie H.; Dang, Vinh Q.; Soares, João Vitor; Wu, Judy I.; Teets, Thomas S.","Efficient blue-phosphorescent trans-bis(acyclic diaminocarbene) platinum(ii) acetylide complexes.","Chemical science","2023","14","18","4857","4862","10.1039/d3sc00712j","","","0.71073","MoKα","","0.0284","0.0256","","","0.0686","0.0696","","","","","","1.136","","","","has coordinates","284233","2023-06-05","04:06:49","" "1568869","9.2266","0.0016","9.97","0.0018","19.841","0.004","84.973","0.002","78.024","0.002","64.618","0.002","1613.1","0.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H42 N4 Pt -","- C38 H42 N4 Pt -","- C76 H84 N8 Pt2 -","2","1","","Nguyen, Yennie H.; Dang, Vinh Q.; Soares, João Vitor; Wu, Judy I.; Teets, Thomas S.","Efficient blue-phosphorescent trans-bis(acyclic diaminocarbene) platinum(ii) acetylide complexes.","Chemical science","2023","14","18","4857","4862","10.1039/d3sc00712j","","","0.71073","MoKα","","0.0439","0.0302","","","0.0544","0.0601","","","","","","1.044","","","","has coordinates","284233","2023-06-05","04:06:58","" "1568870","20.5768","0.0007","16.8498","0.0004","22.4111","0.0008","90","","102.858","0.003","90","","7575.4","0.4","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H79 Cl Fe Ga N4 P5 Si -","- C54 H79 Cl Fe Ga N4 P5 Si -","- C216 H316 Cl4 Fe4 Ga4 N16 P20 Si4 -","4","1","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.0776","0.0633","","","0.1505","0.1587","","","","","","1.045","","","","has coordinates","284238","2023-06-05","04:09:24","" "1568871","10.233","0.002","12.188","0.002","18.128","0.006","83.16","0.02","75.84","0.02","74.802","0.016","2111.9","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H64 Cl Ga Ge N4 -","- C44 H64 Cl Ga Ge N4 -","- C88 H128 Cl2 Ga2 Ge2 N8 -","2","1","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.05","0.043","","","0.1136","0.1192","","","","","","1.053","","","","has coordinates","284238","2023-06-05","04:09:24","" "1568872","26.1402","0.0008","17.811","0.0004","27.9689","0.0006","90","","90","","90","","13021.8","0.6","100","","100","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H93 Cl Fe Ga N4 P5 Si -","- C60 H93 Cl Fe Ga N4 P5 Si -","- C480 H744 Cl8 Fe8 Ga8 N32 P40 Si8 -","8","1","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.0638","0.0399","","","0.0934","0.1035","","","","","","1.022","","","","has coordinates","284238","2023-06-05","04:09:24","" "1568873","13.5496","0.0007","15.458","0.0008","16.9929","0.0009","91.392","0.004","107.271","0.004","110.499","0.004","3150.6","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C57 H86 As5 Cl Fe Ga N4 Si -","- C57 H86 As5 Cl Fe Ga N4 Si -","- C114 H172 As10 Cl2 Fe2 Ga2 N8 Si2 -","2","1","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.0567","0.0343","","","0.0761","0.0825","","","","","","1.028","","","","has coordinates,has disorder","284238","2023-06-05","04:09:24","" "1568874","15.3662","0.001","17.8212","0.0014","23.9686","0.0014","90","","106.448","0.005","90","","6295.1","0.8","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C57 H86 As5 Cl Fe Ga N4 Si -","- C57 H86 As5 Cl Fe Ga N4 Si -","- C228 H344 As20 Cl4 Fe4 Ga4 N16 Si4 -","4","1","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.0463","0.0309","","","0.0602","0.0658","","","","","","1.052","","","","has coordinates,has disorder","284238","2023-06-05","04:09:24","" "1568875","37.8546","0.0006","16.4222","0.0002","19.9888","0.0004","90","","96.796","0.001","90","","12338.8","0.3","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C57 H79 As5 Cl D3 Fe Ga Ge N4 -","- C57 H79 As5 Cl D3 Fe Ga Ge N4 -","- C456 H632 As40 Cl8 D24 Fe8 Ga8 Ge8 N32 -","8","2","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.0886","0.0599","","","0.1445","0.1671","","","","","","1.056","","","","has coordinates,has disorder","284238","2023-06-05","04:09:24","" "1568876","37.7246","0.0008","16.1228","0.0002","19.9295","0.0004","90","","96.801","0.002","90","","12036.3","0.4","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C57 H79 Cl D3 Fe Ga N4 P5 Si -","- C57 H82 Cl Fe1.0003 Ga N4 P5.0015 Si -","- C456 H656 Cl8 Fe8.0024 Ga8 N32 P40.012 Si8 -","8","2","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.1118","0.0612","","","0.1182","0.1395","","","","","","1.055","","","","has coordinates,has disorder","284238","2023-06-05","04:09:24","" "1568877","20.8659","0.0013","11.4511","0.0009","8.7949","0.0005","90","","95.531","0.006","90","","2091.6","0.2","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N4 O2 -","- C26 H24 N4 O2 -","- C104 H96 N16 O8 -","4","1","","Gong, Jianye; Liu, Lingxiu; Li, Chunbin; He, Yumao; Yu, Jia; Zhang, Ying; Feng, Lina; Jiang, Guoyu; Wang, Jianguo; Tang, Ben Zhong","Oxidization enhances type I ROS generation of AIE-active zwitterionic photosensitizers for photodynamic killing of drug-resistant bacteria.","Chemical science","2023","14","18","4863","4871","10.1039/d3sc00980g","","x-ray","0.71073","MoKα","","0.0903","0.0719","","","0.1739","0.1899","","","","","","1.067","","","","has coordinates","284234","2023-06-05","04:07:08","" "1568878","21.2739","0.0012","11.0135","0.0008","8.6873","0.0005","90","","95.211","0.005","90","","2027","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N4 O -","- C26 H24 N4 O -","- C104 H96 N16 O4 -","4","1","","Gong, Jianye; Liu, Lingxiu; Li, Chunbin; He, Yumao; Yu, Jia; Zhang, Ying; Feng, Lina; Jiang, Guoyu; Wang, Jianguo; Tang, Ben Zhong","Oxidization enhances type I ROS generation of AIE-active zwitterionic photosensitizers for photodynamic killing of drug-resistant bacteria.","Chemical science","2023","14","18","4863","4871","10.1039/d3sc00980g","","x-ray","0.71073","MoKα","","0.0505","0.042","","","0.0975","0.1039","","","","","","1.05","","","","has coordinates","284234","2023-06-05","04:07:09","" "1568879","10.744","0.002","6.4582","0.0012","26.975","0.005","90","","90.886","0.006","90","","1871.5","0.6","276","2","276","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N -","- C27 H19 N -","- C108 H76 N4 -","4","1","","Nan, Jiang; Huang, Guanjie; Liu, Shilei; Wang, Jing; Ma, Yangmin; Luan, Xinjun","In(OTf)3-catalyzed reorganization/cycloaddition of two imine units and subsequent modular assembly of acridinium photocatalysts.","Chemical science","2023","14","19","5160","5166","10.1039/d3sc00163f","","","0.71073","MoKα","","0.2476","0.1243","","","0.2455","0.2928","","","","","","1.068","","","","has coordinates","284212","2023-06-05","03:55:31","" "1568880","11.0488","0.0006","6.4191","0.0003","14.6827","0.0007","90","","99.43","0.002","90","","1027.27","0.09","276","2","276","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H21 N S -","- C28 H21 N S -","- C56 H42 N2 S2 -","2","1","","Nan, Jiang; Huang, Guanjie; Liu, Shilei; Wang, Jing; Ma, Yangmin; Luan, Xinjun","In(OTf)3-catalyzed reorganization/cycloaddition of two imine units and subsequent modular assembly of acridinium photocatalysts.","Chemical science","2023","14","19","5160","5166","10.1039/d3sc00163f","","","0.71073","MoKα","","0.0561","0.0411","","","0.0881","0.0961","","","","","","1.04","","","","has coordinates","284212","2023-06-05","03:55:34","" "1568881","12.782","0.003","7.6564","0.0015","32.715","0.007","90","","90","","90","","3201.6","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C160 H160 N16 O24 -","8","1","","Young, Taylor B.; Guppy, Owaen G.; Draper, Alysia J.; Whitington, Joshua M.; Kariuki, Benson M.; Paul, Alison; Eaton, Mark; Pope, Simon J. A.; Ward, Benjamin D.","Chemically recyclable fluorescent polyesters via the ring-opening copolymerization of epoxides and anhydrides","Polymer Chemistry","2023","14","20","2478","2484","10.1039/D3PY00209H","","","0.71073","MoKα","","0.087","0.0764","","","0.2052","0.2115","","","","","","1.187","","","","has coordinates,has disorder","284344","2023-06-05","05:02:00","" "1568882","29.6286","0.0006","29.6286","0.0006","7.6747","0.0003","90","","90","","120","","5834.6","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C306 H234 N18 O54 -","18","1","","Young, Taylor B.; Guppy, Owaen G.; Draper, Alysia J.; Whitington, Joshua M.; Kariuki, Benson M.; Paul, Alison; Eaton, Mark; Pope, Simon J. A.; Ward, Benjamin D.","Chemically recyclable fluorescent polyesters via the ring-opening copolymerization of epoxides and anhydrides","Polymer Chemistry","2023","14","20","2478","2484","10.1039/D3PY00209H","","","0.71073","MoKα","","0.0799","0.0668","","","0.2022","0.2181","","","","","","1.063","","","","has coordinates,has disorder","284344","2023-06-05","05:02:00","" "1568883","18.6396","0.0018","9.9559","0.0007","7.3","0.0006","90","","96.583","0.007","90","","1345.8","0.2","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 O2 -","- C6 H12 O2 -","- C48 H96 O16 -","8","1","","Young, Taylor B.; Guppy, Owaen G.; Draper, Alysia J.; Whitington, Joshua M.; Kariuki, Benson M.; Paul, Alison; Eaton, Mark; Pope, Simon J. A.; Ward, Benjamin D.","Chemically recyclable fluorescent polyesters via the ring-opening copolymerization of epoxides and anhydrides","Polymer Chemistry","2023","14","20","2478","2484","10.1039/D3PY00209H","","","1.54184","CuKα","","0.0472","0.0397","","","0.1183","0.1275","","","","","","1.064","","","","has coordinates,has disorder","284344","2023-06-05","05:02:00","" "1568884","17.4083","0.0003","18.0287","0.0004","28.2153","0.0005","90","","90","","90","","8855.3","0.3","101","2","101.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H66 Al O2 P -","- C50 H66 Al O2 P -","- C400 H528 Al8 O16 P8 -","8","1","","Chen, Zhikang; Zhao, Wuchao; Liu, Conglei; Jiang, Liuying; Fu, Gang; Zhang, Yuetao; Zhu, Hongping","Phosphonium ylide/organoaluminum-based Lewis pairs for the highly efficient living/controlled polymerization of alkyl (meth)acrylates","Polymer Chemistry","2023","14","19","2344","2354","10.1039/D3PY00301A","","","1.54184","CuKα","","0.0367","0.0345","","","0.0912","0.0927","","","","","","1.03","","","","has coordinates","284343","2023-06-05","05:01:45","" "1568885","18.8537","0.0003","15.5489","0.0002","18.2578","0.0003","90","","103.111","0.001","90","","5212.83","0.14","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H78 Al O2 P -","- C59 H78 Al O2 P -","- C236 H312 Al4 O8 P4 -","4","1","","Chen, Zhikang; Zhao, Wuchao; Liu, Conglei; Jiang, Liuying; Fu, Gang; Zhang, Yuetao; Zhu, Hongping","Phosphonium ylide/organoaluminum-based Lewis pairs for the highly efficient living/controlled polymerization of alkyl (meth)acrylates","Polymer Chemistry","2023","14","19","2344","2354","10.1039/D3PY00301A","","","1.54184","CuKα","","0.0553","0.0533","","","0.1426","0.1442","","","","","","1.049","","","","has coordinates,has disorder","284343","2023-06-05","05:01:46","" "1568886","15.9438","0.0004","17.9944","0.0003","18.5158","0.0004","73.892","0.002","88.976","0.002","88.672","0.002","5101.9","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C116 H152 Al2 O4 P2 -","- C116 H152 Al2 O4 P2 -","- C232 H304 Al4 O8 P4 -","2","1","","Chen, Zhikang; Zhao, Wuchao; Liu, Conglei; Jiang, Liuying; Fu, Gang; Zhang, Yuetao; Zhu, Hongping","Phosphonium ylide/organoaluminum-based Lewis pairs for the highly efficient living/controlled polymerization of alkyl (meth)acrylates","Polymer Chemistry","2023","14","19","2344","2354","10.1039/D3PY00301A","","x-ray","1.54184","CuKα","","0.0405","0.0378","","","0.0978","0.0996","","","","","","1.032","","","","has coordinates,has disorder","284343","2023-06-05","05:01:46","" "1568887","12.9446","0.0004","14.8659","0.0006","17.9817","0.0007","109.495","0.004","92.1","0.003","107.404","0.003","3076.5","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C60.5 H82 Al O4 P -","- C60.5 H82 Al O4 P -","- C121 H164 Al2 O8 P2 -","2","1","","Chen, Zhikang; Zhao, Wuchao; Liu, Conglei; Jiang, Liuying; Fu, Gang; Zhang, Yuetao; Zhu, Hongping","Phosphonium ylide/organoaluminum-based Lewis pairs for the highly efficient living/controlled polymerization of alkyl (meth)acrylates","Polymer Chemistry","2023","14","19","2344","2354","10.1039/D3PY00301A","","x-ray","1.54184","CuKα","","0.1128","0.0969","","","0.2643","0.2786","","","","","","1.137","","","","has coordinates","284343","2023-06-05","05:01:46","" "1568888","12.6448","0.0002","15.3492","0.0002","16.4061","0.0002","67.954","0.001","89.197","0.001","74.802","0.001","2835.47","0.07","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C63 H82.5 Al O4 P -","- C63 H82.5 Al O4 P -","- C126 H165 Al2 O8 P2 -","2","1","","Chen, Zhikang; Zhao, Wuchao; Liu, Conglei; Jiang, Liuying; Fu, Gang; Zhang, Yuetao; Zhu, Hongping","Phosphonium ylide/organoaluminum-based Lewis pairs for the highly efficient living/controlled polymerization of alkyl (meth)acrylates","Polymer Chemistry","2023","14","19","2344","2354","10.1039/D3PY00301A","","","1.54184","CuKα","","0.0351","0.0343","","","0.0904","0.0909","","","","","","1.023","","","","has coordinates,has disorder","284343","2023-06-05","05:01:46","" "1568889","9.374","0.002","8.2061","0.0018","10.172","0.002","90","","90.621","0.01","90","","782.4","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H18 N4 O4 Zn -","- C12 H18 N4 O4 Zn -","- C24 H36 N8 O8 Zn2 -","2","1","","Sahoo, Sangita; Manna, Subarna; Rit, Arnab","N-Heterocyclic carbene supported zinc catalysed N-formylation of diverse N–H functionalities with carbon dioxide under ambient conditions","Catalysis Science & Technology","2023","13","11","3344","3350","10.1039/D3CY00401E","","","1.54178","CuKα","","0.0362","0.0346","","","0.0951","0.1005","","","","","","1.238","","","","has coordinates","284828","2023-07-05","08:26:03","" "1568890","9.5447","0.0003","10.6072","0.0003","14.7411","0.0005","91.735","0.003","97.167","0.003","101.208","0.003","1450.24","0.08","232.99","0.1","232.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H25 Li N2 O -","- C12 H25 Li N2 O -","- C48 H100 Li4 N8 O4 -","4","2","","Zhou, Wei; Docherty, Scott R.; Ehinger, Christian; Zhou, Xiaoyu; Copéret, Christophe","The promotional role of Mn in CO2 hydrogenation over Rh-based catalysts from a surface organometallic chemistry approach.","Chemical science","2023","14","20","5379","5385","10.1039/d3sc01163a","","x-ray","1.54184","CuKα","","0.074","0.0663","","","0.2008","0.2093","","","","","","1.065","","","","has coordinates,has disorder","284225","2023-06-05","04:03:00","" "1568891","10.7527","0.0004","10.0218","0.0003","30.3983","0.0011","90","","90","","90","","3275.8","0.2","230","0.1","230","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H29 N2 Rh -","- C16 H29 N2 Rh -","- C128 H232 N16 Rh8 -","8","1","","Zhou, Wei; Docherty, Scott R.; Ehinger, Christian; Zhou, Xiaoyu; Copéret, Christophe","The promotional role of Mn in CO2 hydrogenation over Rh-based catalysts from a surface organometallic chemistry approach.","Chemical science","2023","14","20","5379","5385","10.1039/d3sc01163a","","x-ray","1.54184","CuKα","","0.0384","0.0364","","","0.1018","0.1038","","","","","","1.043","","","","has coordinates,has disorder","284225","2023-06-05","04:03:00","" "1568892","10.4362","0.0004","22.443","0.0008","18.2762","0.0007","90","","90","","90","","4280.6","0.3","230","0.1","230","0.1","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36.5 H31 Cl3 F6 N2 O9 S2 -","- C35.8285 H30.172 Cl1.657 F6 N2 O9 S2 -","- C143.314 H120.688 Cl6.628 F24 N8 O36 S8 -","4","1","","Pham, Quoc Hoang; Tague, Andrew J.; Richardson, Christopher; Gardiner, Michael G.; Pyne, Stephen G.; Hyland, Christopher J. T.","Palladium-catalysed enantio- and regioselective (3 + 2) cycloaddition reactions of sulfamidate imine-derived 1-azadienes towards spirocyclic cyclopentanes.","Chemical science","2023","14","18","4893","4900","10.1039/d3sc01510f","","x-ray","0.71073","MoKα","","0.0876","0.0636","","","0.1717","0.1937","","","","","","1.032","","","","has coordinates,has disorder","284232","2023-06-05","04:06:37","" "1568893","8.6488","0.0007","5.6835","0.0004","17.6333","0.0014","90","","91.157","0.006","90","","866.6","0.12","123.15","","123.15","","","","","","","","","3","P 1 21 1","P 2yb","4","1-Naph-imine","","","- C24 H19 N -","- C24 H19 N -","- C48 H38 N2 -","2","1","","Machida, Yutaro; Tanaka, Yudai; Masuda, Yuya; Kimura, Aya; Kawasaki, Tsuneomi","Chirally and chemically reversible Strecker reaction","Chemical Science","2023","14","17","4480","4484","10.1039/D3SC00359K","","","1.54187","CuKα","","0.0757","0.0553","","","0.1311","0.1454","","","","","","1.06","","","","has coordinates","283143","2023-05-05","00:44:38","" "1568894","5.8251","0.0002","8.9229","0.0003","26.3669","0.0009","90","","90","","90","","1370.47","0.08","123.15","","123.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Fur-imine","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Machida, Yutaro; Tanaka, Yudai; Masuda, Yuya; Kimura, Aya; Kawasaki, Tsuneomi","Chirally and chemically reversible Strecker reaction","Chemical Science","2023","14","17","4480","4484","10.1039/D3SC00359K","","","1.54187","CuKα","","0.0298","0.0289","","","0.0687","0.0691","","","","","","1.105","","","","has coordinates","283143","2023-05-05","00:44:48","" "1568895","12.3374","0.0003","6.0658","0.0002","12.5814","0.0004","90","","100.849","0.007","90","","924.72","0.05","123.15","","123.15","","","","","","","","","3","P 1 21 1","P 2yb","4","1-Naph-aminonitrile","","","- C25 H20 N2 -","- C25 H20 N2 -","- C50 H40 N4 -","2","1","","Machida, Yutaro; Tanaka, Yudai; Masuda, Yuya; Kimura, Aya; Kawasaki, Tsuneomi","Chirally and chemically reversible Strecker reaction","Chemical Science","2023","14","17","4480","4484","10.1039/D3SC00359K","","","1.54187","CuKα","","0.0486","0.0364","","","0.0751","0.0786","","","","","","1.01","","","","has coordinates","283143","2023-05-05","00:44:52","" "1568896","6.9356","0.0002","8.626","0.0003","25.4183","0.0008","90","","90","","90","","1520.69","0.08","123.15","","123.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Fur-aminonitrile","","","- C18.9 H15.9 N2 O -","- C18.898 H15.898 N2 O -","- C75.592 H63.592 N8 O4 -","4","1","","Machida, Yutaro; Tanaka, Yudai; Masuda, Yuya; Kimura, Aya; Kawasaki, Tsuneomi","Chirally and chemically reversible Strecker reaction","Chemical Science","2023","14","17","4480","4484","10.1039/D3SC00359K","","","1.54187","CuKα","","0.04","0.0387","","","0.0965","0.0974","","","","","","1.061","","","","has coordinates,has disorder","283143","2023-05-05","00:44:53","" "1568897","12.5347","0.0016","13.5209","0.0017","13.0674","0.0017","90","","93.446","0.003","90","","2210.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H36 Au Cl N2 -","- C19 H36 Au Cl N2 -","- C76 H144 Au4 Cl4 N8 -","4","1","","Rahman, Md Mahbubur; Meng, Guangrong; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","ItOct (ItOctyl) - pushing the limits of ItBu: highly hindered electron-rich N-aliphatic N-heterocyclic carbenes.","Chemical science","2023","14","19","5141","5147","10.1039/d3sc01006f","","","1.54178","CuKα","","0.0207","0.0205","","","0.0484","0.0485","","","","","","1.212","","","","has coordinates","284217","2023-06-05","03:58:51","" "1568898","12.6916","0.0006","13.503","0.0007","13.0909","0.0006","90","","95.351","0.004","90","","2233.67","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H36 Cl Cu N2 -","- C19 H36 Cl Cu N2 -","- C76 H144 Cl4 Cu4 N8 -","4","1","","Rahman, Md Mahbubur; Meng, Guangrong; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","ItOct (ItOctyl) - pushing the limits of ItBu: highly hindered electron-rich N-aliphatic N-heterocyclic carbenes.","Chemical science","2023","14","19","5141","5147","10.1039/d3sc01006f","","","0.71073","MoKα","","0.1333","0.0458","","","0.0884","0.1057","","","","","","0.824","","","","has coordinates","284217","2023-06-05","03:58:56","" "1568899","12.9804","0.0003","13.4131","0.0003","13.1899","0.0003","90","","90.467","0.002","90","","2296.38","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H36 Ag Cl N2 -","- C19 H36 Ag Cl N2 -","- C76 H144 Ag4 Cl4 N8 -","4","1","","Rahman, Md Mahbubur; Meng, Guangrong; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","ItOct (ItOctyl) - pushing the limits of ItBu: highly hindered electron-rich N-aliphatic N-heterocyclic carbenes.","Chemical science","2023","14","19","5141","5147","10.1039/d3sc01006f","","","0.71073","MoKα","","0.0419","0.0275","","","0.0676","0.071","","","","","","0.985","","","","has coordinates","284217","2023-06-05","03:59:09","" "1568900","12.694","0.0003","14.2272","0.0003","15.3472","0.0004","90","","90","","90","","2771.71","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 Cl3 N3 Pd -","- C24 H40 Cl3 N3 Pd -","- C96 H160 Cl12 N12 Pd4 -","4","1","","Rahman, Md Mahbubur; Meng, Guangrong; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","ItOct (ItOctyl) - pushing the limits of ItBu: highly hindered electron-rich N-aliphatic N-heterocyclic carbenes.","Chemical science","2023","14","19","5141","5147","10.1039/d3sc01006f","","","0.71073","MoKα","","0.0237","0.0185","","","0.038","0.0389","","","","","","0.94","","","","has coordinates","284217","2023-06-05","03:59:11","" "1568901","32.8739","0.001","10.3807","0.0003","12.109","0.0003","90","","90","","90","","4132.2","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H36 N2 Se -","- C19 H36 N2 Se -","- C152 H288 N16 Se8 -","8","2","","Rahman, Md Mahbubur; Meng, Guangrong; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","ItOct (ItOctyl) - pushing the limits of ItBu: highly hindered electron-rich N-aliphatic N-heterocyclic carbenes.","Chemical science","2023","14","19","5141","5147","10.1039/d3sc01006f","","","0.71073","MoKα","","0.0783","0.0386","","","0.0792","0.0844","","","","","","0.839","","","","has coordinates","284217","2023-06-05","03:59:15","" "1568902","9.4218","0.0005","12.996","0.0006","14.5646","0.0008","90.383","0.002","100.408","0.002","98.456","0.002","1733.95","0.16","302","2","302","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H40 N2 O -","- C46 H40 N2 O -","- C92 H80 N4 O2 -","2","1","","Zhang, Yunxi; Huang, Zhengmei; Yang, Yudong; Liu, Jiahui; Tian, Yang; Bin, Zhengyang; You, Jingsong","Molecular engineering of locked alkyl aryl carbonyl-based thermally activated delayed fluorescence emitters via a cascade C-H activation process.","Chemical science","2023","14","19","5125","5131","10.1039/d3sc01298k","","","0.71073","MoKα","","0.0988","0.0522","","","0.1229","0.1414","","","","","","1.022","","","","has coordinates","284210","2023-06-05","03:54:58","" "1568903","8.8902","0.0014","12.895","0.002","14.568","0.002","67.108","0.005","72.348","0.006","76.144","0.006","1452","0.4","220","2","220","","","","","","","","","4","P -1","-P 1","2","","","","- C41 H31 N O -","- C41 H31 N O -","- C82 H62 N2 O2 -","2","1","","Zhang, Yunxi; Huang, Zhengmei; Yang, Yudong; Liu, Jiahui; Tian, Yang; Bin, Zhengyang; You, Jingsong","Molecular engineering of locked alkyl aryl carbonyl-based thermally activated delayed fluorescence emitters via a cascade C-H activation process.","Chemical science","2023","14","19","5125","5131","10.1039/d3sc01298k","","","0.71073","MoKα","","0.0917","0.0516","","","0.1125","0.1307","","","","","","1.019","","","","has coordinates","284210","2023-06-05","03:54:58","" "1568904","22.713","0.003","10.751","0.0012","16.371","0.002","90","","133.633","0.007","90","","2893.4","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C128 H128 N16 O32 -","8","1","","Maiti, Debajit; Saha, Argha; Guin, Srimanta; Maiti, Debabrata; Sen, Subhabrata","Unveiling catalyst-free electro-photochemical reactivity of aryl diazoesters and facile synthesis of oxazoles, imide-fused pyrroles and tetrahydro-epoxy-pyridines via carbene radical anions.","Chemical science","2023","14","23","6216","6225","10.1039/d3sc00089c","","","0.71073","MoKα","","0.0541","0.0447","","","0.1487","0.1572","","","","","","1.301","","","","has coordinates","284905","2023-07-05","09:48:26","" "1568905","13.4772","0.001","8.9459","0.0007","15.8469","0.0009","90","","94.187","0.002","90","","1905.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Cl N2 O4 -","- C22 H19 Cl N2 O4 -","- C88 H76 Cl4 N8 O16 -","4","1","","Maiti, Debajit; Saha, Argha; Guin, Srimanta; Maiti, Debabrata; Sen, Subhabrata","Unveiling catalyst-free electro-photochemical reactivity of aryl diazoesters and facile synthesis of oxazoles, imide-fused pyrroles and tetrahydro-epoxy-pyridines via carbene radical anions.","Chemical science","2023","14","23","6216","6225","10.1039/d3sc00089c","","","0.71073","MoKα","","0.1011","0.0623","","","0.1328","0.1557","","","","","","1.134","","","","has coordinates","284905","2023-07-05","09:48:27","" "1568906","11.153","0.003","9.171","0.003","18.019","0.006","90","","90","","90","","1843.1","1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H24 N6 O3 -","- C15 H24 N6 O3 -","- C60 H96 N24 O12 -","4","1","","Athiyarath, Vignesh; Mathew, Liby Ann; Zhao, Yakai; Khazeber, Ravichandran; Ramamurty, Upadrasta; Sureshan, Kana M.","Rational design and topochemical synthesis of polymorphs of a polymer.","Chemical science","2023","14","19","5132","5140","10.1039/d3sc00053b","","","0.71073","MoKα","","0.056","0.0449","","","0.1027","0.1086","","","","","","1.007","","","","has coordinates","284211","2023-06-05","03:55:19","" "1568907","11.2274","0.0013","9.2607","0.0012","18.166","0.002","90","","90","","90","","1888.8","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H24 N6 O3 -","- C15 H24 N6 O3 -","- C60 H96 N24 O12 -","4","1","","Athiyarath, Vignesh; Mathew, Liby Ann; Zhao, Yakai; Khazeber, Ravichandran; Ramamurty, Upadrasta; Sureshan, Kana M.","Rational design and topochemical synthesis of polymorphs of a polymer.","Chemical science","2023","14","19","5132","5140","10.1039/d3sc00053b","","","0.71073","MoKα","","0.1081","0.0581","","","0.1381","0.1653","","","","","","1.038","","","","has coordinates,has disorder","284211","2023-06-05","03:55:19","" "1568908","17.887","0.003","8.7802","0.0012","12.944","0.002","90","","108.215","0.005","90","","1931","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H26 N6 O4 -","- C15 H26 N6 O4 -","- C60 H104 N24 O16 -","4","1","","Athiyarath, Vignesh; Mathew, Liby Ann; Zhao, Yakai; Khazeber, Ravichandran; Ramamurty, Upadrasta; Sureshan, Kana M.","Rational design and topochemical synthesis of polymorphs of a polymer.","Chemical science","2023","14","19","5132","5140","10.1039/d3sc00053b","","","0.71073","MoKα","","0.0789","0.05","","","0.1228","0.1414","","","","","","1.029","","","","has coordinates,has disorder","284211","2023-06-05","03:55:19","" "1568909","17.885","0.005","18.47","0.005","10.697","0.003","90","","90","","90","","3533.6","1.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H24 N6 O3 -","- C15 H24 N6 O3 -","- C120 H192 N48 O24 -","8","1","","Athiyarath, Vignesh; Mathew, Liby Ann; Zhao, Yakai; Khazeber, Ravichandran; Ramamurty, Upadrasta; Sureshan, Kana M.","Rational design and topochemical synthesis of polymorphs of a polymer.","Chemical science","2023","14","19","5132","5140","10.1039/d3sc00053b","","","0.71073","MoKα","","0.2678","0.1183","","","0.3016","0.4135","","","","","","1.144","","","","has coordinates,has disorder","284211","2023-06-05","03:55:19","" "1568910","18.146","0.004","10.719","0.002","18.54","0.004","90","","94.9","0.03","90","","3593","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N6 O3 -","- C15 H24 N6 O3 -","- C120 H192 N48 O24 -","8","2","","Athiyarath, Vignesh; Mathew, Liby Ann; Zhao, Yakai; Khazeber, Ravichandran; Ramamurty, Upadrasta; Sureshan, Kana M.","Rational design and topochemical synthesis of polymorphs of a polymer.","Chemical science","2023","14","19","5132","5140","10.1039/d3sc00053b","","","0.71073","MoKα","","0.1039","0.0525","","","0.1133","0.1385","","","","","","1.032","","","","has coordinates","284211","2023-06-05","03:55:19","" "1568911","9.941","0.003","14.577","0.005","18.928","0.006","88.09","0.007","77.833","0.007","74.266","0.006","2580","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H39 N7 O14.5 Y2 -","- C54 H37 N7 O15 Y2 -","- C108 H74 N14 O30 Y4 -","2","1","","Wang, Xinrui; Clavier, Gilles; Zhang, Yan; Batra, Kamal; Xiao, Nanan; Maurin, Guillaume; Ding, Bin; Tissot, Antoine; Serre, Christian","A MOF/DNA luminescent sensing platform for detection of potential COVID-19 biomarkers and drugs.","Chemical science","2023","14","20","5386","5395","10.1039/d3sc00106g","","","0.71073","MoKα","","0.0872","0.0576","","","0.1526","0.1655","","","","","","1.047","","","","has coordinates,has disorder","284228","2023-06-05","04:03:57","" "1568912","10.55","0.0009","10.051","0.0008","12.1412","0.001","90","","109.66","0.004","90","","1212.38","0.18","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H24 Fe N4 O2 -","- C29 H24 Fe N4 O2 -","- C58 H48 Fe2 N8 O4 -","2","1","","Zhou, Li; Li, Yankun; Li, Shunian; Shi, Zhenwei; Zhang, Xue; Tung, Chen-Ho; Xu, Zhenghu","Asymmetric rhodium-catalyzed click cycloaddition to access C-N axially chiral N-triazolyl indoles.","Chemical science","2023","14","19","5182","5187","10.1039/d3sc00610g","","","1.54178","CuKα","","0.0399","0.0299","","","0.0688","0.0706","","","","","","1.011","","","","has coordinates","284213","2023-06-05","03:55:58","" "1568913","8.2557","0.0005","14.5568","0.0009","21.8087","0.0012","90","","90","","90","","2620.9","0.3","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 N4 O3 S -","- C31 H26 N4 O3 S -","- C124 H104 N16 O12 S4 -","4","1","","Zhou, Li; Li, Yankun; Li, Shunian; Shi, Zhenwei; Zhang, Xue; Tung, Chen-Ho; Xu, Zhenghu","Asymmetric rhodium-catalyzed click cycloaddition to access C-N axially chiral N-triazolyl indoles.","Chemical science","2023","14","19","5182","5187","10.1039/d3sc00610g","","","1.54178","CuKα","","0.04","0.035","","","0.0842","0.0878","","","","","","1.104","","","","has coordinates","284213","2023-06-05","03:56:04","" "1568914","15.3021","0.0005","14.6862","0.0004","29.0678","0.0009","90","","98.666","0.003","90","","6457.8","0.3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 Br2 O4 Si2 -","- C28 H44 Br2 O4 Si2 -","- C224 H352 Br16 O32 Si16 -","8","2","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1169","0.0768","","","0.1723","0.1841","","","","","","1.163","","","","has coordinates","284231","2023-06-05","04:05:18","" "1568915","14.2291","0.0004","9.2419","0.0003","26.5165","0.0007","90","","96.382","0.003","90","","3465.41","0.18","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Br2 O3 S Si2 -","- C28 H44 Br2 O3 S Si2 -","- C112 H176 Br8 O12 S4 Si8 -","4","1","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1517","0.0627","","","0.1736","0.2132","","","","","","1.009","","","","has coordinates","284231","2023-06-05","04:05:18","" "1568916","14.187","0.0004","9.2501","0.0003","26.1208","0.0007","90","","95.646","0.002","90","","3411.23","0.17","223","","223","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Br2 O3 S Si2 -","- C28 H44 Br2 O3 S Si2 -","- C112 H176 Br8 O12 S4 Si8 -","4","1","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1273","0.0642","","","0.1206","0.1394","","","","","","1.009","","","","has coordinates","284231","2023-06-05","04:05:18","" "1568917","14.226","0.0006","9.2521","0.0005","26.4803","0.001","90","","96.315","0.004","90","","3464.2","0.3","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Br2 O3 S Si2 -","- C28 H44 Br2 O3 S Si2 -","- C112 H176 Br8 O12 S4 Si8 -","4","1","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1203","0.0561","","","0.1578","0.1897","","","","","","1.009","","","","has coordinates","284231","2023-06-05","04:05:18","" "1568918","15.3539","0.0004","14.7515","0.0003","29.2022","0.0008","90","","98.737","0.002","90","","6537.3","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 Br2 O4 Si2 -","- C28 H44 Br2 O4 Si2 -","- C224 H352 Br16 O32 Si16 -","8","2","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1336","0.0782","","","0.1829","0.1998","","","","","","1.131","","","","has coordinates","284231","2023-06-05","04:05:18","" "1568919","14.2236","0.0006","9.2423","0.0004","26.4876","0.0009","90","","96.355","0.004","90","","3460.6","0.2","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Br2 O3 S Si2 -","- C28 H44 Br2 O3 S Si2 -","- C112 H176 Br8 O12 S4 Si8 -","4","1","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1248","0.0569","","","0.1587","0.194","","","","","","1.013","","","","has coordinates","284231","2023-06-05","04:05:18","" "1568920","14.2313","0.0006","9.2571","0.0005","26.487","0.0009","90","","96.271","0.004","90","","3468.5","0.3","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Br2 O3 S Si2 -","- C28 H44 Br2 O3 S Si2 -","- C112 H176 Br8 O12 S4 Si8 -","4","1","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1168","0.0545","","","0.1558","0.1863","","","","","","1.015","","","","has coordinates","284231","2023-06-05","04:05:18","" "1568921","11.2185","0.0002","10.2204","0.0002","13.5244","0.0002","90","","106.427","0.001","90","","1487.38","0.05","116","","116","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C32 H31 K O14 -","- C32 H31 K O14 -","- C64 H62 K2 O28 -","2","0.5","LQ5051","Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.","Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.","IUCrJ","2023","10","3","","","10.1107/S205225252300266X","","","1.54178","CuKα","","0.0564","0.0537","","","0.1577","0.1613","","","","","","1.071","","","","has coordinates","282789","2023-04-21","01:46:24","" "1568922","19.4072","0.0008","20.4384","0.0008","17.3645","0.0011","90","","104.006","0.005","90","","6682.9","0.6","113.15","","113.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H33 K O13 -","- C34 H33 K O13 -","- C272 H264 K8 O104 -","8","1","","Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.","Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.","IUCrJ","2023","10","3","","","10.1107/S205225252300266X","","x-ray","0.71073","MoKα","","0.1026","0.0798","","","0.1886","0.205","","","","","","1.025","","","","has coordinates,has disorder","282789","2023-04-21","01:46:25","" "1568923","19.6211","0.0003","20.3628","0.0003","17.2684","0.0003","90","","104.282","0.001","90","","6686.19","0.19","113","","113","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H31 K O13 -","- C33 H31 K O13 -","- C264 H248 K8 O104 -","8","1","","Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.","Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.","IUCrJ","2023","10","3","","","10.1107/S205225252300266X","","","1.54178","CuKα","","0.0564","0.0554","","","0.1437","0.1465","","","","","","1.131","","","","has coordinates,has disorder","282789","2023-04-21","01:46:25","" "1568924","13.9343","0.0003","7.8657","0.0002","31.4425","0.0007","90","","90","","90","","3446.19","0.14","113","","113","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H19 K O9 -","- C16 H19 K O9 -","- C128 H152 K8 O72 -","8","1","","Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.","Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.","IUCrJ","2023","10","3","","","10.1107/S205225252300266X","","","1.54178","CuKα","","0.0475","0.0454","","","0.1151","0.1165","","","","","","1.08","","","","has coordinates,has disorder","282789","2023-04-21","01:46:25","" "1568925","10.7741","0.0006","9.6357","0.0006","13.8452","0.0009","90","","107.103","0.002","90","","1373.79","0.15","150","","150","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C16 H13.5 Na0.5 O6 -","- C16 H13.5 Na0.5 O6 -","- C64 H54 Na2 O24 -","4","1","","Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.","Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.","IUCrJ","2023","10","3","","","10.1107/S205225252300266X","","x-ray","0.71073","MoKα","","0.0573","0.0425","","","0.1103","0.1168","","","","","","1.074","","","","has coordinates","282789","2023-04-21","01:46:25","" "1568926","10.8865","0.0005","10.9884","0.0006","16.1451","0.0008","81.871","0.004","74.681","0.005","68.049","0.005","1725.73","0.17","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H39 Na O14 -","- C36 H39 Na O14 -","- C72 H78 Na2 O28 -","2","1","","Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.","Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.","IUCrJ","2023","10","3","","","10.1107/S205225252300266X","","x-ray","0.71073","MoKα","","0.0845","0.0607","","","0.143","0.1648","","","","","","1.047","","","","has coordinates,has disorder","282789","2023-04-21","01:46:25","" "1568927","11.0666","0.0004","13.2714","0.0004","10.0412","0.0003","90","","94.43","0.001","90","","1470.34","0.08","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Na O7 -","- C16 H15 Na O7 -","- C64 H60 Na4 O28 -","4","1","","Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.","Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.","IUCrJ","2023","10","3","","","10.1107/S205225252300266X","","x-ray","0.71073","MoKα","","0.062","0.0475","","","0.1158","0.1244","","","","","","1.043","","","","has coordinates,has disorder","282789","2023-04-21","01:46:25","" "1568928","36.6848","0.0004","36.6848","0.0004","36.6848","0.0004","90","","90","","90","","49369.5","0.9","293","2","293","2","","","","","","","","5","I 4 3 2","I 4 2 3","211","","","","- C94 H100 Al8 N24 O38 -","- C94 H108 Al8 N24 O36 -","- C1128 H1296 Al96 N288 O432 -","12","0.25","","Luo, Dan; Xiao, Han; Zhang, Min-Yi; Li, Shang-Da; He, Liang; Lv, Hong; Li, Chun-Sen; Lin, Qi-Pu; Fang, Wei-Hui; Zhang, Jian","Accurate binding of porous aluminum molecular ring catalysts with the substrate.","Chemical science","2023","14","20","5396","5404","10.1039/d3sc01260c","","x-ray","1.3405","GaKα","","0.07","0.0589","","","0.1402","0.1468","","","","","","1.051","","","","has coordinates,has disorder","284230","2023-06-05","04:04:45","" "1568929","23.0719","0.0003","23.0719","0.0003","14.7983","0.0004","90","","90","","90","","7877.3","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C96 H80 Al8 N32 O40 -","- C96 H88 Al8 N32 O40 -","- C192 H176 Al16 N64 O80 -","2","0.125","","Luo, Dan; Xiao, Han; Zhang, Min-Yi; Li, Shang-Da; He, Liang; Lv, Hong; Li, Chun-Sen; Lin, Qi-Pu; Fang, Wei-Hui; Zhang, Jian","Accurate binding of porous aluminum molecular ring catalysts with the substrate.","Chemical science","2023","14","20","5396","5404","10.1039/d3sc01260c","","x-ray","1.3405","GaKα","","0.0842","0.0707","","","0.2046","0.2193","","","","","","0.988","","","","has coordinates","284230","2023-06-05","04:04:46","" "1568930","22.85","0.0003","22.85","0.0003","14.9095","0.0004","90","","90","","90","","7784.6","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C124 H100 Al8 N32 O44 -","- C124 H108 Al8 N32 O44 -","- C248 H216 Al16 N64 O88 -","2","0.125","","Luo, Dan; Xiao, Han; Zhang, Min-Yi; Li, Shang-Da; He, Liang; Lv, Hong; Li, Chun-Sen; Lin, Qi-Pu; Fang, Wei-Hui; Zhang, Jian","Accurate binding of porous aluminum molecular ring catalysts with the substrate.","Chemical science","2023","14","20","5396","5404","10.1039/d3sc01260c","","x-ray","1.54184","CuKα","","0.1055","0.0967","","","0.267","0.2804","","","","","","1.21","","","","has coordinates","284230","2023-06-05","04:04:46","" "1568931","36.617","0.0003","36.617","0.0003","36.617","0.0003","90","","90","","90","","49096.2","0.7","99.99","0.1","99.99","0.1","","","","","","","","5","I 4 3 2","I 4 2 3","211","","","","- C88 H88 Al8 N24 O36 -","- C88 H96 Al8 N24 O36 -","- C1056 H1152 Al96 N288 O432 -","12","0.25","","Luo, Dan; Xiao, Han; Zhang, Min-Yi; Li, Shang-Da; He, Liang; Lv, Hong; Li, Chun-Sen; Lin, Qi-Pu; Fang, Wei-Hui; Zhang, Jian","Accurate binding of porous aluminum molecular ring catalysts with the substrate.","Chemical science","2023","14","20","5396","5404","10.1039/d3sc01260c","","x-ray","1.54184","CuKα","","0.057","0.0521","","","0.1355","0.1392","","","","","","1.009","","","","has coordinates,has disorder","284230","2023-06-05","04:04:46","" "1568932","27.159","0.0012","21.1739","0.0009","23.6358","0.001","90","","95.848","0.004","90","","13521.3","1","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- H76 Li14 Na O148 P5 W30 -","- Na O125.6 P5 W30 -","- Na4 O502.4 P20 W120 -","4","0.5","","Zhao, Tingting; Bell, Nicola L.; Chisholm, Greig; Kandasamy, Balamurugan; Long, De-Liang; Cronin, Leroy","Aqueous solutions of super reduced polyoxotungstates as electron storage systems.","Energy & environmental science","2023","16","6","2603","2610","10.1039/d3ee00569k","","","0.71073","MoKα","","0.0908","0.0809","","","0.2189","0.2268","","","","","","1.063","","","","has coordinates","284925","2023-07-05","10:21:54","" "1568933","19.2935","0.0007","4.6933","0.0002","18.7498","0.0007","90","","116.106","0.002","90","","1524.59","0.11","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-Methyl-2-oxoquinoxalin-1-yl)-N-(4-methylphenyl)acetamide","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","VM4060","Missioui, Mohcine; Alsubari, Abdulsalam; Mague, Joel T.; Essassi, El Mokhtar; Ramli, Youssef","2-(3-Methyl-2-oxoquinoxalin-1-yl)-N-(4-methylphenyl)acetamide","IUCrData","2023","8","4","","","10.1107/S2414314623003577","","","1.54178","CuKα","","0.0706","0.057","","","0.1475","0.1577","","","","","","1.041","","","","has coordinates,has disorder","282799","2023-04-22","01:43:05","" "1568934","17.8815","0.0013","12.5896","0.001","20.3917","0.0016","90","","112.01","0.0016","90","","4256","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{μ-2,2'-(Ethane-1,2-diyl)bis[4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[c]pyrrol-5-one]}bis[tricarbonyliron(0)]","","- C34 H48 Fe2 N2 O8 Si4 -","- C34 H48 Fe2 N2 O8 Si4 -","- C136 H192 Fe8 N8 O32 Si16 -","4","1","BH4073","Huerta-Zerón, Hilario D.; Spannenberg, Anke; Beller, Matthias; Junge, Henrik","{μ-2,2′-(Ethane-1,2-diyl)bis[4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[c]pyrrol-5-one]}bis[tricarbonyliron(0)]","IUCrData","2023","8","4","","","10.1107/S2414314623003462","","","0.71073","MoKα","","0.07","0.038","","","0.083","0.0962","","","","","","1.001","","","","has coordinates","282800","2023-04-22","01:43:29","" "1568935","6.3829","0.0007","12.6897","0.0008","15.9539","0.0017","90","","101.308","0.008","90","","1267.1","0.2","153","1","153","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(23R,23^1^S,25S)-23^1^,26-Epoxy-23-ethylfurost-20(22)-en-3β-ol","","- C29 H46 O3 -","- C29 H46 O3 -","- C58 H92 O6 -","2","1","BT4138","Guerrero-Luna, Gabriel; Hernández-Linares, María-Guadalupe; Cárdenas García, Maura; Bernès, Sylvain","(23R,231 S,25S)-231,26-Epoxy-23-ethylfurost-20(22)-en-3β-ol","IUCrData","2023","8","4","","","10.1107/S2414314623003449","","x-ray","0.56083","AgKα","","0.1039","0.0425","","","0.0656","0.0769","","","","","","0.702","","","","has coordinates","282801","2023-04-22","01:43:50","" "1568936","10.0432","0.0005","12.7045","0.0006","14.3846","0.0007","81.305","0.004","84.313","0.004","82.068","0.004","1791.19","0.15","153","2","153","","","","","","","","","4","P -1","-P 1","2","","9-(Pyrrolidinium-1-yl)-9-boranuidabicyclo[3.3.1]nonane","","- C12 H24 B N -","- C12 H24 B N -","- C72 H144 B6 N6 -","6","3","IM4018","Herbig, Marcus; Böhme, Uwe","9-(Pyrrolidinium-1-yl)-9-boranuidabicyclo[3.3.1]nonane","IUCrData","2023","8","4","","","10.1107/S2414314623003322","","","0.71073","MoKα","","0.0572","0.0432","","","0.1035","0.1153","","","","","","1.043","","","","has coordinates,has disorder","282802","2023-04-22","01:44:15","" "1568937","16.1752","0.0002","8.3402","0.0001","16.1713","0.0002","90","","112.533","0.001","90","","2015.04","0.05","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Mo N4 O4 -","- C18 H24 Mo N4 O4 -","- C72 H96 Mo4 N16 O16 -","4","1","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion vs. metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","1.54184","CuKα","","0.0243","0.0238","","","0.0636","0.064","","","","","","1.054","","","","has coordinates","284219","2023-06-05","04:00:21","" "1568938","29.705","0.006","9.751","0.002","14.098","0.003","90","","105.68","0.03","90","","3931.6","1.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Mo N4 O4 -","- C18 H20 Mo N4 O4 -","- C144 H160 Mo8 N32 O32 -","8","1","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion vs. metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","0.71073","MoKα","","0.0297","0.028","","","0.072","0.073","","","","","","1.117","","","","has coordinates","284219","2023-06-05","04:00:21","" "1568939","12.6201","0.0003","23.4471","0.0005","14.4084","0.0003","90","","96.396","0.002","90","","4236.98","0.16","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C89 H108 Mg2 Mo N4 O10 -","- C89 H108 Mg2 Mo N4 O10 -","- C178 H216 Mg4 Mo2 N8 O20 -","2","0.5","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion vs. metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","0.71073","MoKα","","0.0376","0.0321","","","0.0809","0.0839","","","","","","1.029","","","","has coordinates,has disorder","284219","2023-06-05","04:00:21","" "1568940","12.5268","0.0003","15.3082","0.0004","17.5288","0.0004","83.714","0.002","89.854","0.002","65.992","0.003","3048.85","0.15","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C130 H170 Mg4 N8 O8 -","- C130 H170 Mg4 N8 O8 -","- C130 H170 Mg4 N8 O8 -","1","0.5","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion vs. metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","1.54184","CuKα","","0.1008","0.0792","","","0.1998","0.2118","","","","","","1.121","","","","has coordinates","284219","2023-06-05","04:00:21","" "1568941","12.471","0.003","23.565","0.005","29.107","0.006","90","","91.73","0.03","90","","8550","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H108 Mg2 Mo N6 O9 -","- C88 H108 Mg2 Mo N6 O9 -","- C352 H432 Mg8 Mo4 N24 O36 -","4","1","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion vs. metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","0.7109","Synchrotron","","0.0426","0.0388","","","0.108","0.1113","","","","","","1.029","","","","has coordinates","284219","2023-06-05","04:00:22","" "1568942","12.18","0.002","17.74","0.004","19.44","0.004","87.54","0.03","87.79","0.03","87.49","0.03","4189.7","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C178 H254 Mg4 N12 O12 -","- C178 H254 Mg4 N12 O12 -","- C178 H254 Mg4 N12 O12 -","1","0.5","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion vs. metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","0.7109","Synchrotron","","0.0513","0.0437","","","0.1115","0.1182","","","","","","1.046","","","","has coordinates","284219","2023-06-05","04:00:22","" "1568943","13.04","0.003","48.66","0.01","13.39","0.003","90","","113.04","0.03","90","","7819","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H102 Mg2 Mo N6 O9 -","- C81 H102 Mg2 Mo N6 O9 -","- C324 H408 Mg8 Mo4 N24 O36 -","4","1","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion vs. metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","0.7109","Synchrotron","","0.0625","0.0451","","","0.1157","0.1256","","","","","","1.033","","","","has coordinates","284219","2023-06-05","04:00:22","" "1568944","10.152","0.0001","12.5705","0.0002","23.1569","0.0003","102.344","0.001","99.85","0.001","97.607","0.001","2800.15","0.07","100","0.12","100","0.12","","","","","","","","8","P -1","-P 1","2","","","","- C64 H54 B Cl4 F4 O Os P3 -","- C64 H54 B Cl4 F4 O Os P3 -","- C128 H108 B2 Cl8 F8 O2 Os2 P6 -","2","1","","Li, Qian; Fei, Jiawei; Ruan, Kaidong; Hua, Yuhui; Chen, Dafa; Luo, Ming; Xia, Haiping","Reshaping aromatic frameworks: expansion of aromatic system drives metallabenzenoids to metallapentalenes.","Chemical science","2023","14","21","5672","5680","10.1039/d3sc01491f","","x-ray","1.54184","CuKα","","0.0596","0.055","","","0.1463","0.1489","","","","","","1.06","","","","has coordinates,has disorder","284244","2023-06-05","04:11:36","" "1568945","10.1361","0.0002","12.2229","0.0002","22.8285","0.0004","93.994","0.001","94.966","0.002","95.826","0.002","2794.32","0.09","99.98","0.13","99.98","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C64 H54 B Cl4 F4 Os P3 -","- C64 H54 B Cl4 F4 Os P3 -","- C128 H108 B2 Cl8 F8 Os2 P6 -","2","1","","Li, Qian; Fei, Jiawei; Ruan, Kaidong; Hua, Yuhui; Chen, Dafa; Luo, Ming; Xia, Haiping","Reshaping aromatic frameworks: expansion of aromatic system drives metallabenzenoids to metallapentalenes.","Chemical science","2023","14","21","5672","5680","10.1039/d3sc01491f","","x-ray","1.54184","CuKα","","0.0462","0.0434","","","0.1082","0.1097","","","","","","1.048","","","","has coordinates,has disorder","284244","2023-06-05","04:11:37","" "1568946","12.7074","0.0001","15.8642","0.0001","19.7026","0.0001","108.227","0.001","96.231","0.001","98.117","0.001","3685.24","0.05","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C83 H72 Cl8 O2 Os P4 -","- C83 H72 Cl8 O2 Os P4 -","- C166 H144 Cl16 O4 Os2 P8 -","2","1","","Li, Qian; Fei, Jiawei; Ruan, Kaidong; Hua, Yuhui; Chen, Dafa; Luo, Ming; Xia, Haiping","Reshaping aromatic frameworks: expansion of aromatic system drives metallabenzenoids to metallapentalenes.","Chemical science","2023","14","21","5672","5680","10.1039/d3sc01491f","","x-ray","0.71073","MoKα","","0.0315","0.0267","","","0.0629","0.0642","","","","","","1.064","","","","has coordinates","284244","2023-06-05","04:11:37","" "1568947","10.9449","0.0002","13.156","0.0005","14.6317","0.0006","77.386","0.003","82.198","0.003","89.881","0.002","2036.12","0.12","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 I N O3 S -","- C21 H22 I N O3 S -","- C84 H88 I4 N4 O12 S4 -","4","2","","Milosavljevic, Aleksa; Holt, Connor; Frontier, Alison J.","Nitrogen-interrupted halo-Prins/halo-Nazarov fragment coupling cascade for the synthesis of indolines.","Chemical science","2023","14","20","5431","5437","10.1039/d3sc00986f","","x-ray","1.54184","CuKα","","0.0819","0.0655","","","0.1814","0.1963","","","","","","1.059","","","","has coordinates","284222","2023-06-05","04:01:43","" "1568948","10.3499","0.0002","11.4812","0.0002","11.8168","0.0002","83.79","0.002","76.551","0.002","65.058","0.002","1238.22","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 I N2 O5 S -","- C27 H25 I N2 O5 S -","- C54 H50 I2 N4 O10 S2 -","2","1","","Milosavljevic, Aleksa; Holt, Connor; Frontier, Alison J.","Nitrogen-interrupted halo-Prins/halo-Nazarov fragment coupling cascade for the synthesis of indolines.","Chemical science","2023","14","20","5431","5437","10.1039/d3sc00986f","","x-ray","1.54184","CuKα","","0.0292","0.0281","","","0.08","0.0807","","","","","","1.14","","","","has coordinates,has disorder","284222","2023-06-05","04:01:43","" "1568949","10.0403","0.0003","10.7542","0.0003","13.6818","0.0002","82.958","0.002","72.346","0.002","62.821","0.003","1252.07","0.07","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H32 I N O3 S -","- C27 H32 I N O3 S -","- C54 H64 I2 N2 O6 S2 -","2","1","","Milosavljevic, Aleksa; Holt, Connor; Frontier, Alison J.","Nitrogen-interrupted halo-Prins/halo-Nazarov fragment coupling cascade for the synthesis of indolines.","Chemical science","2023","14","20","5431","5437","10.1039/d3sc00986f","","x-ray","1.54184","CuKα","","0.0294","0.0288","","","0.0727","0.0732","","","","","","1.092","","","","has coordinates,has disorder","284222","2023-06-05","04:01:43","" "1568950","11.82272","0.00018","8.08217","0.0001","14.6182","0.0002","90","","111.144","0.0018","90","","1302.78","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Protich, Zachary; Lowder, Leah L.; Hughes, Russell P.; Wu, Jimmy","Regiodivergent (3 + 2) annulation reactions of oxyallyl cations.","Chemical science","2023","14","19","5196","5203","10.1039/d2sc06999g","","x-ray","1.54184","CuKα","","0.0419","0.0401","","","0.1035","0.1052","","","","","","1.084","","","","has coordinates","284216","2023-06-05","03:58:15","" "1568951","16.0584","0.0002","6.13979","0.00007","13.79498","0.00019","90","","107.514","0.0015","90","","1297.07","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Protich, Zachary; Lowder, Leah L.; Hughes, Russell P.; Wu, Jimmy","Regiodivergent (3 + 2) annulation reactions of oxyallyl cations.","Chemical science","2023","14","19","5196","5203","10.1039/d2sc06999g","","x-ray","1.54184","CuKα","","0.0402","0.0376","","","0.0987","0.1011","","","","","","1.078","","","","has coordinates","284216","2023-06-05","03:58:22","" "1568952","13.68696","0.00011","6.65657","0.00006","15.4851","0.00013","90","","101.535","0.0008","90","","1382.32","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Br N O -","- C16 H18 Br N O -","- C64 H72 Br4 N4 O4 -","4","1","","Protich, Zachary; Lowder, Leah L.; Hughes, Russell P.; Wu, Jimmy","Regiodivergent (3 + 2) annulation reactions of oxyallyl cations.","Chemical science","2023","14","19","5196","5203","10.1039/d2sc06999g","","x-ray","1.54184","CuKα","","0.0283","0.0278","","","0.0715","0.0719","","","","","","1.126","","","","has coordinates","284216","2023-06-05","03:58:24","" "1568953","8.88043","0.00012","10.96832","0.00016","14.65499","0.00019","90","","101.387","0.0013","90","","1399.35","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Br N O -","- C16 H18 Br N O -","- C64 H72 Br4 N4 O4 -","4","1","","Protich, Zachary; Lowder, Leah L.; Hughes, Russell P.; Wu, Jimmy","Regiodivergent (3 + 2) annulation reactions of oxyallyl cations.","Chemical science","2023","14","19","5196","5203","10.1039/d2sc06999g","","x-ray","1.54184","CuKα","","0.0236","0.0227","","","0.0575","0.058","","","","","","1.062","","","","has coordinates","284216","2023-06-05","03:58:25","" "1568954","14.04898","0.00014","6.21142","0.00006","15.50317","0.00018","90","","106.125","0.0012","90","","1299.65","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Protich, Zachary; Lowder, Leah L.; Hughes, Russell P.; Wu, Jimmy","Regiodivergent (3 + 2) annulation reactions of oxyallyl cations.","Chemical science","2023","14","19","5196","5203","10.1039/d2sc06999g","","x-ray","1.54184","CuKα","","0.039","0.0379","","","0.0959","0.0967","","","","","","1.088","","","","has coordinates","284216","2023-06-05","03:58:25","" "1568955","6.79993","0.00004","15.8969","0.00008","18.74294","0.0001","90","","90","","90","","2026.07","0.019","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","","Chang, Xin; Liu, Xue-Tao; Li, Fangfang; Yang, Yuhong; Chung, Lung Wa; Wang, Chun-Jiang","Electron-rich benzofulvenes as effective dipolarophiles in copper(i)-catalyzed asymmetric 1,3-dipolar cycloaddition of azomethine ylides.","Chemical science","2023","14","20","5460","5469","10.1039/d3sc00435j","","x-ray","1.54184","CuKα","","0.0312","0.0306","","","0.0812","0.0817","","","","","","1.046","","","","has coordinates","284224","2023-06-05","04:02:39","" "1568956","10.764","0.0004","15.5751","0.0005","29.2364","0.0008","90","","90","","90","","4901.5","0.3","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H48 F6 N2 O4 -","- C62 H48 F6 N2 O4 -","- C248 H192 F24 N8 O16 -","4","1","","Chang, Xin; Liu, Xue-Tao; Li, Fangfang; Yang, Yuhong; Chung, Lung Wa; Wang, Chun-Jiang","Electron-rich benzofulvenes as effective dipolarophiles in copper(i)-catalyzed asymmetric 1,3-dipolar cycloaddition of azomethine ylides.","Chemical science","2023","14","20","5460","5469","10.1039/d3sc00435j","","x-ray","1.54184","CuKα","","0.052","0.0438","","","0.1159","0.1239","","","","","","1.109","","","","has coordinates,has disorder","284224","2023-06-05","04:02:50","" "1568957","7.373","0.003","12.555","0.004","12.999","0.005","90","","95.859","0.012","90","","1197","0.8","100","","100","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C11 H24 Cu10 I8 N4 O4.33 S4 -","- C11 H24 Cu10 I8 N4 O4.3332 S4 -","- C11 H24 Cu10 I8 N4 O4.3332 S4 -","1","0.25","","Dutta, Camelia; Maniappan, Sonia; Kumar, Jatish","Delayed luminescence guided enhanced circularly polarized emission in atomically precise copper nanoclusters.","Chemical science","2023","14","21","5593","5601","10.1039/d3sc00686g","","","0.71073","MoKα","","0.0968","0.0685","","","0.1756","0.2021","","","","","","1.045","","","","has coordinates","284242","2023-06-05","04:10:26","" "1568958","7.155","0.007","7.155","0.007","12.562","0.018","92.42","0.03","92.42","0.03","118.1","","565.4","1.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C2.5 H4 Cu2.5 I2 N0.5 O1.5 S -","- C2.5 H4 Cu2.5 I2 N0.5 O1.5 S -","- C5 H8 Cu5 I4 N O3 S2 -","2","1","","Dutta, Camelia; Maniappan, Sonia; Kumar, Jatish","Delayed luminescence guided enhanced circularly polarized emission in atomically precise copper nanoclusters.","Chemical science","2023","14","21","5593","5601","10.1039/d3sc00686g","","","0.71073","MoKα","","0.2766","0.1417","","","0.3482","0.4197","","","","","","1.14","","","","has coordinates,has disorder","284242","2023-06-05","04:10:27","" "1568959","10.7293","0.0006","11.8938","0.0008","12.7361","0.0008","112.102","0.006","97.669","0.005","93.798","0.005","1480.33","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H90 Cl2 N4 O21 V6 -","- C44 H90 Cl2 N4 O21 V6 -","- C44 H90 Cl2 N4 O21 V6 -","1","0.5","","Salazar Marcano, David E.; Kalandia, Givi; Moussawi, Mhamad Aly; Van Hecke, Kristof; Parac-Vogt, Tatjana N","Rational synthesis of elusive organic-inorganic hybrid metal-oxo clusters: formation and post-functionalization of hexavanadates.","Chemical science","2023","14","20","5405","5414","10.1039/d3sc00038a","","x-ray","1.54184","CuKα","","0.0859","0.0547","","","0.1344","0.1567","","","","","","1.025","","","","has coordinates","284229","2023-06-05","04:04:09","" "1568960","10.631","0.0001","19.74","0.0002","18.5098","0.0002","90","","90.019","0.001","90","","3884.39","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H110 Cl6 N4 O25 V6 -","- C56 H110 Cl6 N4 O25 V6 -","- C112 H220 Cl12 N8 O50 V12 -","2","0.5","","Salazar Marcano, David E.; Kalandia, Givi; Moussawi, Mhamad Aly; Van Hecke, Kristof; Parac-Vogt, Tatjana N","Rational synthesis of elusive organic-inorganic hybrid metal-oxo clusters: formation and post-functionalization of hexavanadates.","Chemical science","2023","14","20","5405","5414","10.1039/d3sc00038a","","x-ray","1.54184","CuKα","","0.0558","0.0418","","","0.0933","0.1057","","","","","","1.095","","","","has coordinates","284229","2023-06-05","04:04:09","" "1568961","16.1374","0.0005","10.0281","0.0003","20.5528","0.0005","90","","112.651","0.0017","90","","3069.46","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 O6 -","- C38 H30 O6 -","- C152 H120 O24 -","4","1","","Rivera, Edris; Paul, Indrajit; Fajardo, Jr, Javier; Garcia-Garibay, Miguel A","Quantum chain amplification in nanocrystalline Dewar benzenes by intramolecular sensitization.","Chemical science","2023","14","21","5802","5810","10.1039/d3sc01074k","","","1.54178","CuKα","","0.0797","0.0686","","","0.1538","0.1586","","","","","","1.137","","","","has coordinates,has disorder","284241","2023-06-05","04:10:18","" "1568962","6.8379","0.0003","16.3952","0.0005","22.7541","0.0008","90","","90","","90","","2550.93","0.16","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 N O5 S -","- C31 H23 N O5 S -","- C124 H92 N4 O20 S4 -","4","1","","Liu, Li-Xia; Bai, Yu-Qing; Li, Xiang; Yu, Chang-Bin; Zhou, Yong-Gui","Palladium-catalyzed asymmetric allenylic alkylation: construction of multiple chiral thiochromanone derivatives.","Chemical science","2023","14","20","5477","5482","10.1039/d3sc01060k","","","0.71073","MoKα","","0.0415","0.0366","","","0.0887","0.0925","","","","","","1.025","","","","has coordinates","284221","2023-06-05","04:01:29","" "1568963","33.855","0.002","8.1449","0.0005","17.6248","0.001","90","","96.65","0.005","90","","4827.3","0.5","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 Cl0.12 N2 O0.12 S2 -","- C29 H26 N2 S2 -","- C232 H208 N16 S16 -","8","2","","Hu, Yang; Zhang, Lihui; Wang, Zhuang; Hu, Rongrong; Tang, Ben Zhong","Economical synthesis of functional aromatic polythioamides from KOH-assisted multicomponent polymerizations of sulfur, aromatic diamines and dialdehydes","Polymer Chemistry","2023","14","21","2617","2623","10.1039/D2PY01560A","","x-ray","1.54184","CuKα","","0.2085","0.1658","","","0.3803","0.4115","","","","","","1.376","","","","has coordinates","284981","2023-07-05","11:04:42","" "1568964","8.3546","0.0004","12.4468","0.0005","15.4504","0.0006","85.54","0.002","79.66","0.002","76.997","0.002","1538.86","0.11","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","Bis{μ-1,1'-(o-xylylene)bis[4-(pyridin-2-yl)triazole]-κN^3^:N^3'^}dipalladium(II) tetrakis(tetrafluoridoborate)–dimethylformamide–diethyl ether (1/2/1)","","- C54 H60 B4 F16 N18 O3 Pd2 -","- C54 H60 B4 F16 N18 O3 Pd2 -","- C54 H60 B4 F16 N18 O3 Pd2 -","1","0.5","","Pokharel, Uttam; Naquin, Aaron; Fronczek, Frank","Synthesis and crystal structure of a PdII complex of ortho-xylylenebis(pyridyltriazole)","IUCrData","2023","8","4","","","10.1107/S2414314623003620","","","1.54184","CuKα","","0.0326","0.0289","","","0.0738","0.0759","","","","","","1.03","","","","has coordinates,has disorder","282851","2023-04-26","02:02:03","" "1568965","9.5178","0.0017","10.1995","0.0019","14.589","0.002","81.516","0.006","83.142","0.006","72.351","0.007","1330.6","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","(N-Benzoyl-N-phenylhydroxylaminato)carbonyl(triphenylarsine)rhodium(I)","","- C32 H25 As N O3 Rh -","- C32 H25 As N O3 Rh -","- C64 H50 As2 N2 O6 Rh2 -","2","1","WM4184","Motente, Mokete A.; Venter, Johan; Brink, Alice","(N-Benzoyl-N-phenylhydroxylaminato)carbonyl(triphenylarsine)rhodium(I)","IUCrData","2023","8","4","","","10.1107/S2414314623003553","","","0.71073","MoKα","","0.0355","0.0299","","","0.0707","0.0739","","","","","","1.067","","","","has coordinates","282852","2023-04-26","02:02:44","" "1568966","35.08","0.0007","36.9265","0.0007","34.8114","0.0006","90","","90","","90","","45094","1.5","100","2","100.15","","","","","","","","","5","C c m e","-C 2ac 2ac","64","","","","- Cs10 Fe30 Mo84 O382 P -","- Cs10 Fe30 Mo83.9992 O382 P -","- Cs40 Fe120 Mo335.997 O1528 P4 -","4","0.25","","Tamai, Nanako; Ogiwara, Naoki; Hayashi, Eri; Kamata, Keigo; Misawa, Toshiyuki; Ito, Takeru; Kojima, Tatsuhiro; Segado, Mireia; Petrus, Enric; Bo, Carles; Uchida, Sayaka","A redox-active inorganic crown ether based on a polyoxometalate capsule.","Chemical science","2023","14","20","5453","5459","10.1039/d3sc01077e","","","0.4132","synchrotron","","0.0905","0.0701","","","0.1797","0.1939","","","","","","1.021","","","","has coordinates,has disorder","284226","2023-06-05","04:03:28","" "1568967","20.883","0.0007","27.5133","0.0009","33.7675","0.0011","90","","97.309","0.002","90","","19243.8","1.1","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C1158 H672 -","- C1158 H672 -","- C1158 H672 -","1","0.25","","Fang, Pengwei; Chen, Muqing; Yin, Nan; Zhuang, Guilin; Chen, Tianyun; Zhang, Xinyu; Du, Pingwu","Regulating supramolecular interactions in dimeric macrocycles.","Chemical science","2023","14","20","5425","5430","10.1039/d3sc00035d","","","1.34138","GaKα","","0.1055","0.0904","","","0.263","0.279","","","","","","1.039","","","","has coordinates,has disorder","284220","2023-06-05","04:01:17","" "1568968","15.9267","0.0003","20.9291","0.0004","22.0491","0.0005","90.828","0.002","108.688","0.002","93.047","0.002","6948.5","0.3","100","0.1","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C176 H107 Cl2 -","- C176 H107 Cl2 -","- C352 H214 Cl4 -","2","1","","Fang, Pengwei; Chen, Muqing; Yin, Nan; Zhuang, Guilin; Chen, Tianyun; Zhang, Xinyu; Du, Pingwu","Regulating supramolecular interactions in dimeric macrocycles.","Chemical science","2023","14","20","5425","5430","10.1039/d3sc00035d","","","1.54184","CuKα","","0.1311","0.1178","","","0.341","0.3518","","","","","","1.028","","","","has coordinates,has disorder","284220","2023-06-05","04:01:17","" "1568969","20.6555","0.0002","38.6556","0.0005","25.2345","0.0003","90","","105.331","0.001","90","","19431.5","0.4","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C315 H110 -","- C315 H110 -","- C1260 H440 -","4","1","","Fang, Pengwei; Chen, Muqing; Yin, Nan; Zhuang, Guilin; Chen, Tianyun; Zhang, Xinyu; Du, Pingwu","Regulating supramolecular interactions in dimeric macrocycles.","Chemical science","2023","14","20","5425","5430","10.1039/d3sc00035d","","","1.54184","CuKα","","0.1629","0.1416","","","0.4175","0.4408","","","","","","1.063","","","","has coordinates,has disorder","284220","2023-06-05","04:01:17","" "1568970","9.5099","0.0002","18.1304","0.0003","14.0225","0.0002","90","","105.611","0.002","90","","2328.55","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-allyl (2-benzhydryl-5-chloro-1-(2-oxooxazolidin-3-yl)pent-1-en-1-yl) carbonate","","- C25 H26 Cl N O5 -","- C25 H26 Cl N O5 -","- C100 H104 Cl4 N4 O20 -","4","1","","Xiao, Yuanjiu; Tang, Lei; Xu, Tong-Tong; Sheng, Jiang-Yi-Hui; Zhou, Zhongyan; Yue, Lei; Wang, Guoqiang; Oestreich, Martin; Feng, Jian-Jun","Atom-economic and stereoselective catalytic synthesis of fully substituted enol esters/carbonates of amides in acyclic systems enabled by boron Lewis acid catalysis.","Chemical science","2023","14","21","5608","5618","10.1039/d3sc01394d","","x-ray","1.54184","CuKα","","0.0393","0.0363","","","0.0899","0.0918","","","","","","1.057","","","","has coordinates","284246","2023-06-05","04:13:34","" "1568971","9.783","0.0018","10.941","0.002","22.744","0.004","90","","90","","90","","2434.4","0.8","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Z)-1-(2-oxooxazolidin-3-yl)-2,3,3-triphenylprop-1-en-1-yl 4-fluorobenzoate","","- C31 H24 F N O4 -","- C31 H24 F N O4 -","- C124 H96 F4 N4 O16 -","4","1","","Xiao, Yuanjiu; Tang, Lei; Xu, Tong-Tong; Sheng, Jiang-Yi-Hui; Zhou, Zhongyan; Yue, Lei; Wang, Guoqiang; Oestreich, Martin; Feng, Jian-Jun","Atom-economic and stereoselective catalytic synthesis of fully substituted enol esters/carbonates of amides in acyclic systems enabled by boron Lewis acid catalysis.","Chemical science","2023","14","21","5608","5618","10.1039/d3sc01394d","","","0.71073","MoKα","","0.092","0.0714","","","0.1716","0.198","","","","","","1.082","","","","has coordinates","284246","2023-06-05","04:13:35","" "1568972","10.1202","0.0005","16.297","0.0008","10.7828","0.0005","90","","107.539","0.002","90","","1695.72","0.14","100","2","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C29 H45 B Cl5 Ga N2 -","- C29 H45 B Cl5 Ga N2 -","- C58 H90 B2 Cl10 Ga2 N4 -","2","0.5","","Kundu, Gargi; Amrutha, P. R.; Raj, K. Vipin; Tothadi, Srinu; Vanka, Kumar; Sen, Sakya S.","Taming the parent oxoborane.","Chemical science","2023","14","22","5894","5898","10.1039/d3sc01544k","","","0.71073","MoKα","","0.0476","0.0394","","","0.0932","0.0989","","","","","","1.028","","","","has coordinates","284892","2023-07-05","09:41:59","" "1568973","10.6403","0.0013","16.18","0.002","10.8244","0.0012","90","","111.793","0.004","90","","1730.3","0.4","100","","100","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C29 H43 B Cl5 Ga N2 O2 -","- C29 H43 B Cl5 Ga N2 O2 -","- C58 H86 B2 Cl10 Ga2 N4 O4 -","2","0.5","","Kundu, Gargi; Amrutha, P. R.; Raj, K. Vipin; Tothadi, Srinu; Vanka, Kumar; Sen, Sakya S.","Taming the parent oxoborane.","Chemical science","2023","14","22","5894","5898","10.1039/d3sc01544k","","","0.71073","MoKα","","0.0738","0.0711","","","0.1884","0.1899","","","","","","1.128","","","","has coordinates","284892","2023-07-05","09:42:00","" "1568974","10.613","0.004","11.052","0.004","18.616","0.007","76.655","0.013","88.743","0.012","66.846","0.013","1947.7","1.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H41 B Cl6 Ga2 N2 O -","- C28 H41 B Cl6 Ga2 N2 O -","- C56 H82 B2 Cl12 Ga4 N4 O2 -","2","1","","Kundu, Gargi; Amrutha, P. R.; Raj, K. Vipin; Tothadi, Srinu; Vanka, Kumar; Sen, Sakya S.","Taming the parent oxoborane.","Chemical science","2023","14","22","5894","5898","10.1039/d3sc01544k","","","0.71073","MoKα","","0.0741","0.053","","","0.1313","0.1423","","","","","","1.038","","","","has coordinates","284892","2023-07-05","09:42:00","" "1568975","11.2116","0.0009","17.2969","0.0013","19.8432","0.0015","64.903","0.002","89.935","0.002","74.563","0.002","3331.4","0.5","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H80 N6 O16 Ru4 -","- C64 H80 N6 O16 Ru4 -","- C128 H160 N12 O32 Ru8 -","2","1","","Cosio, Mario N.; Alharbi, Waad S.; Sur, Aishanee; Wang, Chen-Hao; Najafian, Ahmad; Cundari, Thomas R.; Powers, David C.","On the mechanism of intermolecular nitrogen-atom transfer from a lattice-isolated diruthenium nitride intermediate.","Faraday discussions","2023","244","0","154","168","10.1039/d2fd00167e","","","0.71073","MoKα","","0.1035","0.0842","","","0.1766","0.185","","","","","","1.25","","","","has coordinates","286133","2023-09-05","19:54:49","" "1568976","22.0822","0.0004","22.0822","0.0004","6.1544","0.0002","90","","90","","120","","2598.97","0.11","293","2","293","2","","","","","","","","7","P 63 m c","P 6c -2c","186","Rb3K6Li2Mn4Ga12S27Cl1","","","- Cl Ga12 K6 Li2 Mn4 Rb3 S27 -","- Cl Ga12 K6 Li2.0001 Mn3.9999 Rb3 S27 -","- Cl2 Ga24 K12 Li4.0002 Mn7.9998 Rb6 S54 -","2","0.166667","","Pei, Shao-Min; Liu, Bin-Wen; Chen, Wen-Fa; Jiang, Xiao-Ming; Guo, Guo-Cong","Breaking the bottleneck of simultaneously wide band gap and large nonlinear optical coefficient by a ""pore reconstruction"" strategy in a salt-inclusion chalcogenide.","Materials horizons","2023","10","8","2921","2926","10.1039/d3mh00389b","","","0.71073","MoKα","","0.0617","0.0573","","","0.1829","0.1883","","","","","","1.064","","","","has coordinates","285538","2023-08-05","09:39:00","" "1568978","13.745","0.004","17.557","0.005","25.813","0.01","90","","90","","90","","6229","4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H50 Bi3 F9 N4 O17 S3 -","- C52 H50 Bi3 F9 N4 O17 S3 -","- C208 H200 Bi12 F36 N16 O68 S12 -","4","1","","Oberdorf, Kai; Hanft, Anna; Xie, Xiulan; Bickelhaupt, F. Matthias; Poater, Jordi; Lichtenberg, Crispin","Insertion of CO2 and CS2 into Bi-N bonds enables catalyzed CH-activation and light-induced bismuthinidene transfer.","Chemical science","2023","14","19","5214","5219","10.1039/d3sc01635h","","","0.71073","MoKα","","0.0263","0.0231","","","0.0541","0.0552","","","","","","1.028","","","","has coordinates,has disorder","284218","2023-06-05","03:59:31","" "1568979","17.7035","0.0014","24.613","0.002","14.9608","0.0012","90","","90","","90","","6519","0.9","100","2","100","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C22 H27 Bi F3 N O6 S3 -","- C22 H27 Bi F3 N O6 S3 -","- C176 H216 Bi8 F24 N8 O48 S24 -","8","1","","Oberdorf, Kai; Hanft, Anna; Xie, Xiulan; Bickelhaupt, F. Matthias; Poater, Jordi; Lichtenberg, Crispin","Insertion of CO2 and CS2 into Bi-N bonds enables catalyzed CH-activation and light-induced bismuthinidene transfer.","Chemical science","2023","14","19","5214","5219","10.1039/d3sc01635h","","","0.71073","MoKα","","0.0304","0.0218","","","0.0522","0.0558","","","","","","1.053","","","","has coordinates,has disorder","284218","2023-06-05","03:59:31","" "1568980","10.16","0.006","18.258","0.013","14.044","0.008","90","","109.56","0.03","90","","2455","3","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 Bi F3 N O5 S -","- C23 H29 Bi F3 N O5 S -","- C92 H116 Bi4 F12 N4 O20 S4 -","4","1","","Oberdorf, Kai; Hanft, Anna; Xie, Xiulan; Bickelhaupt, F. Matthias; Poater, Jordi; Lichtenberg, Crispin","Insertion of CO2 and CS2 into Bi-N bonds enables catalyzed CH-activation and light-induced bismuthinidene transfer.","Chemical science","2023","14","19","5214","5219","10.1039/d3sc01635h","","","0.71073","MoKα","","0.03","0.0262","","","0.0674","0.0698","","","","","","0.898","","","","has coordinates","284218","2023-06-05","03:59:31","" "1568981","3.99152","0.00002","5.8223","0.00003","5.86394","0.00003","90","","90","","90","","136.277","0.0012","","","300","","","","100","","","","","3","A m m 2","A 2 -2","38","RbNbO3 orthorhombic perovskite","","","- Nb O3 Rb -","- Nb O3 Rb -","- Nb2 O6 Rb2 -","2","0.25","","Fukuda, M.; Yamaura, K.","Experimental studies on crystal structures and phase transitions in perovskite-type RbNbO3 : At 300 K","Journal of the Ceramic Society of Japan","2023","131","","126","129","10.2109/jcersj2.23012","","","","","","","","","","","","","","","","","","","","","has coordinates","286635","2023-10-03","02:58:47","" "1568982","4.00874","0.00002","4.00874","0.00002","4.3152","0.00002","90","","90","","90","","69.3452","0.0006","","","540","","","","100","","","","","3","P 4 m m","P 4 -2","99","RbNbO3 tetragonal perovskite","","","- Nb O3 Rb -","- Nb O3 Rb -","- Nb O3 Rb -","1","0.125","","Fukuda, M.; Yamaura, K.","Experimental studies on crystal structures and phase transitions in perovskite-type RbNbO3 : At 540 K","Journal of the Ceramic Society of Japan","2023","131","","126","129","10.2109/jcersj2.23012","","","","","","","","","","","","","","","","","","","","","has coordinates","286636","2023-10-03","03:00:44","" "1568983","3.8141","0.0003","15.617","0.006","2.9664","0.0006","90","","90","","90","","176.69","0.08","","","298","","","","100","","","","","4","C m c m","-C 2c 2","63","K0.75Li0.25Ti1.75O4","","","- K0.75 Li0.25 O4 Ti1.75 -","- K0.742 Li0.25 O4 Ti1.75 -","- K1.484 Li0.5 O8 Ti3.5 -","2","0.125","","Makise, K.; Takei, T.; Saito, N.; Yamanaka, J.; Kumada, N.; Mori, H.; Ito, N.; Goto, T.","Crystal structure and ion-exchange properties of a lepidocrocite-like sodium titanate : K0.75Li0.25Ti1.75O4","Journal of Asian Ceramic Societies","2023","11","","170","177","10.1080/21870764.2023.2173849","","","","","","","","","","","","","","","","","","","","","has coordinates","282927","2023-05-01","09:32:53","" "1568984","3.783","0.0003","14.578","0.005","2.9723","0.0003","90","","90","","90","","163.92","0.06","","","473","","","","100","","","","","4","C m c m","-C 2c 2","63","Na0.75Li0.25Ti1.75O4 at 200 C","","","- Li0.25 Na0.75 O4 Ti1.75 -","- Li0.25 Na0.672 O4 Ti1.75 -","- Li0.5 Na1.344 O8 Ti3.5 -","2","0.125","","Makise, K.; Takei, T.; Saito, N.; Yamanaka, J.; Kumada, N.; Mori, H.; Ito, N.; Goto, T.","Crystal structure and ion-exchange properties of a lepidocrocite-like sodium titanate : Na0.75Li0.25Ti1.75O4 at 200 C","Journal of Asian Ceramic Societies","2023","11","","170","177","10.1080/21870764.2023.2173849","","","","","","","","","","","","","","","","","","","","","has coordinates","282928","2023-05-01","09:33:42","" "1568985","2.984","0.0001","3.7997","0.00001","11.4992","0.0002","90","","90","","90","","130.381","0.005","","","298","","","","100","","","","","5","P m m 2","P 2 -2","25","Na0.75Li0.25Ti1.75O4 2H2O","","","- H2 Li0.25 Na0.75 O6 Ti1.75 -","- Li0.25 Na0.627 O6 Ti1.75 -","- Li0.25 Na0.627 O6 Ti1.75 -","1","0.25","","Makise, K.; Takei, T.; Saito, N.; Yamanaka, J.; Kumada, N.; Mori, H.; Ito, N.; Goto, T.","Crystal structure and ion-exchange properties of a lepidocrocite-like sodium titanate : Na0.75Li0.25Ti1.75O4-2H2O","Journal of Asian Ceramic Societies","2023","11","","170","177","10.1080/21870764.2023.2173849","","","","","","","","","","","","","","","","","","","","","has coordinates","282929","2023-05-01","09:34:51","" "1568986","9.9704","0.0008","21.4506","0.001","9.7628","0.0005","90","","100.735","0.006","90","","2051.4","0.2","152.95","0.1","152.95","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O S -","- C25 H24 N2 O S -","- C100 H96 N8 O4 S4 -","4","1","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.0789","0.0677","","","0.178","0.1891","","","","","","1.049","","","","has coordinates","284248","2023-06-05","04:14:29","" "1568987","8.7409","0.0002","13.9118","0.0003","15.9596","0.0004","90","","89.742","0.002","90","","1940.69","0.08","154","4","154","4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 O S -","- C24 H18 N2 O S -","- C96 H72 N8 O4 S4 -","4","1","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.0557","0.053","","","0.1416","0.1445","","","","","","1.025","","","","has coordinates","284248","2023-06-05","04:14:29","" "1568988","5.5494","0.0008","12.9584","0.0018","13.437","0.002","90","","95.222","0.013","90","","962.3","0.2","153","0.1","153","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O S -","- C23 H20 N2 O S -","- C46 H40 N4 O2 S2 -","2","1","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.093","0.0816","","","0.2222","0.2346","","","","","","1.087","","","","has coordinates,has disorder","284248","2023-06-05","04:14:29","" "1568989","7.1543","0.0002","11.4783","0.0004","23.2717","0.0009","90","","90","","90","","1911.05","0.11","153","1","153","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N3 O S -","- C23 H17 N3 O S -","- C92 H68 N12 O4 S4 -","4","1","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.0535","0.0493","","","0.1307","0.1355","","","","","","1.065","","","","has coordinates","284248","2023-06-05","04:14:29","" "1568990","15.6601","0.0002","7.171","0.0001","12.7203","0.0001","90","","96.163","0.001","90","","1420.22","0.03","153","0.1","153","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O2 S -","- C17 H15 N O2 S -","- C68 H60 N4 O8 S4 -","4","1","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.0309","0.0301","","","0.0842","0.085","","","","","","1.068","","","","has coordinates","284248","2023-06-05","04:14:29","" "1568991","12.1913","0.0002","22.6255","0.0003","13.0947","0.0002","90","","97.309","0.001","90","","3582.62","0.09","153","0.1","153","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H12 N2 O S -","- C23 H12 N2 O S -","- C184 H96 N16 O8 S8 -","8","2","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.0513","0.0446","","","0.1111","0.1164","","","","","","1.02","","","","has coordinates","284248","2023-06-05","04:14:29","" "1568992","8.5323","0.0005","9.6457","0.0006","13.8826","0.0008","90","","84.748","0.003","90","","1137.74","0.12","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H22 Br8 N2 Te -","- C8 H22 Br8 N2 Te -","- C16 H44 Br16 N4 Te2 -","2","1","","Zhao, Bing-Qing; Chen, Xiao-Xian; Ye, Hui; Gong, Ya-Ping; Wang, Jun; Ye, Le; Zhang, Wei-Xiong","An anomalous ferroelastic phase transition arising from an unusual cis-/anti-conformational reversal of polar organic cations.","Chemical science","2023","14","22","5965","5973","10.1039/d3sc01101a","","","0.71073","MoKα","","0.0633","0.0604","","","0.1728","0.1754","","","","","","1.065","","","","has coordinates","284890","2023-07-05","09:39:27","" "1568993","17.227","0.0002","9.6868","0.0001","14.0647","0.0002","90","","90","","90","","2347.04","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H22 Br8 N2 Sn -","- C8 H22 Br8 N2 Sn -","- C32 H88 Br32 N8 Sn4 -","4","1","","Zhao, Bing-Qing; Chen, Xiao-Xian; Ye, Hui; Gong, Ya-Ping; Wang, Jun; Ye, Le; Zhang, Wei-Xiong","An anomalous ferroelastic phase transition arising from an unusual cis-/anti-conformational reversal of polar organic cations.","Chemical science","2023","14","22","5965","5973","10.1039/d3sc01101a","","","1.54184","CuKα","","0.0417","0.0406","","","0.1103","0.1121","","","","","","1.054","","","","has coordinates,has disorder","284890","2023-07-05","09:39:39","" "1568994","8.7336","0.0008","9.84","0.0008","13.8013","0.001","90","","90","","90","","1186.06","0.17","325","","325","","","","","","","","","5","P m 21 n","P -2ab -2","31","","","","- C8 H22 Br8 N2 Te -","- C7.5 H22 Br8 N2 Te -","- C15 H44 Br16 N4 Te2 -","2","0.5","","Zhao, Bing-Qing; Chen, Xiao-Xian; Ye, Hui; Gong, Ya-Ping; Wang, Jun; Ye, Le; Zhang, Wei-Xiong","An anomalous ferroelastic phase transition arising from an unusual cis-/anti-conformational reversal of polar organic cations.","Chemical science","2023","14","22","5965","5973","10.1039/d3sc01101a","","","1.34138","GaKα","","0.115","0.0823","","","0.245","0.2933","","","","","","0.993","","","","has coordinates,has disorder","284890","2023-07-05","09:39:42","" "1568995","8.7521","0.0007","9.7104","0.0006","14.0201","0.0011","90","","94.43","0.008","90","","1187.96","0.15","350","2","350","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H22 Br8 N2 Sn -","- C8 H22 Br8 N2 Sn -","- C16 H44 Br16 N4 Sn2 -","2","1","","Zhao, Bing-Qing; Chen, Xiao-Xian; Ye, Hui; Gong, Ya-Ping; Wang, Jun; Ye, Le; Zhang, Wei-Xiong","An anomalous ferroelastic phase transition arising from an unusual cis-/anti-conformational reversal of polar organic cations.","Chemical science","2023","14","22","5965","5973","10.1039/d3sc01101a","","","1.54184","CuKα","","0.0885","0.0796","","","0.2463","0.2553","","","","","","1.066","","","","has coordinates,has disorder","284890","2023-07-05","09:39:53","" "1568996","17.9138","0.0006","6.1604","0.0002","15.2956","0.0006","90","","106.418","0.004","90","","1619.14","0.1","150","0.1","150","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H25 O2.5 -","- C18 H25 O2.5 -","- C72 H100 O10 -","4","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from Psoralea corylifolia.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0626","0.0562","","","0.1412","0.1477","","","","","","1.041","","","","has coordinates","284243","2023-06-05","04:11:18","" "1568997","6.55997","0.00012","14.3262","0.0003","17.4645","0.0004","90","","90","","90","","1641.3","0.06","149.95","0.1","149.95","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from Psoralea corylifolia.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.058","0.0541","","","0.1472","0.1513","","","","","","1.043","","","","has coordinates","284243","2023-06-05","04:11:18","" "1568998","6.1934","0.0002","13.5942","0.0004","20.6761","0.0006","90","","90","","90","","1740.81","0.09","149.99","0.1","149.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from Psoralea corylifolia.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0615","0.0519","","","0.1406","0.1477","","","","","","1.103","","","","has coordinates","284243","2023-06-05","04:11:18","" "1568999","6.0277","0.0001","10.7851","0.0002","25.2404","0.0004","90","","90","","90","","1640.86","0.05","149.99","0.1","149.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from Psoralea corylifolia.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0814","0.0792","","","0.1914","0.1933","","","","","","1.068","","","","has coordinates","284243","2023-06-05","04:11:18","" "1569000","15.3362","0.0003","6.9513","0.00012","16.3195","0.0003","90","","101.082","0.0018","90","","1707.32","0.06","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H56 O7 -","- C37 H56 O7 -","- C74 H112 O14 -","2","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from Psoralea corylifolia.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0421","0.0401","","","0.1058","0.1075","","","","","","1.06","","","","has coordinates","284243","2023-06-05","04:11:18","" "1569001","25.3714","0.0005","6.05801","0.0001","23.3168","0.0005","90","","112.787","0.002","90","","3304.09","0.12","150","0.1","150","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C38 H52 O4 -","- C38 H52 O4 -","- C152 H208 O16 -","4","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from Psoralea corylifolia.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0474","0.0446","","","0.1146","0.1169","","","","","","1.069","","","","has coordinates","284243","2023-06-05","04:11:18","" "1569002","9.5123","0.0001","11.7533","0.0002","16.8232","0.0002","109.487","0.001","90.441","0.001","100.671","0.001","1737.54","0.04","149.99","0.1","149.99","0.1","","","","","","","","3","P 1","P 1","1","","","","- C76 H104 O12 -","- C76 H104 O12 -","- C76 H104 O12 -","1","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from Psoralea corylifolia.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0592","0.0558","","","0.1413","0.144","","","","","","1.026","","","","has coordinates,has disorder","284243","2023-06-05","04:11:18","" "1569003","13.6165","0.0006","25.2859","0.001","13.6152","0.0005","90","","90","","90","","4687.8","0.3","173","","173","","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C12 H26 Cl3 Cu2 N4 O6 P3 -","- C12 H26 Cl3 Cu2 N4 O6 P3 -","- C96 H208 Cl24 Cu16 N32 O48 P24 -","8","0.5","","Zhou, Shuigen; Chen, Yihao; Li, Kailei; Liu, Xiaowei; Zhang, Ting; Shen, Wei; Li, Ming; Zhou, Lei; He, Rongxing","Photophysical studies for Cu(i)-based halides: broad excitation bands and highly efficient single-component warm white-light-emitting diodes.","Chemical science","2023","14","20","5415","5424","10.1039/d3sc01762a","","x-ray","0.71073","MoKα","","0.0319","0.0271","","","0.062","0.0645","","","","","","1.032","","","","has coordinates","284227","2023-06-05","04:03:48","" "1569004","13.8592","0.0005","13.8592","0.0005","13.1579","0.0007","90","","90","","90","","2527.34","0.19","193","","193","","","","","","","","","7","P 4/m","-P 4","83","","","","- C12 H20 Cu2 I3 N4 O6 P3 -","- C12 H20 Cu2 I3 N4 O6 P3 -","- C48 H80 Cu8 I12 N16 O24 P12 -","4","0.5","","Zhou, Shuigen; Chen, Yihao; Li, Kailei; Liu, Xiaowei; Zhang, Ting; Shen, Wei; Li, Ming; Zhou, Lei; He, Rongxing","Photophysical studies for Cu(i)-based halides: broad excitation bands and highly efficient single-component warm white-light-emitting diodes.","Chemical science","2023","14","20","5415","5424","10.1039/d3sc01762a","","x-ray","0.71073","MoKα","","0.138","0.1364","","","0.3418","0.3424","","","","","","1.122","","","","has coordinates,has disorder","284227","2023-06-05","04:03:48","" "1569005","13.669","0.0006","13.669","0.0006","51.32","0.003","90","","90","","90","","9588.7","0.8","173","","173","","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C12 H26 Br3 Cu2 N4 O6 P3 -","- C12 H26 Br3 Cu2 N4 O6 P3 -","- C192 H416 Br48 Cu32 N64 O96 P48 -","16","0.5","","Zhou, Shuigen; Chen, Yihao; Li, Kailei; Liu, Xiaowei; Zhang, Ting; Shen, Wei; Li, Ming; Zhou, Lei; He, Rongxing","Photophysical studies for Cu(i)-based halides: broad excitation bands and highly efficient single-component warm white-light-emitting diodes.","Chemical science","2023","14","20","5415","5424","10.1039/d3sc01762a","","x-ray","0.71073","MoKα","","0.0402","0.0323","","","0.0797","0.084","","","","","","1.077","","","","has coordinates","284227","2023-06-05","04:03:48","" "1569006","31.6991","0.0018","18.5153","0.0009","15.1604","0.0008","90","","94.55","0.002","90","","8869.9","0.8","120","2","120.06","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H62 Cl2 Ge N3 -","- C47 H62 Cl2 Ge N3 -","- C376 H496 Cl16 Ge8 N24 -","8","1","","Liu, Xiaona; Dai, Yuyang; Bao, Manling; Wang, Wenjuan; Li, Qianli; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","A crystalline T-shaped planar group 14 anion.","Chemical science","2023","14","21","5722","5727","10.1039/d2sc07006e","","","0.71073","MoKα","","0.0535","0.0428","","","0.1101","0.1172","","","","","","1.0575","","","","has coordinates,has disorder","284245","2023-06-05","04:13:14","" "1569007","12.7334","0.0007","13.204","0.003","14.396","0.0006","98.596","0.005","101.664","0.003","96.759","0.006","2316.3","0.6","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H72 Ge N3 -","- C51 H72 Ge N3 -","- C102 H144 Ge2 N6 -","2","1","","Liu, Xiaona; Dai, Yuyang; Bao, Manling; Wang, Wenjuan; Li, Qianli; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","A crystalline T-shaped planar group 14 anion.","Chemical science","2023","14","21","5722","5727","10.1039/d2sc07006e","","","1.34138","GaKα","","0.0398","0.0383","","","0.0995","0.1008","","","","","","1.054","","","","has coordinates","284245","2023-06-05","04:13:14","" "1569008","14.4571","0.0007","42.796","0.002","15.4362","0.0009","90","","94.595","0.003","90","","9519.8","0.8","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C108.28 H157.32 Li6 N6 -","- C94 H124 Li6 N6 -","- C376 H496 Li24 N24 -","4","1","","Liu, Xiaona; Dai, Yuyang; Bao, Manling; Wang, Wenjuan; Li, Qianli; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","A crystalline T-shaped planar group 14 anion.","Chemical science","2023","14","21","5722","5727","10.1039/d2sc07006e","","","1.34139","GaKα","","0.0975","0.0639","","","0.1761","0.1958","","","","","","1.048","","","","has coordinates","284245","2023-06-05","04:13:14","" "1569009","14.292","0.008","14.502","0.008","15.149","0.009","70.44","0.02","79.46","0.02","67.63","0.02","2730","3","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C114 H168 Ge2 K2 N6 O2 Se2 -","- C94 H124 Ge2 K2 N6 Se2 -","- C94 H124 Ge2 K2 N6 Se2 -","1","0.5","","Liu, Xiaona; Dai, Yuyang; Bao, Manling; Wang, Wenjuan; Li, Qianli; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","A crystalline T-shaped planar group 14 anion.","Chemical science","2023","14","21","5722","5727","10.1039/d2sc07006e","","","1.34139","synchrotron","","0.054","0.0481","","","0.1435","0.1502","","","","","","1.0533","","","","has coordinates,has disorder","284245","2023-06-05","04:13:14","" "1569010","14.1535","","14.2181","","15.1396","","79.781","","70.505","","68.035","","2658.68","","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C108 H154 Ge2 K2 N6 O2 S2 -","- C94 H124 Ge2 K2 N6 S2 -","- C94 H124 Ge2 K2 N6 S2 -","1","0.5","","Liu, Xiaona; Dai, Yuyang; Bao, Manling; Wang, Wenjuan; Li, Qianli; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","A crystalline T-shaped planar group 14 anion.","Chemical science","2023","14","21","5722","5727","10.1039/d2sc07006e","","","1.34139","synchrotron","","0.0706","0.0591","","","0.1839","0.2003","","","","","","1.0354","","","","has coordinates,has disorder","284245","2023-06-05","04:13:14","" "1569011","11.0177","0.0007","21.7711","0.0013","24.2953","0.0016","90","","92.991","0.003","90","","5819.7","0.6","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H86 Ge K N3 O3 -","- C59 H86 Ge K N3 O3 -","- C236 H344 Ge4 K4 N12 O12 -","4","1","","Liu, Xiaona; Dai, Yuyang; Bao, Manling; Wang, Wenjuan; Li, Qianli; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","A crystalline T-shaped planar group 14 anion.","Chemical science","2023","14","21","5722","5727","10.1039/d2sc07006e","","","1.34139","synchrotron","","0.0589","0.0492","","","0.1344","0.1407","","","","","","1.0263","","","","has coordinates,has disorder","284245","2023-06-05","04:13:14","" "1569012","13.0586","0.0002","18.1083","0.0003","18.9686","0.0002","81.401","0.001","80.919","0.001","74.937","0.001","4249.3","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H128 Dy2 K N6 O9 -","- C84 H128 Dy2 K N6 O9 -","- C168 H256 Dy4 K2 N12 O18 -","2","1","","Benner, Florian; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Demir, Selvan","Magnetic hysteresis and large coercivity in bisbenzimidazole radical-bridged dilanthanide complexes.","Chemical science","2023","14","21","5577","5592","10.1039/d3sc01562a","","x-ray","0.71073","MoKα","","0.0561","0.0513","","","0.1308","0.1338","","","","","","1.103","","","","has coordinates,has disorder","284247","2023-06-05","04:13:54","" "1569013","15.59","0.0002","13.659","0.0001","15.5654","0.0002","90","","116.337","0.001","90","","2970.51","0.06","99.99","0.1","99.99","0.1","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C68 H84 Gd2 N4 -","- C68 H84 Gd2 N4 -","- C136 H168 Gd4 N8 -","2","0.25","","Benner, Florian; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Demir, Selvan","Magnetic hysteresis and large coercivity in bisbenzimidazole radical-bridged dilanthanide complexes.","Chemical science","2023","14","21","5577","5592","10.1039/d3sc01562a","","x-ray","1.54184","CuKα","","0.0246","0.024","","","0.061","0.0613","","","","","","1.103","","","","has coordinates,has disorder","284247","2023-06-05","04:13:58","" "1569014","10.5529","0.0006","11.023","0.0006","12.4361","0.0007","67.772","0.001","87.537","0.001","79.199","0.001","1314.78","0.13","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C61 H76 Dy2 N4 -","- C61 H76 Dy2 N4 -","- C61 H76 Dy2 N4 -","1","0.5","","Benner, Florian; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Demir, Selvan","Magnetic hysteresis and large coercivity in bisbenzimidazole radical-bridged dilanthanide complexes.","Chemical science","2023","14","21","5577","5592","10.1039/d3sc01562a","","","0.71073","MoKα","","0.0205","0.0194","","","0.0464","0.0475","","","","","","1.074","","","","has coordinates,has disorder","284247","2023-06-05","04:14:01","" "1569015","27.9083","0.0018","13.6251","0.0002","15.5343","0.001","90","","149.942","0.018","90","","2958.7","1.6","100","0.1","100","0.1","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C68 H84 N4 Tb2 -","- C68 H84 N4 Tb2 -","- C136 H168 N8 Tb4 -","2","0.25","","Benner, Florian; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Demir, Selvan","Magnetic hysteresis and large coercivity in bisbenzimidazole radical-bridged dilanthanide complexes.","Chemical science","2023","14","21","5577","5592","10.1039/d3sc01562a","","x-ray","1.54184","CuKα","","0.0258","0.0251","","","0.0617","0.062","","","","","","1.1","","","","has coordinates,has disorder","284247","2023-06-05","04:14:01","" "1569016","13.0078","0.0001","18.0377","0.0002","18.9498","0.0002","81.515","0.001","81.572","0.001","74.853","0.001","4217.51","0.08","100","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C84 H128 Gd2 K N6 O9 -","- C84 H128 Gd2 K N6 O9 -","- C168 H256 Gd4 K2 N12 O18 -","2","1","","Benner, Florian; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Demir, Selvan","Magnetic hysteresis and large coercivity in bisbenzimidazole radical-bridged dilanthanide complexes.","Chemical science","2023","14","21","5577","5592","10.1039/d3sc01562a","","","0.71073","MoKα","","0.0483","0.0402","","","0.1003","0.1047","","","","","","1.063","","","","has coordinates,has disorder","284247","2023-06-05","04:14:01","" "1569017","12.9981","0.0001","18.0236","0.0002","18.9237","0.0002","81.646","0.001","81.526","0.001","74.92","0.001","4207.27","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C84 H127 K N6 O9 Tb2 -","- C84 H127 K N6 O9 Tb2 -","- C168 H254 K2 N12 O18 Tb4 -","2","1","","Benner, Florian; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Demir, Selvan","Magnetic hysteresis and large coercivity in bisbenzimidazole radical-bridged dilanthanide complexes.","Chemical science","2023","14","21","5577","5592","10.1039/d3sc01562a","","x-ray","0.71073","MoKα","","0.0698","0.0575","","","0.1417","0.1584","","","","","","1.117","","","","has coordinates,has disorder","284247","2023-06-05","04:14:01","" "1569018","16.0358","0.0004","6.2586","0.0002","36.1603","0.0012","90","","92.17","0.002","90","","3626.51","0.19","173","0.1","173","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C84 H110 N6 O4 -","- C84 H110 N6 O4 -","- C168 H220 N12 O8 -","2","1","","Zhang, Shuqing; Hao, Aiyou; Xing, Pengyao","Solvent-resolved self-assemblies of cholesteryl-cyanostilbene conjugates with photo- and thermo-responsiveness.","Nanoscale","2023","15","21","9567","9576","10.1039/d3nr01056b","","x-ray","1.54184","CuKα","","0.1603","0.1032","","","0.2496","0.3157","","","","","","0.985","","","","has coordinates","284288","2023-06-05","04:39:54","" "1569019","14.8421","0.0004","6.7381","0.0002","12.6407","0.0006","90","","120.534","0.002","90","","1088.86","0.07","305","","305","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H8 Br2 N2 O6 -","- C5 H8 Br2 N2 O6 -","- C20 H32 Br8 N8 O24 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.0469","0.0408","","","0.0952","0.098","","","","","","1.132","","","","has coordinates","284900","2023-07-05","09:45:23","" "1569020","6.737","0.0004","12.6197","0.0007","27.5521","0.0014","90","","90","","90","","2342.4","0.2","305","","305","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 I2 N6 O18 -","- C10 H15 I2 N6 O18 -","- C40 H60 I8 N24 O72 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.084","0.0503","","","0.112","0.13","","","","","","0.976","","","","has coordinates","284900","2023-07-05","09:45:27","" "1569021","12.074","0.004","6.959","0.003","22.562","0.009","90","","90.017","0.013","90","","1895.7","1.3","250","","250","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H16 Cl6 N2 O6 -","- C10 H16 Cl6 N2 O6 -","- C40 H64 Cl24 N8 O24 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","0.71073","MoKα","","0.0361","0.0296","","","0.0613","0.0645","","","","","","1.057","","","","has coordinates","284900","2023-07-05","09:45:27","" "1569022","7.0321","0.0003","11.3862","0.0005","7.2912","0.0003","90","","118.747","0.002","90","","511.85","0.04","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H8 Br3 N O3 -","- C5 H8 Br3 N O3 -","- C10 H16 Br6 N2 O6 -","2","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","0.71073","MoKα","","0.0881","0.0355","","","0.0577","0.0672","","","","","","1.013","","","","has coordinates","284900","2023-07-05","09:45:39","" "1569023","12.5956","0.0011","6.6449","0.0006","27.335","0.002","90","","102.653","0.005","90","","2232.3","0.3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Cl2 N6 O18 -","- C10 H16 Cl2 N6 O18 -","- C40 H64 Cl8 N24 O72 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.086","0.0809","","","0.2314","0.2351","","","","","","1.094","","","","has coordinates","284900","2023-07-05","09:45:43","" "1569024","7.5161","0.0002","11.0417","0.0003","14.1414","0.0003","90","","92.476","0.002","90","","1172.51","0.05","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 N3 O9 -","- C6 H11 N3 O9 -","- C24 H44 N12 O36 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.0621","0.0463","","","0.1152","0.1297","","","","","","1.026","","","","has coordinates","284900","2023-07-05","09:45:47","" "1569025","6.6728","0.0009","12.5692","0.0019","27.033","0.004","90","","90","","90","","2267.3","0.6","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 Br2 N6 O18 -","- C10 H16 Br2 N6 O18 -","- C40 H64 Br8 N24 O72 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.0486","0.0336","","","0.0785","0.0854","","","","","","1.036","","","","has coordinates","284900","2023-07-05","09:45:58","" "1569026","13.1616","0.0008","13.0126","0.0008","6.7544","0.0004","90","","98.802","0.005","90","","1143.18","0.12","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 I2 N2 O6 -","- C5 H8 I2 N2 O6 -","- C20 H32 I8 N8 O24 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","x-ray","0.71073","MoKα","","0.0425","0.0288","","","0.0609","0.0706","","","","","","1.054","","","","has coordinates","284900","2023-07-05","09:45:58","" "1569027","14.7924","0.0015","6.6138","0.0006","12.57","0.002","90","","121.68","0.004","90","","1046.5","0.2","296","","296","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H8 Cl2 N2 O6 -","- C5 H8 Cl2 N2 O6 -","- C20 H32 Cl8 N8 O24 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.0279","0.0258","","","0.0618","0.0632","","","","","","1.065","","","","has coordinates","284900","2023-07-05","09:45:58","" "1569028","6.9671","0.0002","12.3623","0.0005","26.6682","0.0012","90","","90","","90","","2296.92","0.15","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H8 I3 N O3 -","- C5 H8 I3 N O3 -","- C40 H64 I24 N8 O24 -","8","2","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","0.71073","MoKα","","0.0585","0.0376","","","0.0828","0.0931","","","","","","1.027","","","","has coordinates","284900","2023-07-05","09:45:58","" "1569029","18.046","0.0017","9.8055","0.001","24.994","0.003","90","","110.269","0.004","90","","4148.8","0.8","150","2","150","2","","","","","","","","5","P 1 m 1","P -2y","6","","","","- C112 H67 N24 O32 Zn10 -","- C111.5 H67 N24 O30 Zn10 -","- C111.5 H67 N24 O30 Zn10 -","1","0.5","","Yuan, Amelia T.; Stillman, Martin J.","Arsenic binding to human metallothionein-3.","Chemical science","2023","14","21","5756","5767","10.1039/d3sc00400g","","","1.34139","GaKα","","0.0618","0.0587","","","0.1826","0.1847","","","","","","1.083","","","","has coordinates,has disorder","284240","2023-06-05","04:10:09","" "1569030","20.0701","0.0004","6.4604","0.0001","22.2814","0.0005","90","","107.245","0.002","90","","2759.15","0.1","120","","120","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C7 H4 Gd K4 N7 O6 S7 -","- C7 H4 Gd K4 N7 O6 S7 -","- C28 H16 Gd4 K16 N28 O24 S28 -","4","0.5","","Wan, Qingyun; Arczyński, Mirosław; Wakizaka, Masanori; Gupta, Shraddha; Funakoshi, Nobuto; Yamashita, Masahiro","Single-Ion Magnetism in a Three-Dimensional Thiocyanate-Bridged Dysprosium(III) Framework","Chemistry","2023","5","2","987","995","10.3390/chemistry5020067","","x-ray","0.71073","MoKα","","0.0187","0.0162","","","0.0429","0.0439","","","","","","1.122","","","","has coordinates","283515","2023-05-05","10:40:31","" "1569031","20.0808","0.0004","6.4405","0.0001","22.2609","0.0004","90","","107.379","0.002","90","","2747.58","0.09","120","","120","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C7 H4 Dy K4 N7 O6 S7 -","- C7 H4 Dy K4 N7 O6 S7 -","- C28 H16 Dy4 K16 N28 O24 S28 -","4","0.5","","Wan, Qingyun; Arczyński, Mirosław; Wakizaka, Masanori; Gupta, Shraddha; Funakoshi, Nobuto; Yamashita, Masahiro","Single-Ion Magnetism in a Three-Dimensional Thiocyanate-Bridged Dysprosium(III) Framework","Chemistry","2023","5","2","987","995","10.3390/chemistry5020067","","x-ray","0.71073","MoKα","","0.0241","0.0187","","","0.041","0.0487","","","","","","1.16","","","","has coordinates","283516","2023-05-05","10:41:03","" "1569032","20.0705","0.0005","6.4492","0.0001","22.255","0.0005","90","","107.304","0.003","90","","2750.28","0.11","120","","120","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C7 H4 K4 N7 O6 S7 Tb -","- C7 H4 K4 N7 O6 S7 Tb -","- C28 H16 K16 N28 O24 S28 Tb4 -","4","0.5","","Wan, Qingyun; Arczyński, Mirosław; Wakizaka, Masanori; Gupta, Shraddha; Funakoshi, Nobuto; Yamashita, Masahiro","Single-Ion Magnetism in a Three-Dimensional Thiocyanate-Bridged Dysprosium(III) Framework","Chemistry","2023","5","2","987","995","10.3390/chemistry5020067","","x-ray","0.71073","MoKα","","0.0313","0.025","","","0.0615","0.0645","","","","","","1.072","","","","has coordinates","283517","2023-05-05","10:41:25","" "1569033","16.1305","0.0005","8.6024","0.0003","7.3426","0.0002","90","","96.425","0.001","90","","1012.47","0.05","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Co O6 -","- C10 H8 Co O6 -","- C40 H32 Co4 O24 -","4","0.5","","Cammiade, Aimée E. L.; Straub, Laura; van Gerven, David; Wickleder, Mathias S.; Ruschewitz, Uwe","Synthesis, Structure, and Spectroscopic Properties of Luminescent Coordination Polymers Based on the 2,5-Dimethoxyterephthalate Linker","Chemistry","2023","5","2","965","977","10.3390/chemistry5020065","","","0.56086","AgKα","","0.0238","0.0225","","","0.0584","0.0589","","","","","","1.118","","","","has coordinates","283518","2023-05-05","10:42:05","" "1569034","8.833","0.003","9.691","0.003","18.674","0.006","98.274","0.007","93.305","0.01","107.308","0.009","1501.7","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 Mg2 N2 O14 -","- C26 H30 Mg2 N2 O14 -","- C52 H60 Mg4 N4 O28 -","2","1","","Cammiade, Aimée E. L.; Straub, Laura; van Gerven, David; Wickleder, Mathias S.; Ruschewitz, Uwe","Synthesis, Structure, and Spectroscopic Properties of Luminescent Coordination Polymers Based on the 2,5-Dimethoxyterephthalate Linker","Chemistry","2023","5","2","965","977","10.3390/chemistry5020065","","x-ray","0.71073","MoKα","","0.1208","0.0744","","","0.1448","0.1659","","","","","","1.032","","","","has coordinates","283519","2023-05-05","10:42:35","" "1569035","7.8725","0.0004","10.9122","0.0006","15.6053","0.0008","103.034","0.002","96.915","0.002","92.46","0.002","1293.15","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,5,3',5'- tetrabromo-[4,4']bipyridine","","- C10 H4 Br4 N2 -","- C10 H4 Br4 N2 -","- C40 H16 Br16 N8 -","4","2","","Sakhapov, Ilyas F.; Zagidullin, Almaz A.; Dobrynin, Alexey B.; Litvinov, Igor A.; Yakhvarov, Dmitry G.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Fedin, Vladimir P.; Adonin, Sergey A.","Crystal Structures of 3,3′,5,5′-Tetrabromo-4,4′-bipyridine and Co(II) Coordination Polymer Based Thereon","Crystals","2023","13","4","704","","10.3390/cryst13040704","","","0.71073","MoKα","","0.0551","0.0417","","","0.1003","0.1069","","","","","","1.038","","","","has coordinates","283520","2023-05-05","11:23:03","" "1569036","18.3716","0.001","11.4111","0.0006","13.2287","0.0012","90","","132.282","0.002","90","","2051.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Br4 Co N4 O8 -","- C12 H12 Br4 Co N4 O8 -","- C48 H48 Br16 Co4 N16 O32 -","4","0.5","","Sakhapov, Ilyas F.; Zagidullin, Almaz A.; Dobrynin, Alexey B.; Litvinov, Igor A.; Yakhvarov, Dmitry G.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Fedin, Vladimir P.; Adonin, Sergey A.","Crystal Structures of 3,3′,5,5′-Tetrabromo-4,4′-bipyridine and Co(II) Coordination Polymer Based Thereon","Crystals","2023","13","4","704","","10.3390/cryst13040704","","","0.71073","MoKα","","0.0433","0.0324","","","0.0758","0.079","","","","","","1.019","","","","has coordinates","283521","2023-05-05","11:23:27","" "1569037","8.0769","0.0006","8.5225","0.0006","12.5476","0.0009","99.941","0.006","96.608","0.006","93.121","0.006","842.66","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H22 Br N S3 -","- C15 H22 Br N S3 -","- C30 H44 Br2 N2 S6 -","2","1","","Caltagirone, Claudia; Aragoni, Maria Carla; Arca, Massimiliano; Blake, Alexander John; Demartin, Francesco; Garau, Alessandra; Podda, Enrico; Pop, Alexandra; Lippolis, Vito; Silvestru, Cristian","Functionalization and Coordination Effects on the Structural Chemistry of Pendant Arm Derivatives of 1,4,7-trithia-10-aza-cyclododecane ([12]aneNS3)","Crystals","2023","13","4","616","","10.3390/cryst13040616","","","0.71073","MoKα","","0.047","0.0352","","","0.0687","0.0753","","","","","","1.047","","","","has coordinates","283522","2023-05-05","11:23:47","" "1569038","8.5163","0.0009","9.5058","0.001","14.5582","0.0015","73.29","0.01","89.59","0.01","85.96","0.01","1125.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H23 Cl3 N2 O3 S3 -","- C16 H23 Cl3 N2 O3 S3 -","- C32 H46 Cl6 N4 O6 S6 -","2","1","","Caltagirone, Claudia; Aragoni, Maria Carla; Arca, Massimiliano; Blake, Alexander John; Demartin, Francesco; Garau, Alessandra; Podda, Enrico; Pop, Alexandra; Lippolis, Vito; Silvestru, Cristian","Functionalization and Coordination Effects on the Structural Chemistry of Pendant Arm Derivatives of 1,4,7-trithia-10-aza-cyclododecane ([12]aneNS3)","Crystals","2023","13","4","616","","10.3390/cryst13040616","","","0.71073","MoKα","","0.0751","0.0489","","","0.1326","0.1428","","","","","","1.069","","","","has coordinates,has disorder","283523","2023-05-05","11:24:16","" "1569039","8.4811","0.0006","9.8093","0.0007","11.8739","0.0009","99.469","0.002","99.016","0.002","93.623","0.002","958.31","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 Cl N2 O S3 -","- C18 H23 Cl N2 O S3 -","- C36 H46 Cl2 N4 O2 S6 -","2","1","","Caltagirone, Claudia; Aragoni, Maria Carla; Arca, Massimiliano; Blake, Alexander John; Demartin, Francesco; Garau, Alessandra; Podda, Enrico; Pop, Alexandra; Lippolis, Vito; Silvestru, Cristian","Functionalization and Coordination Effects on the Structural Chemistry of Pendant Arm Derivatives of 1,4,7-trithia-10-aza-cyclododecane ([12]aneNS3)","Crystals","2023","13","4","616","","10.3390/cryst13040616","","","0.71073","MoKα","","0.0338","0.0295","","","0.0775","0.0793","","","","","","1.066","","","","has coordinates","283524","2023-05-05","11:24:38","" "1569040","28.7667","0.001","31.0967","0.0011","22.7773","0.0008","90","","90","","90","","20375.4","1.2","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C23 H21 I2 N3 O5 Zn -","- C23 H21 I2 N3 O5 Zn -","- C736 H672 I64 N96 O160 Zn32 -","32","2","","Zaguzin, Alexander S.; Sukhikh, Taisiya; Sokolov, Maxim N.; Fedin, Vladimir P.; Adonin, Sergey A.","Zn(II) Three-Dimensional Metal-Organic Frameworks Based on 2,5-Diiodoterephthalate and N,N Linkers: Structures and Features of Sorption Behavior","Inorganics","2023","11","5","192","","10.3390/inorganics11050192","","","0.71073","MoKα","","0.0862","0.0615","","","0.1406","0.1565","","","","","","1.031","","","","has coordinates,has disorder","283525","2023-05-05","15:42:39","" "1569041","28.6666","0.0011","31.2803","0.0015","22.6871","0.0011","90","","90","","90","","20343.5","1.6","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C23 H19 I2 N3 O5 Zn -","- C23 H19 I2 N3 O5 Zn -","- C736 H608 I64 N96 O160 Zn32 -","32","2","","Zaguzin, Alexander S.; Sukhikh, Taisiya; Sokolov, Maxim N.; Fedin, Vladimir P.; Adonin, Sergey A.","Zn(II) Three-Dimensional Metal-Organic Frameworks Based on 2,5-Diiodoterephthalate and N,N Linkers: Structures and Features of Sorption Behavior","Inorganics","2023","11","5","192","","10.3390/inorganics11050192","","","0.71073","MoKα","","0.0543","0.0449","","","0.0951","0.0999","","","","","","1.048","","","","has coordinates,has disorder","283526","2023-05-05","15:43:25","" "1569042","12.8452","0.0005","22.8123","0.0008","13.0509","0.0005","90","","115.75","0.002","90","","3444.5","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H14.5 Ag3 F18 N7 O1.25 -","- C29 H14.5 Ag3 F18 N7 O1.25 -","- C116 H58 Ag12 F72 N28 O5 -","4","1","","Olbrykh, Arina; Titov, Aleksei; Smol’yakov, Alexander; Filippov, Oleg; Shubina, Elena S.","Exploring the Interaction of Pyridine-Based Chalcones with Trinuclear Silver(I) Pyrazolate Complex","Inorganics","2023","11","4","175","","10.3390/inorganics11040175","","","0.71073","MoKα","","0.0512","0.0388","","","0.0888","0.0956","","","","","","1.032","","","","has coordinates,has disorder","283527","2023-05-05","15:43:53","" "1569043","13.1222","0.0008","14.3897","0.001","20.6671","0.0014","90","","91.486","0.003","90","","3901.1","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H18 Ag3 F18 N7 O -","- C37 H18 Ag3 F18 N7 O -","- C148 H72 Ag12 F72 N28 O4 -","4","1","","Olbrykh, Arina; Titov, Aleksei; Smol’yakov, Alexander; Filippov, Oleg; Shubina, Elena S.","Exploring the Interaction of Pyridine-Based Chalcones with Trinuclear Silver(I) Pyrazolate Complex","Inorganics","2023","11","4","175","","10.3390/inorganics11040175","","","0.71073","MoKα","","0.0462","0.0424","","","0.0955","0.0978","","","","","","1.151","","","","has coordinates,has disorder","283528","2023-05-05","15:44:26","" "1569044","7.8326","0.0002","11.0556","0.0002","12.8446","0.0003","114.754","0.001","102.718","0.001","94.914","0.001","965.22","0.04","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C37 H18 Ag3 F18 N7 O -","- C37 H18 Ag3 F18 N7 O -","- C37 H18 Ag3 F18 N7 O -","1","1","","Olbrykh, Arina; Titov, Aleksei; Smol’yakov, Alexander; Filippov, Oleg; Shubina, Elena S.","Exploring the Interaction of Pyridine-Based Chalcones with Trinuclear Silver(I) Pyrazolate Complex","Inorganics","2023","11","4","175","","10.3390/inorganics11040175","","","0.71073","MoKα","","0.0155","0.0153","","","0.0367","0.0368","","","","","","1.037","","","","has coordinates","283529","2023-05-05","15:44:41","" "1569045","6.111","0.004","5.467","0.003","5.114","0.002","90","","114.68","0.07","90","","155.25","0.17","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C2 Cu O4 -","- C2 Cu O4 -","- C4 Cu2 O8 -","2","0.5","","Kornyakov, Ilya V.; Gurzhiy, Vladislav V.; Kuz'mina, Mariya A.; Krzhizhanovskaya, Maria G.; Chukanov, Nikita V.; Chislov, Mikhail V.; Korneev, Anatolii V.; Izatulina, Alina R.","Crystal Chemistry of the Copper Oxalate Biomineral Moolooite: The First Single-Crystal X-ray Diffraction Studies and Thermal Behavior.","International journal of molecular sciences","2023","24","7","6786","","10.3390/ijms24076786","","","0.71073","MoKα","","0.1757","0.1325","","","0.369","0.3923","","","","","","1.229","","","","has coordinates","283530","2023-05-05","19:59:28","" "1569046","5.601","0.002","5.415","0.003","2.5553","0.0008","90","","90","","90","","77.5","0.06","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- C2 Cu O4 -","- C2 Cu O4 -","- C2 Cu O4 -","1","0.125","","Kornyakov, Ilya V.; Gurzhiy, Vladislav V.; Kuz'mina, Mariya A.; Krzhizhanovskaya, Maria G.; Chukanov, Nikita V.; Chislov, Mikhail V.; Korneev, Anatolii V.; Izatulina, Alina R.","Crystal Chemistry of the Copper Oxalate Biomineral Moolooite: The First Single-Crystal X-ray Diffraction Studies and Thermal Behavior.","International journal of molecular sciences","2023","24","7","6786","","10.3390/ijms24076786","","x-ray","0.71073","MoKα","","0.0905","0.0726","","","0.1854","0.2027","","","","","","1.135","","","","has coordinates,has disorder","283531","2023-05-05","19:59:45","" "1569047","5.607","0.002","5.428","0.002","2.5579","0.0007","90","","90","","90","","77.85","0.05","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- C2 Cu O4 -","- C2 Cu O4 -","- C2 Cu O4 -","1","0.125","","Kornyakov, Ilya V.; Gurzhiy, Vladislav V.; Kuz'mina, Mariya A.; Krzhizhanovskaya, Maria G.; Chukanov, Nikita V.; Chislov, Mikhail V.; Korneev, Anatolii V.; Izatulina, Alina R.","Crystal Chemistry of the Copper Oxalate Biomineral Moolooite: The First Single-Crystal X-ray Diffraction Studies and Thermal Behavior.","International journal of molecular sciences","2023","24","7","6786","","10.3390/ijms24076786","","x-ray","0.71073","MoKα","","0.0994","0.081","","","0.2135","0.258","","","","","","1.207","","","","has coordinates","283532","2023-05-05","19:59:58","" "1569048","6.147","0.003","5.433","0.002","5.1173","0.0018","90","","114.51","0.05","90","","155.5","0.13","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C2 Cu O4 -","- C2 Cu O4 -","- C4 Cu2 O8 -","2","0.5","","Kornyakov, Ilya V.; Gurzhiy, Vladislav V.; Kuz'mina, Mariya A.; Krzhizhanovskaya, Maria G.; Chukanov, Nikita V.; Chislov, Mikhail V.; Korneev, Anatolii V.; Izatulina, Alina R.","Crystal Chemistry of the Copper Oxalate Biomineral Moolooite: The First Single-Crystal X-ray Diffraction Studies and Thermal Behavior.","International journal of molecular sciences","2023","24","7","6786","","10.3390/ijms24076786","","x-ray","0.71073","MoKα","","0.1334","0.0958","","","0.2519","0.2706","","","","","","1.27","","","","has coordinates","283533","2023-05-05","20:00:14","" "1569049","10.1108","0.0001","34.6407","0.0002","11.5453","0.0001","90","","112.005","0.001","90","","3749.11","0.06","173.01","0.1","173.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H63 B N3 Na O Si3 -","- C28 H63 B N3 Na O Si3 -","- C112 H252 B4 N12 Na4 O4 Si12 -","4","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH2SiMe3)3: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","x-ray","1.54184","CuKα","","0.0432","0.036","","","0.0958","0.1027","","","","","","1.061","","","","has coordinates,has disorder","284883","2023-07-05","09:34:57","" "1569050","12.50294","0.0001","16.73895","0.00015","15.65536","0.00013","90","","98.9971","0.0008","90","","3236.14","0.05","173","0.1","173","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H55 B N3 Na Si3 -","- C21 H55 B N3 Na Si3 -","- C84 H220 B4 N12 Na4 Si12 -","4","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH2SiMe3)3: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","x-ray","1.54184","CuKα","","0.0577","0.0511","","","0.1415","0.1492","","","","","","1.069","","","","has coordinates","284883","2023-07-05","09:35:10","" "1569051","11.0817","0.0001","18.6842","0.0002","16.2208","0.0002","90","","93.358","0.001","90","","3352.79","0.06","100.3","0.5","100.3","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H55 B N3 Na Si2 -","- C29 H55 B N3 Na Si2 -","- C116 H220 B4 N12 Na4 Si8 -","4","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH2SiMe3)3: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","x-ray","1.54184","CuKα","","0.0643","0.0549","","","0.1474","0.1574","","","","","","1.071","","","","has coordinates,has disorder","284883","2023-07-05","09:35:13","" "1569052","10.09239","0.00018","17.0772","0.0003","18.2578","0.0003","90","","95.549","0.0017","90","","3131.98","0.09","173","0.1","173","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H55 B Li N3 Si3 -","- C21 H55 B Li N3 Si3 -","- C84 H220 B4 Li4 N12 Si12 -","4","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH2SiMe3)3: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","x-ray","1.54184","CuKα","","0.0501","0.0479","","","0.1382","0.1436","","","","","","1.126","","","","has coordinates,has disorder","284883","2023-07-05","09:35:14","" "1569053","12.5688","0.0015","17.32","0.002","16.3239","0.001","90","","91.481","0.007","90","","3552.4","0.6","100.35","0.1","100.35","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H61 B N3 Na Si3 -","- C27 H61 B N3 Na Si3 -","- C108 H244 B4 N12 Na4 Si12 -","4","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH2SiMe3)3: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","x-ray","1.54184","CuKα","","0.0875","0.0727","","","0.1906","0.2101","","","","","","1.062","","","","has coordinates,has disorder","284883","2023-07-05","09:35:14","" "1569054","11.6411","0.0001","18.6662","0.0001","33.6871","0.0002","90","","90","","90","","7320.04","0.09","99.99","0.1","100.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H59 B N3 Na O2 Si2 -","- C30.673 H58.346 B N3 Na O1.673 Si2 -","- C245.384 H466.768 B8 N24 Na8 O13.384 Si16 -","8","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH2SiMe3)3: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","","1.54184","CuKα","","0.0469","0.0459","","","0.1074","0.108","","","","","","1.136","","","","has coordinates,has disorder","284883","2023-07-05","09:35:14","" "1569055","6.9978","0.0001","14.4109","0.0003","12.2598","0.0002","90","","91.455","0.002","90","","1235.94","0.04","99.9","0.7","99.9","0.7","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H20 F3 N O5 S2 -","- C26 H20 F3 N O5 S2 -","- C52 H40 F6 N2 O10 S4 -","2","1","","Zhang, Zhi-Xin; Liu, Li-Gao; Liu, Yi-Xi; Lin, Jian; Lu, Xin; Ye, Long-Wu; Zhou, Bo","Organocatalytic intramolecular (4 + 2) annulation of enals with ynamides: atroposelective synthesis of axially chiral 7-aryl indolines.","Chemical science","2023","14","22","5918","5924","10.1039/d3sc01880f","","x-ray","1.54184","CuKα","","0.0493","0.0478","","","0.1294","0.1351","","","","","","1.097","","","","has coordinates","284893","2023-07-05","09:42:10","" "1569056","13.7393","0.0004","13.7546","0.0005","14.7849","0.0006","112.76","0.004","91.008","0.003","93.713","0.003","2568.3","0.18","140","0.11","140","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C48 H69 Cl3 O6 Si3 -","- C48 H69 Cl3 O6 Si3 -","- C96 H138 Cl6 O12 Si6 -","2","1","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.0477","0.0362","","","0.0908","0.0979","","","","","","1.026","","","","has coordinates","284891","2023-07-05","09:41:25","" "1569057","25.2554","0.0011","11.0935","0.0006","25.7721","0.0014","90","","105.25","0.005","90","","6966.3","0.6","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H99 Ce K2 O12 Si3 -","- C60 H99 Ce K2 O12 Si3 -","- C240 H396 Ce4 K8 O48 Si12 -","4","1","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.1349","0.0762","","","0.1703","0.2","","","","","","1.017","","","","has coordinates,has disorder","284891","2023-07-05","09:41:28","" "1569058","13.2982","0.0005","13.6413","0.0004","17.7827","0.0006","86.91","0.003","69.976","0.003","85.916","0.003","3021.66","0.19","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H69 Ce Cl O9 Si3 -","- C48 H69 Ce Cl O9 Si3 -","- C96 H138 Ce2 Cl2 O18 Si6 -","2","1","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.073","0.0584","","","0.1513","0.1636","","","","","","1.022","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30","" "1569059","14.0331","0.0003","15.4209","0.0004","16.938","0.0004","109.329","0.002","108.864","0.002","101.873","0.002","3065.72","0.16","139.99","0.1","139.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C59 H85 Ce O10 Si3 -","- C59 H85 Ce O10 Si3 -","- C118 H170 Ce2 O20 Si6 -","2","1","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","0.71073","MoKα","","0.0564","0.0421","","","0.0994","0.1078","","","","","","1.08","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30","" "1569060","13.5317","0.0009","19.775","0.0016","20.4919","0.0012","67.818","0.006","89.464","0.005","89.905","0.006","5077.4","0.6","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C48 H72 O9 Si3 -","- C48 H72 O9 Si3 -","- C192 H288 O36 Si12 -","4","2","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.1621","0.0634","","","0.0994","0.1382","","","","","","0.854","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30","" "1569061","15.5349","0.0004","16.9728","0.0005","21.2514","0.0006","112.666","0.003","95.795","0.002","108.276","0.002","4749.9","0.3","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C132 H210 K8 N4 O30 Si6 -","- C132 H210 K8 N4 O30 Si6 -","- C132 H210 K8 N4 O30 Si6 -","1","0.5","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.0521","0.041","","","0.1096","0.1167","","","","","","1.041","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30","" "1569062","13.54182","0.00009","33.4467","0.0002","20.39623","0.00015","90","","91.1616","0.0006","90","","9236.15","0.11","140","0.1","140","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C134 H210 Ce2 K2 N4 O34 Si6 -","- C134 H210 Ce2 K2 N4 O34 Si6 -","- C268 H420 Ce4 K4 N8 O68 Si12 -","2","0.5","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.0348","0.0315","","","0.0817","0.0839","","","","","","1.043","","","","has coordinates","284891","2023-07-05","09:41:30","" "1569063","29.21058","0.00019","18.42416","0.00015","29.16367","0.00018","90","","98.1608","0.0007","90","","15536.4","0.19","140","0.1","140","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C120 H186 K8 O24 Si6 -","- C120 H186 K8 O24 Si6 -","- C480 H744 K32 O96 Si24 -","4","0.5","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.0331","0.0301","","","0.0817","0.084","","","","","","1.035","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30","" "1569064","20.1856","0.0004","20.8622","0.0004","21.3727","0.0004","90","","105.036","0.002","90","","8692.2","0.3","140","0.1","140","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H133 Ce K N2 O18 Si3 -","- C78 H133 Ce K N2 O18 Si3 -","- C312 H532 Ce4 K4 N8 O72 Si12 -","4","1","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.0805","0.056","","","0.1406","0.1613","","","","","","1.056","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30","" "1569065","13.77347","0.00011","45.4297","0.0004","15.21804","0.00013","90","","93.1526","0.0007","90","","9507.89","0.14","140","0.1","140","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C76 H130 Ce K N2 O17 P Si3 -","- C76 H130 Ce K N2 O17 P Si3 -","- C304 H520 Ce4 K4 N8 O68 P4 Si12 -","4","1","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.0586","0.0554","","","0.1199","0.1213","","","","","","1.148","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30","" "1569066","5.2524984878","","6.3202611905","","13.523442891","","89.662","","100.131","","91.0107","","441.87","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C2 H6 Cu O12 Zn4 -","- C2 H6 Cu O12 Zn4 -","- C4 H12 Cu2 O24 Zn8 -","2","1","","Santamaría-Pérez, David; Chuliá-Jordán, Raquel; Otero-de-la-Roza, Alberto; Oliva, Robert; Popescu, Catalin","High-Pressure Experimental and DFT Structural Studies of Aurichalcite Mineral","Minerals","2023","13","5","619","","10.3390/min13050619","","","","","","","","","","","","","","","","","","","","","has coordinates","283541","2023-05-05","23:50:23","" "1569067","4.5908","0.0006","5.6201","0.0008","39.348","0.005","90","","90","","90","","1015.2","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 Cl O3 -","- C10 H13 Cl O3 -","- C40 H52 Cl4 O12 -","4","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Samigullina, Aida I.; Gubaidullin, Aidar T.","3-(2-Chloro-5-methylphenoxy)propane-1,2-diol","Molbank","2023","2023","2","M1624","","10.3390/M1624","","","0.71073","MoKα","","0.0458","0.037","","","0.065","0.0683","","","","","","1.059","","","","has coordinates","283542","2023-05-06","00:01:00","" "1569068","5.4729","0.0009","8.7652","0.0014","21.37","0.003","90","","96.201","0.011","90","","1019.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Cl O3 -","- C10 H13 Cl O3 -","- C40 H52 Cl4 O12 -","4","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Samigullina, Aida I.; Gubaidullin, Aidar T.","3-(2-Chloro-5-methylphenoxy)propane-1,2-diol","Molbank","2023","2023","2","M1624","","10.3390/M1624","","","0.71073","MoKα","","0.1377","0.0768","","","0.1589","0.1863","","","","","","1.04","","","","has coordinates","283543","2023-05-06","00:01:19","" "1569069","8.2705","0.0003","8.3119","0.0004","8.6304","0.0004","81.434","0.004","78.227","0.004","66.545","0.004","531.3","0.04","294.6","0.5","294.6","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C8 H19 Br N O -","- C8 H19 Br N O -","- C16 H38 Br2 N2 O2 -","2","1","","Mahapatra, Amita; Samantara, Aneeya K.; Barik, Sahadev; Sahoo, Malaya K.; Behera, J. N.; Sarkar, Moloy","Insight into the structure and transport properties of pyrrolidinium-based geminal dicationic-organic ionic crystals: unravelling the role of alkyl-chain length.","Soft matter","2023","19","19","3510","3518","10.1039/d3sm00040k","","x-ray","0.71073","MoKα","","0.0401","0.0358","","","0.0945","0.0966","","","","","","1.06","","","","has coordinates","284347","2023-06-05","05:03:34","" "1569070","15.6157","0.0017","13.7323","0.0016","10.4556","0.001","90","","90","","90","","2242.1","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H29 Br2 N2 -","- C19 H29 Br2 N2 -","- C76 H116 Br8 N8 -","4","0.5","","Mahapatra, Amita; Samantara, Aneeya K.; Barik, Sahadev; Sahoo, Malaya K.; Behera, J. N.; Sarkar, Moloy","Insight into the structure and transport properties of pyrrolidinium-based geminal dicationic-organic ionic crystals: unravelling the role of alkyl-chain length.","Soft matter","2023","19","19","3510","3518","10.1039/d3sm00040k","","x-ray","0.71073","MoKα","","0.1124","0.0723","","","0.2168","0.2478","","","","","","1.05","","","","has coordinates","284347","2023-06-05","05:03:35","" "1569071","8.7747","0.0006","8.8458","0.0006","8.9862","0.0005","94.525","0.005","105.831","0.005","117.457","0.007","578.09","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H21 Br N O -","- C9 H21 Br N O -","- C18 H42 Br2 N2 O2 -","2","1","","Mahapatra, Amita; Samantara, Aneeya K.; Barik, Sahadev; Sahoo, Malaya K.; Behera, J. N.; Sarkar, Moloy","Insight into the structure and transport properties of pyrrolidinium-based geminal dicationic-organic ionic crystals: unravelling the role of alkyl-chain length.","Soft matter","2023","19","19","3510","3518","10.1039/d3sm00040k","","x-ray","0.71073","MoKα","","0.0766","0.0525","","","0.1367","0.1491","","","","","","1.029","","","","has coordinates","284347","2023-06-05","05:03:35","" "1569072","13.631","0.0005","14.463","0.0006","15.8288","0.0006","112.847","0.001","92.606","0.001","109.383","0.001","2657.65","0.18","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C55 H65 Cu F6 N5 O4 P -","- C55 H65 Cu F6 N5 O4 P -","- C110 H130 Cu2 F12 N10 O8 P2 -","2","1","","Kaluarachchige Don, Umesh I.; Almaat, Ahmad S.; Ward, Cassandra L.; Groysman, Stanislav","Studies Relevant to the Functional Model of Mo-Cu CODH: In Situ Reactions of Cu(I)-L Complexes with Mo(VI) and Synthesis of Stable Structurally Characterized Heterotetranuclear MoVI2CuI2 Complex.","Molecules (Basel, Switzerland)","2023","28","8","3644","","10.3390/molecules28083644","","","0.71073","MoKα","","0.0428","0.0372","","","0.0969","0.1011","","","","","","1.04","","","","has coordinates","283546","2023-05-06","01:32:59","" "1569073","20.546","0.005","21.591","0.007","25.679","0.007","90","","109.253","0.006","90","","10754","5","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C114 H122 Cu2 Mo2 N14 O12 Si -","- C114 H122 Cu2 Mo2 N14 O12 Si -","- C456 H488 Cu8 Mo8 N56 O48 Si4 -","4","1","","Kaluarachchige Don, Umesh I.; Almaat, Ahmad S.; Ward, Cassandra L.; Groysman, Stanislav","Studies Relevant to the Functional Model of Mo-Cu CODH: In Situ Reactions of Cu(I)-L Complexes with Mo(VI) and Synthesis of Stable Structurally Characterized Heterotetranuclear MoVI2CuI2 Complex.","Molecules (Basel, Switzerland)","2023","28","8","3644","","10.3390/molecules28083644","","","0.71073","MoKα","","0.0996","0.0682","","","0.176","0.1977","","","","","","1.022","","","","has coordinates,has disorder","283547","2023-05-06","01:33:42","" "1569074","7.4636","0.0005","8.4407","0.0003","25.5378","0.0012","97.847","0.003","93.939","0.006","95.084","0.004","1582.17","0.14","","","297","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","2","","Budziak-Wieczorek, Iwona; Kamiński, Daniel; Skrzypek, Alicja; Ciołek, Anna; Skrzypek, Tomasz; Janik-Zabrotowicz, Ewa; Arczewska, Marta","Naturally Occurring Chalcones with Aggregation-Induced Emission Enhancement Characteristics.","Molecules (Basel, Switzerland)","2023","28","8","3412","","10.3390/molecules28083412","","x-ray","1.54184","CuKα","","0.0953","0.0788","","","0.2327","0.2634","","","","","","1.0364","","","","has coordinates","283548","2023-05-06","01:34:21","" "1569075","25.7114","0.0006","15.3506","0.0003","6.8717","0.0002","90","","97.058","0.003","90","","2691.61","0.11","","","293","","","","1025","","","","Sigma aldrich","3","P 1 21/c 1","-P 2ybc","14","cardamonin","(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one","","- C16 H14 O4 -","- C16 H14 O4 -","- C128 H112 O32 -","8","2","","Budziak-Wieczorek, Iwona; Kamiński, Daniel; Skrzypek, Alicja; Ciołek, Anna; Skrzypek, Tomasz; Janik-Zabrotowicz, Ewa; Arczewska, Marta","Naturally Occurring Chalcones with Aggregation-Induced Emission Enhancement Characteristics.","Molecules (Basel, Switzerland)","2023","28","8","3412","","10.3390/molecules28083412","","x-ray","1.54184","CuKα","","0.0839","0.0678","","","0.2274","0.2409","","","","","","1.0594","","","","has coordinates","283549","2023-05-06","01:35:03","" "1569076","19.354","0.004","15.2873","0.0018","7.2681","0.0011","90","","97.215","0.018","90","","2133.4","0.6","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Isobavachalcone","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","","Budziak-Wieczorek, Iwona; Kamiński, Daniel; Skrzypek, Alicja; Ciołek, Anna; Skrzypek, Tomasz; Janik-Zabrotowicz, Ewa; Arczewska, Marta","Naturally Occurring Chalcones with Aggregation-Induced Emission Enhancement Characteristics.","Molecules (Basel, Switzerland)","2023","28","8","3412","","10.3390/molecules28083412","","x-ray","1.54184","CuKα","","0.3082","0.2758","","","0.5307","0.5557","","","","","","1.918","","","","has coordinates","283550","2023-05-06","01:35:33","" "1569077","9.9962","0.0002","10.9047","0.0002","11.7215","0.0002","90","","96.101","0.002","90","","1270.47","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H14 B5 N3 O11 -","- C2 H14 B5 N3 O11 -","- C8 H56 B20 N12 O44 -","4","1","","Beckett, Michael A.; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Structural (XRD) Characterization and an Analysis of H-Bonding Motifs in Some Tetrahydroxidohexaoxidopentaborate(1-) Salts of N-Substituted Guanidinium Cations.","Molecules (Basel, Switzerland)","2023","28","7","3273","","10.3390/molecules28073273","","x-ray","0.71075","MoKα","K-L~3~","0.0275","0.0267","","","0.0737","0.0743","","","","","","1.071","","","","has coordinates","283551","2023-05-06","01:36:13","" "1569078","9.3096","0.0006","9.3175","0.0003","9.3733","0.0006","76.598","0.005","85.611","0.005","79.947","0.004","778.22","0.08","99.9","0.7","99.9","0.7","","","","","","","","5","P -1","-P 1","2","","","","- C7 H18 B5 N3 O10 -","- C7 H18 B5 N3 O10 -","- C14 H36 B10 N6 O20 -","2","1","","Beckett, Michael A.; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Structural (XRD) Characterization and an Analysis of H-Bonding Motifs in Some Tetrahydroxidohexaoxidopentaborate(1-) Salts of N-Substituted Guanidinium Cations.","Molecules (Basel, Switzerland)","2023","28","7","3273","","10.3390/molecules28073273","","x-ray","1.54178","CuKα","","0.0616","0.0561","","","0.1677","0.1747","","","","","","1.076","","","","has coordinates,has disorder","283552","2023-05-06","01:36:39","" "1569079","9.4957","0.0001","11.449","0.0001","16.8459","0.0001","90","","98.071","0.001","90","","1813.28","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H23 B6 N3 O13 -","- C6 H23 B6 N3 O13 -","- C24 H92 B24 N12 O52 -","4","1","","Beckett, Michael A.; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Structural (XRD) Characterization and an Analysis of H-Bonding Motifs in Some Tetrahydroxidohexaoxidopentaborate(1-) Salts of N-Substituted Guanidinium Cations.","Molecules (Basel, Switzerland)","2023","28","7","3273","","10.3390/molecules28073273","","x-ray","1.54178","CuKα","","0.0268","0.0263","","","0.067","0.0674","","","","","","1.004","","","","has coordinates","283553","2023-05-06","01:37:15","" "1569080","7.487","0.0002","8.5076","0.0002","9.6502","0.0002","93.906","0.002","98.47","0.002","96.457","0.002","601.88","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C H11 B5 N4 O10 -","- C H11 B5 N4 O10 -","- C2 H22 B10 N8 O20 -","2","1","","Beckett, Michael A.; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Structural (XRD) Characterization and an Analysis of H-Bonding Motifs in Some Tetrahydroxidohexaoxidopentaborate(1-) Salts of N-Substituted Guanidinium Cations.","Molecules (Basel, Switzerland)","2023","28","7","3273","","10.3390/molecules28073273","","x-ray","1.54178","CuKα","","0.0302","0.0294","","","0.0818","0.0827","","","","","","1.04","","","","has coordinates","283554","2023-05-06","01:37:46","" "1569081","9.5035","0.0003","9.5151","0.0003","10.4386","0.0003","65.381","0.001","69.049","0.002","88.603","0.002","792.72","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H18 B5 N3 O10 -","- C5 H18 B5 N3 O10 -","- C10 H36 B10 N6 O20 -","2","1","","Beckett, Michael A.; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Structural (XRD) Characterization and an Analysis of H-Bonding Motifs in Some Tetrahydroxidohexaoxidopentaborate(1-) Salts of N-Substituted Guanidinium Cations.","Molecules (Basel, Switzerland)","2023","28","7","3273","","10.3390/molecules28073273","","","0.71073","MoKα","","0.0493","0.0373","","","0.0873","0.0935","","","","","","1.057","","","","has coordinates","283555","2023-05-06","01:38:15","" "1569082","9.9747","0.0002","11.2563","0.0003","11.6174","0.0003","90","","96.084","0.002","90","","1297.03","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H14 B5 N3 O10 -","- C3 H14 B5 N3 O10 -","- C12 H56 B20 N12 O40 -","4","1","","Beckett, Michael A.; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Structural (XRD) Characterization and an Analysis of H-Bonding Motifs in Some Tetrahydroxidohexaoxidopentaborate(1-) Salts of N-Substituted Guanidinium Cations.","Molecules (Basel, Switzerland)","2023","28","7","3273","","10.3390/molecules28073273","","x-ray","0.71075","MoKα","","0.0306","0.028","","","0.0794","0.0811","","","","","","1.035","","","","has coordinates","283556","2023-05-06","01:38:50","" "1569083","8.7226","0.0002","12.4479","0.0003","14.1827","0.0004","90","","107.294","0.001","90","","1470.31","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Fe2 N2 O2 -","- C16 H16 Fe2 N2 O2 -","- C64 H64 Fe8 N8 O8 -","4","1","","Bresciani, Giulio; Zacchini, Stefano; Pampaloni, Guido; Bortoluzzi, Marco; Marchetti, Fabio","Diiron Aminocarbyne Complexes with NCE- Ligands (E = O, S, Se).","Molecules (Basel, Switzerland)","2023","28","7","3251","","10.3390/molecules28073251","","","0.71073","MoKα","","0.0353","0.0283","","","0.0632","0.0677","","","","","","1.074","","","","has coordinates","283557","2023-05-06","01:39:16","" "1569084","19.1245","0.0015","24.418","0.0018","15.6004","0.0011","90","","109.5","0.005","90","","6867.2","0.9","100","2","100","2","","","","","","","as described","3","C 1 2 1","C 2y","5","","","","- C51 H82 O46.5 -","- C51 H82 O46.5 -","- C204 H328 O186 -","4","1","","Mazurek, Anna Helena; Szeleszczuk, Łukasz; Bethanis, Kostas; Christoforides, Elias; Dudek, Marta Katarzyna; Zielińska-Pisklak, Monika; Pisklak, Dariusz Maciej","17-β-Estradiol—β-Cyclodextrin Complex as Solid: Synthesis, Structural and Physicochemical Characterization","Molecules","2023","28","9","3747","","10.3390/molecules28093747","","x-ray","1.54178","CuKα","","0.104","0.0952","","","0.2591","0.2688","","","","","","1.038","","","","has coordinates,has disorder","283558","2023-05-06","01:39:58","" "1569085","24.891","0.002","7.3061","0.0007","11.7772","0.0011","90","","90","","90","","2141.8","0.3","296.15","","296.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","ndi-cd-water","","- C40 H30 Cd N4 O19 -","- C40 H30 Cd N4 O19 -","- C80 H60 Cd2 N8 O38 -","2","0.5","","Hussain, Wajid; Khan, Maroof Ahmad; Li, Zhongkui; Iqbal, Muhammad Javed; Ilyas, Mubashar; Li, Hui","The Electronic Properties of Cadmium Naphthalene Diimide Coordination Complex","Molecules","2023","28","9","3709","","10.3390/molecules28093709","","","0.71073","MoKα","","0.0326","0.0305","","","0.0803","0.0822","","","","","","1.027","","","","has coordinates,has disorder","283559","2023-05-06","01:40:49","" "1569086","5.7044","0.0004","9.9485","0.0007","11.7687","0.0007","90","","90.321","0.002","90","","667.87","0.08","300","2","300.15","","","","","","","","","4","P 1 n 1","P -2yac","7","N-Methylserotonin hydrogen oxalate","[2-(5-Hydroxy-1H-indol-3-yl)ethyl](methyl)azanium hydrogen oxalate","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C26 H32 N4 O10 -","2","1","BX4024","Naeem, Marilyn; Anas, Nicholas A.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","N-Methylserotonin hydrogen oxalate","IUCrData","2023","8","5","","","10.1107/S2414314623003784","","","0.71073","MoKα","","0.0303","0.0295","","","0.0764","0.0769","","","","","","1.096","","","","has coordinates","283560","2023-05-06","01:49:26","" "1569087","10.2051","0.0016","6.3872","0.0009","12.4369","0.0018","90","","102.597","0.012","90","","791.1","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B4 Ba Bi1.673 Eu0.327 O10 -","- B4 Ba Bi1.666 Eu0.334 O10 -","- B16 Ba4 Bi6.664 Eu1.336 O40 -","4","1","","Shablinskii, Andrey P.; Povolotskiy, Alexey V.; Yuriev, Artem A.; Biryukov, Yaroslav P.; Bubnova, Rimma S.; Avdontceva, Margarita S.; Janson, Svetlana Yu.; Filatov, Stanislav K.","Novel Red-Emitting BaBi2B4O10:Eu3+ Phosphors: Synthesis, Crystal Structure and Luminescence","Symmetry","2023","15","4","918","","10.3390/sym15040918","","x-ray","0.71073","MoKα","","0.0659","0.0342","","","0.0318","0.0351","","","","1.25","1.25","1.12","","","","has coordinates","283561","2023-05-06","07:06:06","" "1569088","10.1862","0.0016","6.3819","0.0009","12.4466","0.0018","90","","102.701","0.012","90","","789.3","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B4 Ba Bi1.942 Eu0.058 O10 -","- B4 Ba Bi1.94 Eu0.06 O10 -","- B16 Ba4 Bi7.76 Eu0.24 O40 -","4","1","","Shablinskii, Andrey P.; Povolotskiy, Alexey V.; Yuriev, Artem A.; Biryukov, Yaroslav P.; Bubnova, Rimma S.; Avdontceva, Margarita S.; Janson, Svetlana Yu.; Filatov, Stanislav K.","Novel Red-Emitting BaBi2B4O10:Eu3+ Phosphors: Synthesis, Crystal Structure and Luminescence","Symmetry","2023","15","4","918","","10.3390/sym15040918","","x-ray","0.71073","MoKα","","0.0551","0.0317","","","0.0305","0.0329","","","","1.25","1.25","1.13","","","","has coordinates","283562","2023-05-06","07:06:43","" "1569089","10.236","0.0016","6.3962","0.0009","12.3912","0.0018","90","","102.424","0.012","90","","792.3","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B4 Ba Bi1.574 Eu0.426 O10 -","- B4 Ba Bi1.574 Eu0.426 O10 -","- B16 Ba4 Bi6.296 Eu1.704 O40 -","4","1","","Shablinskii, Andrey P.; Povolotskiy, Alexey V.; Yuriev, Artem A.; Biryukov, Yaroslav P.; Bubnova, Rimma S.; Avdontceva, Margarita S.; Janson, Svetlana Yu.; Filatov, Stanislav K.","Novel Red-Emitting BaBi2B4O10:Eu3+ Phosphors: Synthesis, Crystal Structure and Luminescence","Symmetry","2023","15","4","918","","10.3390/sym15040918","","x-ray","0.71073","MoKα","","0.0414","0.0269","","","0.0281","0.0299","","","","1.32","1.32","1.22","","","","has coordinates","283563","2023-05-06","07:07:10","" "1569090","9.3901","0.0008","15.1733","0.0008","16.2514","0.0007","73.186","0.004","77.982","0.005","87.462","0.005","2167.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Br N O3 S -","- C24 H20 Br N O3 S -","- C96 H80 Br4 N4 O12 S4 -","4","2","","Kurpik, Gracjan; Walczak, Anna; Markiewicz, Grzegorz; Harrowfield, Jack; Stefankiewicz, Artur Ryszard","Enhanced catalytic performance derived from stimuli-responsive supramolecular transformations between homometallic complexes and heterometallic polymeric materials","Nanoscale","2023","","","","","10.1039/D3NR01298K","","x-ray","0.71073","MoKα","","0.1025","0.0507","","","0.0882","0.1053","","","","","","0.944","","","","has coordinates","283605","2023-05-09","00:32:47","" "1569103","25.8992","0.001","25.3671","0.001","38.125","0.002","90","","92.409","0.001","90","","25025.5","1.9","193","2","193","2","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C162 H324 K9 Mo3 N18 O54 Sb24 -","- C162 H324 K9 Mo3 N18 O54 Sb24 -","- C648 H1296 K36 Mo12 N72 O216 Sb96 -","4","1","","Wang, Hui; Chen, Jia-Xiong; Zhou, Lu; Zhang, Xi; Yu, Jia; Wang, Kai; Zhang, Xiao-Hong","A dual-locked triarylamine donor enables high-performance deep-red/NIR thermally activated delayed fluorescence organic light-emitting diodes.","Materials horizons","2023","10","8","2997","3004","10.1039/d3mh00445g","","","0.71073","MoKα","","0.0951","0.0548","","","0.1285","0.1443","","","","","","0.987","","","","has coordinates,has disorder","285539","2023-08-05","09:39:24","" "1569104","27.0233","0.0002","9.00367","0.00009","8.96199","0.00008","90","","94.2689","0.0008","90","","2174.48","0.03","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-([(Z)-Methoxyimino]{2-[(2-methylphenoxy)methyl]phenyl}methyl)-1,3,4-oxadiazole-2(3H)-thione dimethyl sulfoxide monosolvate","","- C20 H23 N3 O4 S2 -","- C20 H23 N3 O4 S2 -","- C80 H92 N12 O16 S8 -","4","1","BT4133","Shripanavar, Chetan Shrimandhar; Balerao, Rishik; Butcher, Ray J.","5-([(Z)-Methoxyimino]{2-[(2-methylphenoxy)methyl]phenyl}methyl)-1,3,4-oxadiazole-2(3H)-thione dimethyl sulfoxide monosolvate","IUCrData","2023","8","3","","","10.1107/S2414314623002377","","","1.54184","CuKα","","0.0573","0.0535","","","0.1623","0.1659","","","","","","1.092","","","","has coordinates","283674","2023-05-11","01:49:16","" "1569105","29.8739","0.0008","10.6344","0.0004","7.6425","0.0004","90","","99.93","0.004","90","","2391.58","0.17","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[2-(thiophen-2-yl)quinoxaline-κN^4^]silver(I) perchlorate","","- C24 H16 Ag Cl N4 O4 S2 -","- C24 H16 Ag Cl N4 O4 S2 -","- C96 H64 Ag4 Cl4 N16 O16 S8 -","4","0.5","BT4134","Crundwell, Guy","Bis[2-(thiophen-2-yl)quinoxaline-κN 4]silver(I) perchlorate","IUCrData","2023","8","3","","","10.1107/S2414314623002468","","","0.71073","MoKα","","0.0592","0.0301","","","0.0671","0.0718","","","","","","0.821","","","","has coordinates,has disorder","283675","2023-05-11","01:49:37","" "1569106","18.9246","0.001","8.9789","0.0004","22.2776","0.0013","90","","120.967","0.007","90","","3245.9","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis-(2,3-di(thiophen-2'-yl)-5-methylquinoxaline)silver(I) nitrate","Bis[5-methyl-2,3-bis(thiophen-2-yl)quinoxaline-κN^1^](nitrato-κ^2^O,O')silver(I)","","- C34 H24 Ag N5 O3 S4 -","- C34 H24 Ag N5 O3 S4 -","- C136 H96 Ag4 N20 O12 S16 -","4","0.5","BT4136","Crundwell, Guy; Ellis, Kristin M.","Bis[5-methyl-2,3-bis(thiophen-2-yl)quinoxaline-κN 1](nitrato-κ2 O,O′)silver(I)","IUCrData","2023","8","3","","","10.1107/S2414314623002651","","x-ray","0.71073","MoKα","","0.0723","0.0412","","","0.0918","0.1068","","","","","","1.037","","","","has coordinates,has disorder","283676","2023-05-11","01:49:59","" "1569107","9.6342","0.0006","21.7612","0.0013","9.6649","0.0006","90","","90","","90","","2026.3","0.2","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H23 N O4 -","- C27 H23 N O4 -","- C108 H92 N4 O16 -","4","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of ortho-quinone dimethides via donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","1.54178","CuKα","","0.0297","0.0297","","","0.0776","0.0776","","","","","","1.072","","","","has coordinates","284911","2023-07-05","09:56:02","" "1569108","10.2681","0.0008","13.4445","0.001","18.5225","0.0014","75.214","0.003","78.879","0.003","68.82","0.002","2290.9","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H25 N O4 -","- C31 H25 N O4 -","- C124 H100 N4 O16 -","4","2","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of ortho-quinone dimethides via donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","1.54178","CuKα","","0.0347","0.0328","","","0.0875","0.0893","","","","","","1.045","","","","has coordinates","284911","2023-07-05","09:56:03","" "1569109","9.7117","0.0006","17.1656","0.0011","19.8546","0.0013","90","","90","","90","","3309.9","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H18 O4 -","- C22 H18 O4 -","- C176 H144 O32 -","8","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of ortho-quinone dimethides via donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0476","0.0417","","","0.1076","0.1131","","","","","","1.041","","","","has coordinates","284911","2023-07-05","09:56:03","" "1569110","19.1967","0.0009","13.7962","0.0006","13.848","0.0006","90","","90","","90","","3667.5","0.3","90","2","90","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H19 N O5 -","- C23 H19 N O5 -","- C184 H152 N8 O40 -","8","2","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of ortho-quinone dimethides via donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","1.54178","CuKα","","0.0343","0.0341","","","0.0903","0.0906","","","","","","1.045","","","","has coordinates,has disorder","284911","2023-07-05","09:56:03","" "1569111","11.0296","0.0003","13.7412","0.0003","17.5524","0.0004","90","","90","","90","","2660.24","0.11","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N O7 -","- C31 H29 N O7 -","- C124 H116 N4 O28 -","4","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of ortho-quinone dimethides via donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","1.54178","CuKα","","0.0238","0.0238","","","0.0613","0.0613","","","","","","1.068","","","","has coordinates,has disorder","284911","2023-07-05","09:56:03","" "1569112","9.7429","0.0007","14.3116","0.001","18.0645","0.0012","67.127","0.0015","81.542","0.0016","80.5606","0.0017","2279.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H54 N2 O15 -","- C52 H54 N2 O15 -","- C104 H108 N4 O30 -","2","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of ortho-quinone dimethides via donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0554","0.0483","","","0.1297","0.1365","","","","","","1.037","","","","has coordinates,has disorder","284911","2023-07-05","09:56:03","" "1569113","8.6339","0.0002","15.244","0.0003","33.422","0.0006","83.1131","0.0013","89.851","0.0013","83.6116","0.0014","4339.73","0.15","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H86 N4 O9 S8 -","- C104 H86 N4 O9 S8 -","- C208 H172 N8 O18 S16 -","2","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of ortho-quinone dimethides via donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","1.54178","CuKα","","0.0823","0.0609","","","0.1288","0.1436","","","","","","1.101","","","","has coordinates,has disorder","284911","2023-07-05","09:56:03","" "1569114","12.622","0.0011","9.9052","0.0009","13.1752","0.0011","90","","96.22","0.003","90","","1637.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of ortho-quinone dimethides via donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0506","0.0459","","","0.1176","0.1223","","","","","","1.03","","","","has coordinates","284911","2023-07-05","09:56:03","" "1569115","7.9089","0.0003","21.0205","0.0009","13.341","0.0006","90","","96.0784","0.0016","90","","2205.46","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O3 -","- C28 H26 N2 O3 -","- C112 H104 N8 O12 -","4","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of ortho-quinone dimethides via donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0413","0.0373","","","0.0945","0.0978","","","","","","1.039","","","","has coordinates","284911","2023-07-05","09:56:03","" "1569116","11.2062","0.001","11.4773","0.0011","16.2488","0.0015","90","","94.0553","0.0018","90","","2084.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N O5 -","- C24 H27 N O5 -","- C96 H108 N4 O20 -","4","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of ortho-quinone dimethides via donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0515","0.0462","","","0.1216","0.1275","","","","","","1.047","","","","has coordinates","284911","2023-07-05","09:56:03","" "1569117","11.3403","0.0004","11.8742","0.0004","12.8266","0.0005","75.401","0.0015","71.361","0.0015","62.6841","0.0013","1442.67","0.09","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 N2 O10 -","- C34 H28 N2 O10 -","- C68 H56 N4 O20 -","2","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of ortho-quinone dimethides via donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0426","0.037","","","0.0974","0.1012","","","","","","1.069","","","","has coordinates","284911","2023-07-05","09:56:03","" "1569118","12.199","0.005","14.356","0.005","21.64","0.005","83.953","0.005","86.895","0.005","66.88","0.005","3466","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H72 Cl2 N10 O Zn1.5 -","- C72 H72 Cl2 N10 O Zn1.5 -","- C144 H144 Cl4 N20 O2 Zn3 -","2","1","","Dhamija, Avinash; Chandel, Dolly; Rath, Sankar Prasad","Modulation of supramolecular chirality by stepwise axial coordination in a nano-size trizinc(ii)porphyrin trimer.","Chemical science","2023","14","22","6032","6038","10.1039/d3sc00858d","","","0.71073","MoKα","","0.393","0.1591","","","0.349","0.4507","","","","","","1.013","","","","has coordinates","284896","2023-07-05","09:43:17","" "1569119","11.212","0.0009","13.3082","0.0011","19.7177","0.0015","73.666","0.002","84.633","0.002","68.645","0.002","2629.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H100 Cl4 N12 O2 Zn2.4 -","- C120 H100 Cl4 N12 O2 Zn2.387 -","- C120 H100 Cl4 N12 O2 Zn2.387 -","1","0.5","","Dhamija, Avinash; Chandel, Dolly; Rath, Sankar Prasad","Modulation of supramolecular chirality by stepwise axial coordination in a nano-size trizinc(ii)porphyrin trimer.","Chemical science","2023","14","22","6032","6038","10.1039/d3sc00858d","","","0.71073","MoKα","","0.1071","0.0712","","","0.1985","0.2202","","","","","","1.059","","","","has coordinates","284896","2023-07-05","09:43:21","" "1569120","12.967","0.002","14.683","0.002","17.866","0.003","82.663","0.004","72.777","0.004","72.012","0.004","3087.8","0.8","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C132 H128 Cl4 N16 O2 Zn3 -","- C132 H128 Cl4 N16 O2 Zn3 -","- C132 H128 Cl4 N16 O2 Zn3 -","1","1","","Dhamija, Avinash; Chandel, Dolly; Rath, Sankar Prasad","Modulation of supramolecular chirality by stepwise axial coordination in a nano-size trizinc(ii)porphyrin trimer.","Chemical science","2023","14","22","6032","6038","10.1039/d3sc00858d","","","0.71073","MoKα","","0.0506","0.0452","","","0.1058","0.1086","","","","","","1.007","","","","has coordinates","284896","2023-07-05","09:43:31","" "1569121","9.26934","0.00012","14.15286","0.00015","12.30478","0.00015","90","","111.354","0.0014","90","","1503.42","0.03","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl N3 -","- C16 H18 Cl N3 -","- C64 H72 Cl4 N12 -","4","1","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.0366","0.0357","","","0.0967","0.0974","","","","","","1.098","","","","has coordinates","284904","2023-07-05","09:48:05","" "1569122","13.3991","0.0002","9.824","0.0001","13.8269","0.0002","90","","105.917","0.001","90","","1750.29","0.04","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl N4 O -","- C19 H19 Cl N4 O -","- C76 H76 Cl4 N16 O4 -","4","1","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.0401","0.0393","","","0.1039","0.1045","","","","","","1.037","","","","has coordinates","284904","2023-07-05","09:48:05","" "1569123","13.57251","0.00016","22.5778","0.0002","17.07448","0.00017","90","","99.922","0.0011","90","","5154","0.09","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C98 H104 Au6 B2 Cl2 F8 N18 -","- C98 H104 Au6 B2 Cl2 F8 N18 -","- C196 H208 Au12 B4 Cl4 F16 N36 -","2","0.5","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.0593","0.0496","","","0.1311","0.1376","","","","","","1.028","","","","has coordinates,has disorder","284904","2023-07-05","09:48:05","" "1569124","14.44142","0.00013","43.0804","0.0004","17.47381","0.00012","90","","92.7197","0.0007","90","","10859","0.16","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C116 H98 Au6 B2 Cl2 F8 N24 -","- C116 H98 Au6 B2 Cl2 F8 N24 -","- C464 H392 Au24 B8 Cl8 F32 N96 -","4","1","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.0449","0.0379","","","0.0949","0.0985","","","","","","1.033","","","","has coordinates,has disorder","284904","2023-07-05","09:48:05","" "1569125","28.2746","0.0008","33.2019","0.0008","29.4805","0.001","90","","106.484","0.003","90","","26537.9","1.4","93","2","93","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C103 H111 Ag3 Au6 B5 F20 N21 -","- C103 H111 Ag3 Au6 B5 F20 N21 -","- C824 H888 Ag24 Au48 B40 F160 N168 -","8","1","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.1197","0.097","","","0.2906","0.3128","","","","","","1.109","","","","has coordinates,has disorder","284904","2023-07-05","09:48:05","" "1569126","35.541","0.0003","15.07664","0.00017","50.5683","0.0005","90","","93.2056","0.0009","90","","27054.1","0.5","93","2","93","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C123 H109 Ag4 Au6 B6 Cl4 F24 N27 -","- C123 H108.5 Ag4 Au6 B6 Cl4 F24 N27 -","- C984 H868 Ag32 Au48 B48 Cl32 F192 N216 -","8","1","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.068","0.0605","","","0.1686","0.1753","","","","","","1.05","","","","has coordinates,has disorder","284904","2023-07-05","09:48:05","" "1569127","50.442","0.007","17.173","0.002","36.609","0.008","90","","126.454","0.009","90","","25507","8","260","","260","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0565","0.0415","","","0.0942","0.1033","","","","","","1.025","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569128","50.415","0.008","17.153","0.003","36.605","0.009","90","","126.479","0.01","90","","25453","9","250","","250","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0552","0.0403","","","0.1012","0.1128","","","","","","1.025","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569129","50.174","0.002","17.1013","0.0007","36.5414","0.0018","90","","126.54","0.001","90","","25191.1","1.9","170","","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.063","0.0455","","","0.1001","0.1133","","","","","","1.034","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569130","50.377","0.007","17.131","0.002","36.574","0.008","90","","126.572","0.007","90","","25349","8","230","","230","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.051","0.0362","","","0.0938","0.106","","","","","","1.03","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569131","50.203","0.003","17.1051","0.0008","36.545","0.002","90","","126.57","0.002","90","","25204","2","190","","190","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0561","0.0389","","","0.0876","0.1001","","","","","","1.029","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569132","50.392","0.008","17.139","0.003","36.582","0.008","90","","126.549","0.008","90","","25382","9","240","","240","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0528","0.038","","","0.0995","0.112","","","","","","1.028","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569133","50.309","0.009","17.123","0.003","36.562","0.009","90","","126.516","0.009","90","","25313","9","210","","210","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0531","0.0369","","","0.0948","0.1081","","","","","","1.041","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569134","50.01","0.011","17.139","0.004","35.795","0.012","90","","126.497","0.01","90","","24664","12","320","","320","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0724","0.0483","","","0.1108","0.1243","","","","","","1.032","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569135","50.078","0.012","17.124","0.004","35.793","0.013","90","","126.195","0.013","90","","24770","13","330","","330","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.081","0.0514","","","0.1182","0.1369","","","","","","1.046","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569136","14.2111","0.0008","20.6527","0.001","36.062","0.002","90","","98.644","0.002","90","","10463.9","1","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H77 N36 O20 -","- C84 H77 N36 O20 -","- C336 H308 N144 O80 -","4","1","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.0831","0.0576","","","0.1381","0.1518","","","","","","1.015","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569137","49.939","0.01","17.159","0.003","35.77","0.01","90","","126.581","0.009","90","","24614","10","310","","310","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0622","0.0424","","","0.1061","0.1185","","","","","","1.024","","","","has coordinates,has disorder","284907","2023-07-05","09:54:29","" "1569138","49.985","0.008","17.153","0.003","35.852","0.009","90","","126.717","0.009","90","","24641","9","290","","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0446","0.0326","","","0.0809","0.088","","","","","","1.02","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569139","49.896","0.008","17.153","0.003","35.759","0.008","90","","126.629","0.007","90","","24561","8","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H184 N76 O66 U6 -","- C204 H184 N76 O66 U6 -","- C816 H736 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0514","0.0367","","","0.0955","0.1051","","","","","","1.029","","","","has coordinates,has disorder","284907","2023-07-05","09:54:29","" "1569140","50.132","0.007","17.158","0.003","36.049","0.008","90","","126.771","0.007","90","","24839","8","280","","280","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0441","0.0327","","","0.0882","0.0953","","","","","","1.013","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569141","50.361","0.012","17.16","0.004","36.437","0.013","90","","126.564","0.012","90","","25291","13","270","","270","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.06","0.0465","","","0.1117","0.1192","","","","","","1.051","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569142","50.17","0.003","17.1438","0.0012","36.311","0.002","90","","126.806","0.002","90","","25006","3","170","2","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1035","0.0694","","","0.1646","0.1829","","","","","","1.043","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569143","50.341","0.003","17.162","0.0012","36.333","0.002","90","","126.839","0.002","90","","25122","3","260","2","260","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1029","0.0638","","","0.1534","0.1754","","","","","","1.022","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569144","50.335","0.003","17.1605","0.0012","36.326","0.002","90","","126.834","0.002","90","","25114","3","250","2","250","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1009","0.0633","","","0.1542","0.1755","","","","","","1.028","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569145","50.33","0.003","17.1651","0.0012","36.311","0.002","90","","126.842","0.002","90","","25105","3","260","2","260","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1021","0.0638","","","0.1537","0.1756","","","","","","1.012","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569146","50.273","0.003","17.1706","0.0012","36.207","0.002","90","","126.895","0.002","90","","24995","3","280","2","280","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1032","0.0633","","","0.1514","0.1731","","","","","","1.016","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569147","50.275","0.003","17.1463","0.0012","36.288","0.002","90","","126.859","0.002","90","","25029","3","210","2","210","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.099","0.0636","","","0.1554","0.1752","","","","","","1.045","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569148","50.254","0.003","17.1723","0.0012","36.173","0.002","90","","126.907","0.002","90","","24961","3","280","2","280","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1022","0.0633","","","0.1525","0.1742","","","","","","1.013","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569149","50.296","0.003","17.1689","0.0012","36.239","0.002","90","","126.873","0.002","90","","25034","3","270","2","270","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1021","0.0633","","","0.1514","0.1726","","","","","","1.018","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569150","50.321","0.003","17.1678","0.0012","36.282","0.002","90","","126.859","0.002","90","","25079","3","270","2","270","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1021","0.0627","","","0.151","0.1734","","","","","","1.005","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569151","50.184","0.003","17.1664","0.0012","36.104","0.002","90","","126.911","0.002","90","","24869","3","290","2","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1044","0.0639","","","0.1546","0.1762","","","","","","1.035","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569152","49.979","0.003","17.1586","0.0012","35.912","0.002","90","","126.778","0.002","90","","24667","3","330","2","330","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1217","0.0684","","","0.163","0.1917","","","","","","1.01","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569153","50.132","0.003","17.1643","0.0012","36.047","0.002","90","","126.895","0.002","90","","24806","3","300","2","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H182 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1079","0.0651","","","0.1589","0.1829","","","","","","1.022","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569154","50.227","0.003","17.17","0.0012","36.146","0.002","90","","126.913","0.002","90","","24924","3","290","2","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1038","0.0636","","","0.1564","0.1795","","","","","","1.005","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569155","50.01","0.003","17.1627","0.0012","35.932","0.002","90","","126.811","0.002","90","","24692","3","320","2","320","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1143","0.0672","","","0.1614","0.1874","","","","","","1.023","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569156","50.073","0.003","17.1624","0.0012","35.989","0.002","90","","126.86","0.002","90","","24746","3","310","2","310","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.112","0.0664","","","0.1623","0.1877","","","","","","1.013","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569157","50.041","0.003","17.1622","0.0012","35.968","0.002","90","","126.838","0.002","90","","24722","3","320","2","320","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1178","0.0672","","","0.1601","0.1873","","","","","","1.005","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569158","50.105","0.003","17.1636","0.0012","36.026","0.002","90","","126.878","0.002","90","","24783","3","310","2","310","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1111","0.0657","","","0.1583","0.183","","","","","","1.022","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569159","50.161","0.003","17.165","0.0012","36.082","0.002","90","","126.907","0.002","90","","24842","3","300","2","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1068","0.064","","","0.1552","0.1785","","","","","","1.021","","","","has coordinates","284907","2023-07-05","09:54:29","" "1569160","13.6441","0.0002","13.8612","0.0002","25.181","0.0005","90","","103.182","0.0019","90","","4636.84","0.14","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C53 H61 N5 O4 -","- C53 H61 N5 O4 -","- C212 H244 N20 O16 -","4","1","","Perera, Tharushi A.; Taylor, William V.; Gildner, M. Brenton; Reinheimer, Eric W.; Ito, Sho; Nelson, Anna; Yost, Shane R.; Hudnall, Todd W.","Photochemical reactions of a diamidocarbene: cyclopropanation of bromonaphthalene, addition to pyridine, and activation of sp3 C-H bonds.","Chemical science","2023","14","29","7867","7874","10.1039/d2sc05122b","","","1.54184","CuKα","","0.0527","0.0431","","","0.1147","0.1206","","","","","","1.054","","","","has coordinates","286027","2023-09-05","19:04:38","" "1569161","9.56","0.13","19.48","0.12","15.5","0.3","90","","94.1","0.2","90","","2879","7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 N2 O2 -","- C30 H40 N2 O2 -","- C120 H160 N8 O8 -","4","1","","Perera, Tharushi A.; Taylor, William V.; Gildner, M. Brenton; Reinheimer, Eric W.; Ito, Sho; Nelson, Anna; Yost, Shane R.; Hudnall, Todd W.","Photochemical reactions of a diamidocarbene: cyclopropanation of bromonaphthalene, addition to pyridine, and activation of sp3 C-H bonds.","Chemical science","2023","14","29","7867","7874","10.1039/d2sc05122b","","electron","0.0251","200keVelectrons","","0.2325","0.1648","","","0.3778","0.4084","","","","","","2.063","","","","has coordinates","286027","2023-09-05","19:04:39","" "1569162","14.8971","0.0001","23.3372","0.0002","33.3618","0.0003","90","","92.469","0.001","90","","11587.7","0.16","100.01","0.1","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C58 H63 Br N4 O4 -","- C58 H63 Br N4 O4 -","- C464 H504 Br8 N32 O32 -","8","1","","Perera, Tharushi A.; Taylor, William V.; Gildner, M. Brenton; Reinheimer, Eric W.; Ito, Sho; Nelson, Anna; Yost, Shane R.; Hudnall, Todd W.","Photochemical reactions of a diamidocarbene: cyclopropanation of bromonaphthalene, addition to pyridine, and activation of sp3 C-H bonds.","Chemical science","2023","14","29","7867","7874","10.1039/d2sc05122b","","","1.54184","CuKα","","0.0541","0.0518","","","0.1375","0.1389","","","","","","1.068","","","","has coordinates,has disorder","286027","2023-09-05","19:04:39","" "1569163","23.3077","0.0017","25.5036","0.0018","22.5731","0.0017","90","","106.17","0.003","90","","12887.3","1.6","133","2","133","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C60 H72 Co F20 N6 O4 -","- C60 H72 Co F20 N6 O4 -","- C480 H576 Co8 F160 N48 O32 -","8","2","","Gupta, Sandeep K.; Rao, Shashank V.; Demeshko, Serhiy; Dechert, Sebastian; Bill, Eckhard; Atanasov, Mihail; Neese, Frank; Meyer, Franc","Air-stable four-coordinate cobalt(ii) single-ion magnets: experimental and ab initio ligand field analyses of correlations between dihedral angles and magnetic anisotropy.","Chemical science","2023","14","23","6355","6374","10.1039/d3sc00813d","","","0.71073","MoKα","","0.1696","0.0866","","","0.1888","0.2317","","","","","","1.038","","","","has coordinates,has disorder","284910","2023-07-05","09:55:30","" "1569164","14.5633","0.0007","15.7822","0.0008","16.1274","0.0008","71.806","0.004","82.645","0.004","68.825","0.004","3283.2","0.3","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H40 F20 N4 O4 P2 Zn -","- C76 H40 F20 N4 O4 P2 Zn -","- C152 H80 F40 N8 O8 P4 Zn2 -","2","1","","Gupta, Sandeep K.; Rao, Shashank V.; Demeshko, Serhiy; Dechert, Sebastian; Bill, Eckhard; Atanasov, Mihail; Neese, Frank; Meyer, Franc","Air-stable four-coordinate cobalt(ii) single-ion magnets: experimental and ab initio ligand field analyses of correlations between dihedral angles and magnetic anisotropy.","Chemical science","2023","14","23","6355","6374","10.1039/d3sc00813d","","","0.71073","MoKα","","0.1029","0.0718","","","0.1404","0.1592","","","","","","1.115","","","","has coordinates,has disorder","284910","2023-07-05","09:55:31","" "1569165","15.8085","0.0007","16.057","0.0008","21.8265","0.0011","69.295","0.004","83.67","0.004","71.644","0.004","4918.8","0.4","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H40 Co F20 N4 O4 P2 -","- C76 H40 Co F20 N4 O4 P2 -","- C228 H120 Co3 F60 N12 O12 P6 -","3","1.5","","Gupta, Sandeep K.; Rao, Shashank V.; Demeshko, Serhiy; Dechert, Sebastian; Bill, Eckhard; Atanasov, Mihail; Neese, Frank; Meyer, Franc","Air-stable four-coordinate cobalt(ii) single-ion magnets: experimental and ab initio ligand field analyses of correlations between dihedral angles and magnetic anisotropy.","Chemical science","2023","14","23","6355","6374","10.1039/d3sc00813d","","","0.71073","MoKα","","0.1011","0.061","","","0.1956","0.2438","","","","","","1.063","","","","has coordinates,has disorder","284910","2023-07-05","09:55:31","" "1569166","20.7015","0.0009","14.4358","0.0005","24.8704","0.0012","90","","108.502","0.004","90","","7048.2","0.5","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H68 Co F20 K2 N4 O18 -","- C60 H68 Co F20 K2 N4 O18 -","- C240 H272 Co4 F80 K8 N16 O72 -","4","0.5","","Gupta, Sandeep K.; Rao, Shashank V.; Demeshko, Serhiy; Dechert, Sebastian; Bill, Eckhard; Atanasov, Mihail; Neese, Frank; Meyer, Franc","Air-stable four-coordinate cobalt(ii) single-ion magnets: experimental and ab initio ligand field analyses of correlations between dihedral angles and magnetic anisotropy.","Chemical science","2023","14","23","6355","6374","10.1039/d3sc00813d","","","0.71073","MoKα","","0.1214","0.0671","","","0.1897","0.2214","","","","","","1.08","","","","has coordinates","284910","2023-07-05","09:55:31","" "1569167","20.7537","0.0006","14.4628","0.0003","24.8305","0.0007","90","","108.382","0.002","90","","7072.7","0.3","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H68 F20 K2 N4 O18 Zn -","- C60 H68 F20 K2 N4 O18 Zn -","- C240 H272 F80 K8 N16 O72 Zn4 -","4","0.5","","Gupta, Sandeep K.; Rao, Shashank V.; Demeshko, Serhiy; Dechert, Sebastian; Bill, Eckhard; Atanasov, Mihail; Neese, Frank; Meyer, Franc","Air-stable four-coordinate cobalt(ii) single-ion magnets: experimental and ab initio ligand field analyses of correlations between dihedral angles and magnetic anisotropy.","Chemical science","2023","14","23","6355","6374","10.1039/d3sc00813d","","","0.71073","MoKα","","0.0521","0.0448","","","0.1481","0.1616","","","","","","1.123","","","","has coordinates","284910","2023-07-05","09:55:31","" "1569168","18.16775","0.00017","13.05007","0.00009","30.7237","0.0002","90","","102.709","0.0008","90","","7105.83","0.1","150","0.1","150","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C31 H51 Al K N3 O1.5 Si2 -","- C29 H47 Al K N3 O Si2 -","- C232 H376 Al8 K8 N24 O8 Si16 -","8","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0399","0.0384","","","0.1108","0.1123","","","","","","1.027","","","","has coordinates","284906","2023-07-05","09:49:11","" "1569169","12.313","0.0003","12.5109","0.0003","19.2634","0.0005","104.783","0.002","105.037","0.002","99.317","0.002","2687.05","0.13","120.1","0.2","120.1","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H83 Al K N5 O7 Si2 -","- C47 H83 Al K N5 O7 Si2 -","- C94 H166 Al2 K2 N10 O14 Si4 -","2","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0842","0.0814","","","0.1874","0.1889","","","","","","1.12","","","","has coordinates,has disorder","284906","2023-07-05","09:49:14","" "1569170","12.7748","0.0006","14.6769","0.0007","19.1675","0.0008","84.046","0.004","88.135","0.004","65.381","0.005","3249.3","0.3","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C67 H101.61 Al K N5 O3 Si2 -","- C67 H101.612 Al K N5 O3 Si2 -","- C134 H203.224 Al2 K2 N10 O6 Si4 -","2","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0747","0.0578","","","0.1426","0.1534","","","","","","1.032","","","","has coordinates,has disorder","284906","2023-07-05","09:49:15","" "1569171","22.07209","0.00013","19.9537","0.00013","24.4522","0.00016","90","","90","","90","","10769.2","0.12","125","7","125","7","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C54 H86 Al K N4 O2 Si2 -","- C54 H86 Al K N4 O2 Si2 -","- C432 H688 Al8 K8 N32 O16 Si16 -","8","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0365","0.0346","","","0.0929","0.095","","","","","","1.033","","","","has coordinates","284906","2023-07-05","09:49:15","" "1569172","11.59172","0.00014","22.52352","0.00017","24.5925","0.0002","90","","96.0048","0.0009","90","","6385.54","0.11","120.01","0.1","120.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H93 Al K N5 O3 Si2 -","- C63 H93 Al K N5 O3 Si2 -","- C252 H372 Al4 K4 N20 O12 Si8 -","4","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0401","0.0349","","","0.0885","0.0924","","","","","","1.003","","","","has coordinates","284906","2023-07-05","09:49:15","" "1569173","36.4496","0.0007","12.44536","0.00009","20.2703","0.0004","90","","136.513","0.003","90","","6328","0.4","150","0.1","150","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C68 H99 Al K N5 O Si2 -","- C68 H99 Al K N5 O Si2 -","- C272 H396 Al4 K4 N20 O4 Si8 -","4","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0248","0.0239","","","0.0599","0.0606","","","","","","1.011","","","","has coordinates","284906","2023-07-05","09:49:15","" "1569174","11.0552","0.0003","11.8345","0.0003","23.9671","0.0007","82.31","0.002","76.873","0.002","80.547","0.002","2997.03","0.14","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C131 H170 Al2 K2 N10 O2 Si4 -","- C131 H170 Al2 K2 N10 O2 Si4 -","- C131 H170 Al2 K2 N10 O2 Si4 -","1","0.5","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.1016","0.0903","","","0.2267","0.2336","","","","","","1.101","","","","has coordinates,has disorder","284906","2023-07-05","09:49:15","" "1569175","9.302","0.0008","10.4068","0.0009","12.0732","0.0011","86.046","0.002","82.838","0.002","88.953","0.002","1156.8","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(2,2'-Bipyridyl)(η^6^-p-cymene)iodidoruthenium(II) hexafluoridophosphate","","- C20 H22 F6 I N2 P Ru -","- C20 H22 F6 I N2 P Ru -","- C40 H44 F12 I2 N4 P2 Ru2 -","2","1","ZL4053","Kelani, Monsuru T.; Muller, Alfred; Lammertsma, Koop","(2,2′-Bipyridyl)(η6-p-cymene)iodidoruthenium(II) hexafluoridophosphate","IUCrData","2023","8","5","","","10.1107/S2414314623003929","","","0.71073","MoKα","","0.048","0.032","","","","0.0766","","","","","","1.05","","","","has coordinates,has disorder","283744","2023-05-13","01:45:01","" "1569176","9.7925","0.0003","7.9648","0.0003","11.8039","0.0004","90","","113.553","0.001","90","","843.95","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,6,7,8-Tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one","","- C9 H10 N4 O -","- C9 H10 N4 O -","- C36 H40 N16 O4 -","4","1","TK4091","Ettahiri, Walid; Dalbouha, Amal; Baouid, Abdesselam; Alsubari, Abdulsalam; Mague, Joel T.; Taleb, Mustapha; Ramli, Youssef","5,6,7,8-Tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one","IUCrData","2023","8","5","","","10.1107/S2414314623004091","","","1.54178","CuKα","","0.0303","0.03","","","0.0799","0.0801","","","","","","1.068","","","","has coordinates","283745","2023-05-13","01:45:24","" "1569177","25.399","0.002","25.399","0.002","30.418","0.002","90","","90","","120","","16994","2","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","Tetrakis(triethylenediamin-1-ium) dodeca-μ~2~-chlorido-hexakis(thiocyanato-κN)hexa-octahedro-niobate","","- C30 H52 Cl12 N14 Nb6 S6 -","- C30 H52 Cl12 N14 Nb6 S6 -","- C360 H624 Cl144 N168 Nb72 S72 -","12","0.666667","WM4186","Sperlich, Eric; Köckerling, Martin","Tetrakis(triethylenediamin-1-ium) dodeca-μ2-chlorido-hexakis(thiocyanato-κN)hexa-octahedro-niobate","IUCrData","2023","8","5","","","10.1107/S241431462300398X","","","0.71073","MoKα","","0.0504","0.0396","","","0.0842","0.0932","","","","","","1.087","","","","has coordinates,has disorder","283746","2023-05-13","01:45:58","" "1569178","9.8368","0.0014","10.2783","0.0015","13.2857","0.0018","97.689","0.009","108.305","0.008","108.103","0.008","1171.6","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","5-[(4-Methylphenyl)sulfonyl]-1-phenylthiopyrano[4,3-b]indole-3(5H)-thione dichloromethane monosolvate","","","- C25 H19 Cl2 N O2 S3 -","- C25 H19 Cl2 N O2 S3 -","- C50 H38 Cl4 N2 O4 S6 -","2","1","BT4137","Dassonneville, Benjamin; Schollmeyer, Dieter; Detert, Heiner","5-[(4-Methylphenyl)sulfonyl]-1-phenylthiopyrano[4,3-b]indole-3(5H)-thione dichloromethane monosolvate","IUCrData","2023","8","5","","","10.1107/S2414314623003541","","","1.54178","CuKα","","0.0414","0.0379","","","0.1037","0.1065","","","","","","1.017","","","","has coordinates","283747","2023-05-13","01:46:34","" "1569179","11.0183","0.0008","14.4087","0.001","17.3579","0.0009","65.994","0.006","87.485","0.005","71.975","0.006","2383.1","0.3","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H49 N3 S -","- C54 H49 N3 S -","- C108 H98 N6 S2 -","2","1","","Tabata, Naoki; Uchino, Takumi; Kitamura, Chitoshi; Yoshizawa, Kazunari; Shiota, Yoshihito; Kato, Shin-Ichiro","Site-selective radical reactions of kinetically stable open-shell singlet diradicaloid difluorenoheteroles with tributyltin hydride and azo-based radical initiators.","Chemical science","2023","14","22","5974","5982","10.1039/d3sc00381g","","x-ray","0.71073","MoKα","","0.1642","0.0884","","","0.2055","0.2488","","","","","","0.975","","","","has coordinates,has disorder","284889","2023-07-05","09:38:59","" "1569180","18.046","0.0017","9.8055","0.001","24.994","0.003","90","","110.269","0.004","90","","4148.8","0.8","150","2","150","2","","","","","","","","5","P 1 m 1","P -2y","6","","","","- C112 H67 N24 O32 Zn10 -","- C111.5 H67 N24 O30 Zn10 -","- C111.5 H67 N24 O30 Zn10 -","1","0.5","","Liu, Jiaqi; Wang, Hao; Li, Jing","Pillar-layer Zn-triazolate-dicarboxylate frameworks with a customized pore structure for efficient ethylene purification from ethylene/ethane/acetylene ternary mixtures.","Chemical science","2023","14","22","5912","5917","10.1039/d3sc01134h","","","1.34139","GaKα","","0.0618","0.0587","","","0.1826","0.1847","","","","","","1.083","","","","has coordinates,has disorder","284897","2023-07-05","09:43:44","" "1569181","8.553","0.002","11.731","0.003","15.988","0.006","94.57","0.02","104.856","0.01","96.38","0.013","1531.1","0.8","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C84 H80 O4 -","- C84 H80 O4 -","- C84 H80 O4 -","1","0.5","","Chang, Dongdong; Zhu, Jiangyu; Sun, Yutao; Chi, Kai; Qiao, Yanjun; Wang, Teng; Zhao, Yan; Liu, Yunqi; Lu, Xuefeng","From closed-shell edge-extended kekulenes to open-shell carbonylated cycloarene diradicaloid.","Chemical science","2023","14","22","6087","6094","10.1039/d3sc01295f","","","1.54178","CuKα","","0.0748","0.0501","","","0.1345","0.1509","","","","","","1.048","","","","has coordinates,has disorder","284894","2023-07-05","09:42:35","" "1569182","10.2129","0.0003","14.2075","0.0004","16.4062","0.0004","64.469","0.002","74.622","0.002","69.798","0.002","1996.82","0.1","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C100 H84 Cl6 O6 -","- C100 H84 Cl6 O6 -","- C100 H84 Cl6 O6 -","1","0.5","","Chang, Dongdong; Zhu, Jiangyu; Sun, Yutao; Chi, Kai; Qiao, Yanjun; Wang, Teng; Zhao, Yan; Liu, Yunqi; Lu, Xuefeng","From closed-shell edge-extended kekulenes to open-shell carbonylated cycloarene diradicaloid.","Chemical science","2023","14","22","6087","6094","10.1039/d3sc01295f","","","1.54178","CuKα","","0.1188","0.0742","","","0.2098","0.2472","","","","","","1.026","","","","has coordinates","284894","2023-07-05","09:42:36","" "1569183","9.5464","0.0008","11.1446","0.0007","19.3904","0.0008","87.388","0.004","88.255","0.006","79.15","0.007","2023.5","0.2","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C100 H86 Cl6 O4 -","- C98 H84 O4 -","- C98 H84 O4 -","1","0.5","","Chang, Dongdong; Zhu, Jiangyu; Sun, Yutao; Chi, Kai; Qiao, Yanjun; Wang, Teng; Zhao, Yan; Liu, Yunqi; Lu, Xuefeng","From closed-shell edge-extended kekulenes to open-shell carbonylated cycloarene diradicaloid.","Chemical science","2023","14","22","6087","6094","10.1039/d3sc01295f","","x-ray","1.54184","CuKα","","0.1176","0.081","","","0.2385","0.2818","","","","","","0.948","","","","has coordinates","284894","2023-07-05","09:42:36","" "1569184","8.6954","0.0002","15.609","0.0003","17.0505","0.0004","103.955","0.001","92.887","0.001","99.039","0.001","2208.59","0.09","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C119 H116 O4 -","- C119 H116 O4 -","- C119 H116 O4 -","1","0.5","","Chang, Dongdong; Zhu, Jiangyu; Sun, Yutao; Chi, Kai; Qiao, Yanjun; Wang, Teng; Zhao, Yan; Liu, Yunqi; Lu, Xuefeng","From closed-shell edge-extended kekulenes to open-shell carbonylated cycloarene diradicaloid.","Chemical science","2023","14","22","6087","6094","10.1039/d3sc01295f","","","1.54178","CuKα","","0.063","0.0456","","","0.1159","0.1264","","","","","","1.046","","","","has coordinates,has disorder","284894","2023-07-05","09:42:36","" "1569185","7.349","0.002","11.275","0.003","17.533","0.004","90","","90","","90","","1452.8","0.6","170","2","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O2 S -","- C18 H16 O2 S -","- C72 H64 O8 S4 -","4","1","","Liang, Ren-Xiao; Tang, Heng-Wei; Liu, Jia-Liang; Xu, Jian-Feng; Chen, Ling-Jia; Jia, Yi-Xia","Cobalt-catalyzed enantioselective desymmetrizing reductive cyclization of alkynyl cyclodiketones.","Chemical science","2023","14","23","6393","6398","10.1039/d3sc00119a","","","0.71073","MoKα","","0.0285","0.028","","","0.074","0.0748","","","","","","1.086","","","","has coordinates,has disorder","284909","2023-07-05","09:55:10","" "1569186","8.874","0.017","16.683","0.012","16.979","0.012","118.128","0.004","102.945","0.004","94.354","0.006","2112","5","100","2","100.15","","","","","","","","","9","P -1","-P 1","2","","","","- C46 H37 Br2 Cl2 N Ni O P2 S2 -","- C46 H37 Br2 Cl2 N Ni O P2 S2 -","- C92 H74 Br4 Cl4 N2 Ni2 O2 P4 S4 -","2","1","","Chen, Luo; Li, Tao; Xie, Bin; Lai, Chuan; Ji, Run-Wu; He, Jia-Yu; Cao, Jia-Xi; Liu, Meng-Nan; Li, Wei; Zhang, Dong-Liang","Electrocatalytic hydrogen evolution by robust square planar nickel complexes in an S2P2 coordination environment","Catalysis Science & Technology","2023","13","12","3655","3666","10.1039/D2CY02158G","","","0.71073","MoKα","","0.0876","0.0666","","","0.186","0.1993","","","","","","1.031","","","","has coordinates,has disorder","284830","2023-07-05","08:28:05","" "1569187","8.889","0.0018","14.156","0.003","16.604","0.003","99.93","0.003","100.826","0.003","95.15","0.003","2005.2","0.7","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C47 H41 N Ni O P2 S2 -","- C47 H41 N Ni O P2 S2 -","- C94 H82 N2 Ni2 O2 P4 S4 -","2","1","","Chen, Luo; Li, Tao; Xie, Bin; Lai, Chuan; Ji, Run-Wu; He, Jia-Yu; Cao, Jia-Xi; Liu, Meng-Nan; Li, Wei; Zhang, Dong-Liang","Electrocatalytic hydrogen evolution by robust square planar nickel complexes in an S2P2 coordination environment","Catalysis Science & Technology","2023","13","12","3655","3666","10.1039/D2CY02158G","","","0.71073","MoKα","","0.0462","0.036","","","0.0871","0.0941","","","","","","1.037","","","","has coordinates","284830","2023-07-05","08:28:31","" "1569188","4.8187","0.0004","15.7239","0.0018","22.4752","0.0016","90","","91.507","0.005","90","","1702.3","0.3","273","","273","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 F N3 O2 -","- C22 H16 F N3 O2 -","- C88 H64 F4 N12 O8 -","4","1","","Tacke, Eléonore; Hoang, Minh-Duc; Tatoueix, Kevin; Keromnes, Benoît; Van Eslande, Elsa; Durand, Philippe; Pieters, Gregory; Chevalier, Arnaud","Unprecedented perspectives on the application of CinNapht fluorophores provided by a ""late-stage"" functionalization strategy.","Chemical science","2023","14","22","6000","6010","10.1039/d3sc01365k","","x-ray","1.54187","CuKα","","0.2014","0.0934","","","0.2397","0.3593","","","","","","0.933","","","","has coordinates","284888","2023-07-05","09:38:28","" "1569189","9.9901","0.0002","9.9901","0.0002","15.6499","0.0004","90","","90","","90","","1561.89","0.06","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C9 H21 Br3 N4 -","- C9 H21 Br3 N4 -","- C36 H84 Br12 N16 -","4","0.5","","Qaroush, Abdussalam K.; Eftaiha, Ala'a F.; Al-Qaisi, Feda'a M.; Assaf, Khaleel I.; Hammad, Suhad B.; Al-Anati, Malak H.; Radwan, Enas S.; Awwadi, Firas F.","Newly synthesized imidazolium precursors for CO2 utilization and sequestration: aprotic versus protic salts","Catalysis Science & Technology","2023","13","11","3245","3257","10.1039/D3CY00270E","","x-ray","0.71073","MoKα","","0.0551","0.036","","","0.0514","0.0556","","","","","","1.06","","","","has coordinates","284829","2023-07-05","08:27:18","" "1569190","11.8624","0.0004","4.0641","0.0002","26.0523","0.0009","90","","94.013","0.003","90","","1252.9","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N2 O6 -","- C32 H28 N2 O6 -","- C64 H56 N4 O12 -","2","0.5","","Guo, Weihan; Wang, Mingda; Si, Leilei; Wang, Yigang; Xia, Guomin; Wang, Hongming","Precise peripheral design enables propeller-like squaraine dye with highly sensitive and wide-range piezochromism.","Chemical science","2023","14","23","6348","6354","10.1039/d3sc01730c","","","1.54178","CuKα","","0.0517","0.0445","","","0.1207","0.1263","","","","","","1.093","","","","has coordinates","284908","2023-07-05","09:55:01","" "1569191","11.9476","0.0002","5.8409","0.0001","15.0139","0.0003","90","","95.536","0.002","90","","1042.85","0.03","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C56 H40 N4 O4 -","2","0.5","","Guo, Weihan; Wang, Mingda; Si, Leilei; Wang, Yigang; Xia, Guomin; Wang, Hongming","Precise peripheral design enables propeller-like squaraine dye with highly sensitive and wide-range piezochromism.","Chemical science","2023","14","23","6348","6354","10.1039/d3sc01730c","","","1.54178","CuKα","","0.0432","0.0395","","","0.1022","0.1054","","","","","","1.049","","","","has coordinates","284908","2023-07-05","09:55:02","" "1569192","22.5871","0.0009","6.0324","0.0002","25.2819","0.001","90","","114.529","0.005","90","","3133.9","0.2","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 N6 O2 -","- C36 H40 N6 O2 -","- C144 H160 N24 O8 -","4","0.5","","Guo, Weihan; Wang, Mingda; Si, Leilei; Wang, Yigang; Xia, Guomin; Wang, Hongming","Precise peripheral design enables propeller-like squaraine dye with highly sensitive and wide-range piezochromism.","Chemical science","2023","14","23","6348","6354","10.1039/d3sc01730c","","","1.54178","CuKα","","0.0556","0.0461","","","0.1219","0.1279","","","","","","1.054","","","","has coordinates","284908","2023-07-05","09:55:02","" "1569193","8.5815","0.0002","23.7567","0.0005","38.1133","0.0012","90","","90","","90","","7770.1","0.3","200","0.1","200","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C299 H342 Cl22 N48 O16 -","- C299 H342 Cl22 N48 O16 -","- C299 H342 Cl22 N48 O16 -","1","0.125","","Guo, Weihan; Wang, Mingda; Si, Leilei; Wang, Yigang; Xia, Guomin; Wang, Hongming","Precise peripheral design enables propeller-like squaraine dye with highly sensitive and wide-range piezochromism.","Chemical science","2023","14","23","6348","6354","10.1039/d3sc01730c","","x-ray","1.54184","CuKα","","0.1221","0.0915","","","0.239","0.2588","","","","","","1.13","","","","has coordinates,has disorder","284908","2023-07-05","09:55:02","" "1569194","5.665","0.0001","11.8408","0.0002","12.1314","0.0002","107.953","0.001","101.48","0.001","92.508","0.001","753.81","0.02","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","1-(3,5-dimethoxybenzyl)-4-phenyl-1H-1,2,3-triazole","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C34 H34 N6 O4 -","2","1","","Lennox, Cameron B.; Borchers, Tristan H.; Gonnet, Lori; Barrett, Christopher J.; Koenig, Stefan G.; Nagapudi, Karthik; Friščić, Tomislav","Direct mechanocatalysis by resonant acoustic mixing (RAM).","Chemical science","2023","14","27","7475","7481","10.1039/d3sc01591b","","","1.54178","CuKα","","0.0675","0.0504","","","0.1332","0.1604","","","","","","0.963","","","","has coordinates","286034","2023-09-05","19:07:05","" "1569195","13.2708","0.0001","13.2708","0.0001","15.0958","0.0001","90","","90","","120","","2302.4","0.03","293","2","293","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- Al7.44 Ca2.62 K2.63 Mg0.6 Na0.13 O100.8 Si28.56 -","- Al7.44 Ca2.6236 K2.63 Mg0.6 Na0.132 O100.8 Si28.56 -","- Al7.44 Ca2.6236 K2.63 Mg0.6 Na0.132 O100.8 Si28.56 -","1","0.0416667","TI5026","Giacobbe, Carlotta; Moliterni, Anna; Di Giuseppe, Dario; Malferrari, Daniele; Wright, Jonathan P.; Mattioli, Michele; Ranieri, Simona; Giannini, Cinzia; Fornasini, Laura; Mugnaioli, Enrico; Ballirano, Paolo; Gualtieri, Alessandro F.","The crystal structure of the killer fibre erionite from Tuzköy (Cappadocia, Turkey).","IUCrJ","2023","","","","","10.1107/S2052252523003500","","x-ray","0.3257","synchrotron","","0.0383","0.0379","","","0.1137","0.1141","","","","","","1.089","","","","has coordinates","283892","2023-05-19","02:12:52","" "1569196","8.8872","0.0019","8.8922","0.0019","11.772","0.003","94.374","0.006","110.139","0.006","93.747","0.006","866.7","0.3","300","","300","","","","","","","","","4","P -1","-P 1","2","","1-Benzyl-3-[(4-methoxyphenyl)imino]indolin-2-one","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C44 H36 N4 O4 -","2","1","BH4074","Odedokun, Omobola A.; Ikotun, Adebomi A.; Ajaelu, Chijioke J.; Bhuvanesh, Nattamai","1-Benzyl-3-[(4-methoxyphenyl)imino]indolin-2-one","IUCrData","2023","8","5","","","10.1107/S2414314623004182","","","0.71073","MoKα","","0.0571","0.0435","","","0.1009","0.1088","","","","","","1.025","","","","has coordinates","283905","2023-05-20","01:57:57","" "1569197","9.26014","0.00012","11.7541","0.0002","21.9162","0.0003","90","","90","","90","","2385.46","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N3 O2 S -","- C24 H31 N3 O2 S -","- C96 H124 N12 O8 S4 -","4","1","","Wang, Rui; Wang, Chuan","Asymmetric imino-acylation of alkenes enabled by HAT-photo/nickel cocatalysis.","Chemical science","2023","14","23","6449","6456","10.1039/d3sc01945d","","x-ray","1.54184","CuKα","","0.043","0.0408","","","0.1181","0.1214","","","","","","1.021","","","","has coordinates","284903","2023-07-05","09:47:26","" "1569198","5.47055","0.00006","23.5365","0.0003","14.44919","0.00014","90","","94.2334","0.001","90","","1855.37","0.04","150","2","150.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H15 F6 N O4 S -","- C17 H15 F6 N O4 S -","- C68 H60 F24 N4 O16 S4 -","4","2","","Clark, Ella F.; Kociok-Köhn, Gabriele; Davidson, Matthew G.; Buchard, Antoine","Polymers from sugars and isothiocyanates: ring-opening copolymerization of a d-xylose anhydrosugar oxetane","Polymer Chemistry","2023","14","23","2838","2847","10.1039/D3PY00443K","","x-ray","1.54184","CuKα","","0.0343","0.0318","","","0.0795","0.0809","","","","","","1.011","","","","has coordinates","284980","2023-07-05","11:04:29","" "1569199","10.612","0.0007","13.2639","0.0008","13.3533","0.0008","90","","104.195","0.002","90","","1822.2","0.2","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C22 H19 Br O3 -","- C22 H19 Br O3 -","- C88 H76 Br4 O12 -","4","2","","Guin, Avishek; Bhattacharjee, Subrata; Harariya, Mahesh Singh; Biju, Akkattu T.","Lewis acid-catalyzed diastereoselective carbofunctionalization of bicyclobutanes employing naphthols.","Chemical science","2023","14","24","6585","6591","10.1039/d3sc01373a","","","0.71073","MoKα","","0.041","0.0318","","","0.0663","0.0688","","","","","","1.019","","","","has coordinates","284887","2023-07-05","09:38:08","" "1569200","9.3235","0.0017","9.838","0.002","17.181","0.004","90","","90","","90","","1575.9","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Br O3 -","- C17 H19 Br O3 -","- C68 H76 Br4 O12 -","4","1","","Duran, Jordi; Mateos, Javier; Moyano, Albert; Companyó, Xavier","Catalytic asymmetric defluorinative allylation of silyl enol ethers.","Chemical science","2023","14","26","7147","7153","10.1039/d3sc01498c","","","0.71073","MoKα","","0.0348","0.0253","","","0.049","0.0524","","","","","","1.024","","","","has coordinates","286053","2023-09-05","19:13:30","" "1569201","10.2482","0.0003","23.7215","0.0005","11.0876","0.0003","90","","115.082","0.003","90","","2441.25","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Dyn[4]arene","","","- C32 H38 O30 S8 -","- C32 H38 O30 S8 -","- C64 H76 O60 S16 -","2","1","","Zhang, Yuan; Ourri, Benjamin; Skowron, Pierre-Thomas; Jeamet, Emeric; Chetot, Titouan; Duchamp, Christian; Belenguer, Ana M.; Vanthuyne, Nicolas; Cala, Olivier; Dumont, Elise; Mandal, Pradeep K.; Huc, Ivan; Perret, Florent; Vial, Laurent; Leclaire, Julien","Self-assembly of achiral building blocks into chiral cyclophanes using non-directional interactions.","Chemical science","2023","14","26","7126","7135","10.1039/d3sc01235b","","","1.54184","CuKα","","0.0591","0.0578","","","0.166","0.1695","","","","","","1.143","","","","has coordinates,has disorder","286055","2023-09-05","19:15:39","" "1569202","10.7495","0.0018","11.9064","0.0017","19.424","0.003","90","","98.589","0.014","90","","2458.2","0.7","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","dyn[4]arene","","","- C37 H32.5 N2 O17.75 S8 -","- C37 H32.5 N2 O17.75 S8 -","- C74 H65 N4 O35.5 S16 -","2","1","","Zhang, Yuan; Ourri, Benjamin; Skowron, Pierre-Thomas; Jeamet, Emeric; Chetot, Titouan; Duchamp, Christian; Belenguer, Ana M.; Vanthuyne, Nicolas; Cala, Olivier; Dumont, Elise; Mandal, Pradeep K.; Huc, Ivan; Perret, Florent; Vial, Laurent; Leclaire, Julien","Self-assembly of achiral building blocks into chiral cyclophanes using non-directional interactions.","Chemical science","2023","14","26","7126","7135","10.1039/d3sc01235b","","","1.54184","CuKα","","0.1547","0.0917","","","0.2248","0.2683","","","","","","1.02","","","","has coordinates","286055","2023-09-05","19:15:40","" "1569203","10.644","0.002","11.901","0.002","22.63","0.005","101.4","0.03","90.57","0.03","99.4","0.03","2769.7","1","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","dyn[4]arene","","","- C36 H22 Co N2 O28 S8 -","- C36 H22 Co N2 O28 S8 -","- C72 H44 Co2 N4 O56 S16 -","2","1","","Zhang, Yuan; Ourri, Benjamin; Skowron, Pierre-Thomas; Jeamet, Emeric; Chetot, Titouan; Duchamp, Christian; Belenguer, Ana M.; Vanthuyne, Nicolas; Cala, Olivier; Dumont, Elise; Mandal, Pradeep K.; Huc, Ivan; Perret, Florent; Vial, Laurent; Leclaire, Julien","Self-assembly of achiral building blocks into chiral cyclophanes using non-directional interactions.","Chemical science","2023","14","26","7126","7135","10.1039/d3sc01235b","","","0.82655","Synchrotron","","0.1389","0.1353","","","0.4438","0.4583","","","","","","2.503","","","","has coordinates,has disorder","286055","2023-09-05","19:15:40","" "1569204","49.4947","0.0007","49.4947","0.0007","35.6973","0.0005","90","","90","","120","","75732.7","1.8","100","2","100","","","","","","","","","4","P 6 2 2","P 6 2","177","","","","- C192 H96 O64 S16 -","- C192 H96 O64 S16 -","- C1152 H576 O384 S96 -","6","0.5","","Zhang, Yuan; Ourri, Benjamin; Skowron, Pierre-Thomas; Jeamet, Emeric; Chetot, Titouan; Duchamp, Christian; Belenguer, Ana M.; Vanthuyne, Nicolas; Cala, Olivier; Dumont, Elise; Mandal, Pradeep K.; Huc, Ivan; Perret, Florent; Vial, Laurent; Leclaire, Julien","Self-assembly of achiral building blocks into chiral cyclophanes using non-directional interactions.","Chemical science","2023","14","26","7126","7135","10.1039/d3sc01235b","","","0.97625","Synchrotron","","0.1871","0.1083","","","0.274","0.3616","","","","","","0.918","","","","has coordinates","286055","2023-09-05","19:15:40","" "1569205","7.9192","0.0003","9.0455","0.0003","17.8728","0.0006","90","","92.107","0.003","90","","1279.42","0.08","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N6 O10 Zn2 -","- C24 H26 N6 O10 Zn2 -","- C48 H52 N12 O20 Zn4 -","2","0.5","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions via substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0361","0.031","","","0.083","0.0852","","","","","","1.065","","","","has coordinates","284884","2023-07-05","09:35:44","" "1569206","9.0073","0.00005","13.58036","0.00007","19.66015","0.0001","90","","99.5336","0.0005","90","","2371.66","0.02","300.51","0.1","300.51","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N6 O8 Zn2 -","- C22 H22 N6 O8 Zn2 -","- C88 H88 N24 O32 Zn8 -","4","1","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions via substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0274","0.0261","","","0.0714","0.0719","","","","","","1.047","","","","has coordinates,has disorder","284884","2023-07-05","09:35:44","" "1569207","8.3971","0.0001","15.8016","0.0001","10.0739","0.0001","90","","112.858","0.001","90","","1231.71","0.02","276","3","276","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N6 O10 Zn2 -","- C22 H22 N6 O10 Zn2 -","- C44 H44 N12 O20 Zn4 -","2","0.5","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions via substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0242","0.0233","","","0.0633","0.0635","","","","","","1.054","","","","has coordinates","284884","2023-07-05","09:35:44","" "1569208","7.9761","0.0001","8.7999","0.0001","10.5943","0.0002","98.605","0.001","97.133","0.001","98.842","0.001","718.204","0.019","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N8 O14 Zn2 -","- C24 H28 N8 O14 Zn2 -","- C24 H28 N8 O14 Zn2 -","1","0.5","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions via substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0225","0.0218","","","0.0547","0.0552","","","","","","1.055","","","","has coordinates","284884","2023-07-05","09:35:44","" "1569209","8.5081","0.0001","17.0816","0.0001","9.7088","0.0001","90","","104.246","0.001","90","","1367.61","0.02","271.26","0.13","271.26","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H23.84 Br2 N4 O10 Zn2 -","- C22 H24 Br2 N6 O10 Zn2 -","- C44 H48 Br4 N12 O20 Zn4 -","2","0.5","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions via substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0298","0.0289","","","0.0795","0.0822","","","","","","1.08","","","","has coordinates,has disorder","284884","2023-07-05","09:35:44","" "1569210","8.37106","0.00007","17.24574","0.00011","9.47691","0.00008","90","","105.366","0.0008","90","","1319.23","0.018","172.99","0.1","172.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cl2 N6 O10 Zn2 -","- C22 H24 Cl2 N6 O10 Zn2 -","- C44 H48 Cl4 N12 O20 Zn4 -","2","0.5","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions via substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0229","0.0222","","","0.0546","0.0551","","","","","","1.058","","","","has coordinates,has disorder","284884","2023-07-05","09:35:44","" "1569211","8.1441","0.0001","17.9862","0.0002","9.4493","0.0001","90","","109.211","0.001","90","","1307.07","0.03","272.1","0.8","272.1","0.8","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 F2 N6 O10 Zn2 -","- C22 H24 F2 N6 O10 Zn2 -","- C44 H48 F4 N12 O20 Zn4 -","2","0.5","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions via substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.031","0.0302","","","0.0725","0.0731","","","","","","1.085","","","","has coordinates,has disorder","284884","2023-07-05","09:35:44","" "1569212","19.9701","0.0003","17.0535","0.0003","8.023","0.0002","90","","97.808","0.002","90","","2706.98","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N6 O9 Zn2 -","- C25 H28 N6 O9 Zn2 -","- C100 H112 N24 O36 Zn8 -","4","1","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions via substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0512","0.0445","","","0.119","0.1253","","","","","","1.043","","","","has coordinates,has disorder","284884","2023-07-05","09:35:44","" "1569213","13.8755","0.0013","7.1896","0.0005","14.6846","0.0013","90","","93.679","0.003","90","","1461.9","0.2","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O4 S -","- C17 H14 O4 S -","- C68 H56 O16 S4 -","4","1","","Wang, Yulong; Shen, Shenyu; He, Chonglong; Zhou, Youkang; Zhang, Keyuan; Rao, Bin; Han, Tian; Su, Yaqiong; Duan, Xin-Hua; Liu, Le","Cu(ii)-mediated direct intramolecular cyclopropanation of distal olefinic acetate: access to cyclopropane-fused γ-lactones.","Chemical science","2023","14","24","6663","6668","10.1039/d3sc01752d","","","0.71073","MoKα","","0.0606","0.0403","","","0.0931","0.105","","","","","","1.015","","","","has coordinates","284881","2023-07-05","09:33:43","" "1569214","7.9842","0.0004","21.6573","0.0012","21.6791","0.0011","90","","90","","90","","3748.7","0.3","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Cycloheptanone","3-phenyl-3-(2,4,6-trimethoxyphenyl)cycloheptan-1-one","","- C22 H26 O4 -","- C22 H26 O4 -","- C176 H208 O32 -","8","1","","Singha, Tushar; Kadam, Ganesh Arjun; Hari, Durga Prasad","Photocatalyzed Dowd-Beckwith radical-polar crossover reaction for the synthesis of medium-sized carbocyclic compounds.","Chemical science","2023","14","25","6930","6935","10.1039/d3sc01908j","","","0.71073","MoKα","","0.0734","0.0688","","","0.1436","0.1459","","","","","","1.289","","","","has coordinates","284899","2023-07-05","09:44:56","" "1569215","8.0064","0.0007","24.8727","0.0017","10.4677","0.0008","90","","110.575","0.003","90","","1951.6","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5a,5b-diphenyldodecahydrocyclobuta[1,2:3,4]di[7]annulene-1,10-dione","","- C26 H28 O2 -","- C26 H28 O2 -","- C104 H112 O8 -","4","1","","Singha, Tushar; Kadam, Ganesh Arjun; Hari, Durga Prasad","Photocatalyzed Dowd-Beckwith radical-polar crossover reaction for the synthesis of medium-sized carbocyclic compounds.","Chemical science","2023","14","25","6930","6935","10.1039/d3sc01908j","","","0.71073","MoKα","","0.0785","0.0678","","","0.1488","0.1542","","","","","","1.178","","","","has coordinates","284899","2023-07-05","09:44:56","" "1569216","15.808","0.003","15.808","0.003","7.9627","0.0018","90","","90","","90","","1989.8","0.7","120","2","120","2","","","","","","","","5","P 42","P 4c","77","","","","- C6 H16 B F4 N -","- C6 H16 B F4 N -","- C48 H128 B8 F32 N8 -","8","2","","Sahoo, Supriya; Kothavade, Premkumar Anil; Naphade, Dipti R.; Torris, Arun; Praveenkumar, Balu; Zaręba, Jan K; Anthopoulos, Thomas D.; Shanmuganathan, Kadhiravan; Boomishankar, Ramamoorthy","3D-printed polymer composite devices based on a ferroelectric chiral ammonium salt for high-performance piezoelectric energy harvesting.","Materials horizons","2023","10","8","3153","3161","10.1039/d3mh00444a","","","0.71073","MoKα","","0.0932","0.0896","","","0.2317","0.2359","","","","","","1.805","","","","has coordinates","285537","2023-08-05","09:38:44","" "1569217","15.93","0.03","15.93","0.03","8.241","0.016","90","","90","","90","","2091","7","298","2","298","2","","","","","","","","5","P 42","P 4c","77","","","","- C6 H16 B F4 N -","- C6 H16 B F4 N -","- C48 H128 B8 F32 N8 -","8","2","","Sahoo, Supriya; Kothavade, Premkumar Anil; Naphade, Dipti R.; Torris, Arun; Praveenkumar, Balu; Zaręba, Jan K; Anthopoulos, Thomas D.; Shanmuganathan, Kadhiravan; Boomishankar, Ramamoorthy","3D-printed polymer composite devices based on a ferroelectric chiral ammonium salt for high-performance piezoelectric energy harvesting.","Materials horizons","2023","10","8","3153","3161","10.1039/d3mh00444a","","","0.71073","MoKα","","0.1628","0.085","","","0.2143","0.2837","","","","","","1.023","","","","has coordinates,has disorder","285537","2023-08-05","09:38:48","" "1569218","8.8993","0.0006","18.8352","0.0012","20.4134","0.0016","90","","102.59","","90","","3339.4","0.4","60","2","60","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H0.25 Ag2 Fe N7 O2 -","- C36 H21 Ag2 Fe N7 O2 -","- C144 H84 Ag8 Fe4 N28 O8 -","4","0.5","","Yan, Fei-Fei; Jiang, Wen-Jing; Yao, Nian-Tao; Mao, Pan-Dong; Zhao, Liang; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Manipulating fluorescence by photo-switched spin-state conversions in an iron(ii)-based SCO-MOF.","Chemical science","2023","14","25","6936","6942","10.1039/d3sc01217d","","","0.71073","MoKα","","0.097","0.071","","","0.1995","0.2202","","","","","","1.04","","","","has coordinates","284902","2023-07-05","09:46:53","" "1569219","8.9674","0.0011","19.1331","0.0019","20.71","0.002","90","","102.5","","90","","3469.1","0.6","270","2","270","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H21 Ag2 Fe N7 O2 -","- C36 H21 Ag2 Fe N7 O2 -","- C144 H84 Ag8 Fe4 N28 O8 -","4","0.5","","Yan, Fei-Fei; Jiang, Wen-Jing; Yao, Nian-Tao; Mao, Pan-Dong; Zhao, Liang; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Manipulating fluorescence by photo-switched spin-state conversions in an iron(ii)-based SCO-MOF.","Chemical science","2023","14","25","6936","6942","10.1039/d3sc01217d","","","0.71073","MoKα","","0.0965","0.061","","","0.1596","0.1829","","","","","","1.051","","","","has coordinates","284902","2023-07-05","09:46:54","" "1569220","8.9631","0.0004","18.8914","0.001","20.4693","0.001","90","","102.65","","90","","3381.8","0.3","120","2","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H21 Ag2 Fe N7 O2 -","- C36 H21 Ag2 Fe N7 O2 -","- C144 H84 Ag8 Fe4 N28 O8 -","4","0.5","","Yan, Fei-Fei; Jiang, Wen-Jing; Yao, Nian-Tao; Mao, Pan-Dong; Zhao, Liang; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Manipulating fluorescence by photo-switched spin-state conversions in an iron(ii)-based SCO-MOF.","Chemical science","2023","14","25","6936","6942","10.1039/d3sc01217d","","","0.71073","MoKα","","0.0798","0.063","","","0.1762","0.1896","","","","","","1.058","","","","has coordinates","284902","2023-07-05","09:46:54","" "1569221","8.8187","0.0005","19.2165","0.0011","20.7495","0.001","90","","101.652","0.002","90","","3443.8","0.3","30","2","30","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H21 Ag2 Fe N7 O2 -","- C36 H21 Ag2 Fe N7 O2 -","- C144 H84 Ag8 Fe4 N28 O8 -","4","0.5","","Yan, Fei-Fei; Jiang, Wen-Jing; Yao, Nian-Tao; Mao, Pan-Dong; Zhao, Liang; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Manipulating fluorescence by photo-switched spin-state conversions in an iron(ii)-based SCO-MOF.","Chemical science","2023","14","25","6936","6942","10.1039/d3sc01217d","","","0.71073","MoKα","","0.0597","0.057","","","0.139","0.1411","","","","","","1.06","","","","has coordinates,has disorder","284902","2023-07-05","09:46:54","" "1569222","8.929","0.002","18.861","0.004","20.414","0.005","90","","102.505","0.007","90","","3356.4","1.3","30","2","30","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H21 Ag2 Fe N7 O2 -","- C36 H21 Ag2 Fe N7 O2 -","- C144 H84 Ag8 Fe4 N28 O8 -","4","0.5","","Yan, Fei-Fei; Jiang, Wen-Jing; Yao, Nian-Tao; Mao, Pan-Dong; Zhao, Liang; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Manipulating fluorescence by photo-switched spin-state conversions in an iron(ii)-based SCO-MOF.","Chemical science","2023","14","25","6936","6942","10.1039/d3sc01217d","","","0.71073","MoKα","","0.0719","0.0686","","","0.1801","0.1832","","","","","","1.03","","","","has coordinates","284902","2023-07-05","09:46:54","" "1569223","9.06","0.006","18.758","0.012","20.224","0.011","90","","102.25","0.02","90","","3359","4","30","2","30","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H21 Ag2 Fe N7 O2 -","- C36 H21 Ag2 Fe N7 O2 -","- C144 H84 Ag8 Fe4 N28 O8 -","4","0.5","","Yan, Fei-Fei; Jiang, Wen-Jing; Yao, Nian-Tao; Mao, Pan-Dong; Zhao, Liang; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Manipulating fluorescence by photo-switched spin-state conversions in an iron(ii)-based SCO-MOF.","Chemical science","2023","14","25","6936","6942","10.1039/d3sc01217d","","","0.71073","MoKα","","0.0931","0.0666","","","0.1687","0.1935","","","","","","1.063","","","","has coordinates","284902","2023-07-05","09:46:54","" "1569224","9.8832","0.0012","10.4913","0.0012","16.8579","0.0014","75.651","0.009","87.092","0.008","71.514","0.01","1605.3","0.3","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H41 Br2 F5 N2 Pd -","- C27 H41 Br2 F5 N2 Pd -","- C54 H82 Br4 F10 N4 Pd2 -","2","1","","Fernández-Moyano, Sara; Salamanca, Vanesa; Albéniz, Ana C","Palladium mono-N-protected amino acid complexes: experimental validation of the ligand cooperation model in C-H activation.","Chemical science","2023","14","24","6688","6694","10.1039/d3sc02076b","","x-ray","1.54184","CuKα","","0.0833","0.0626","","","0.1674","0.2009","","","","","","1.024","","","","has coordinates","284882","2023-07-05","09:34:01","" "1569225","10.093","0.0007","11.7688","0.0008","14.7684","0.0009","107.49","0.006","107.025","0.006","100.307","0.006","1529.8","0.2","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 F5 N2 O2 Pd -","- C14 H11 F5 N2 O2 Pd -","- C56 H44 F20 N8 O8 Pd4 -","4","2","","Fernández-Moyano, Sara; Salamanca, Vanesa; Albéniz, Ana C","Palladium mono-N-protected amino acid complexes: experimental validation of the ligand cooperation model in C-H activation.","Chemical science","2023","14","24","6688","6694","10.1039/d3sc02076b","","x-ray","0.71073","MoKα","","0.0718","0.0434","","","0.0829","0.1029","","","","","","1.039","","","","has coordinates","284882","2023-07-05","09:34:02","" "1569226","10.3513","0.0004","9.1559","0.0003","28.7456","0.0008","90","","90","","90","","2724.38","0.16","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H9 F5 N2 O2 Pd -","- C11 H9 F5 N2 O2 Pd -","- C88 H72 F40 N16 O16 Pd8 -","8","1","","Fernández-Moyano, Sara; Salamanca, Vanesa; Albéniz, Ana C","Palladium mono-N-protected amino acid complexes: experimental validation of the ligand cooperation model in C-H activation.","Chemical science","2023","14","24","6688","6694","10.1039/d3sc02076b","","","0.71073","MoKα","","0.0694","0.0384","","","0.0716","0.0869","","","","","","1.079","","","","has coordinates","284882","2023-07-05","09:34:02","" "1569227","18.3972","0.0005","12.8302","0.0004","19.2798","0.0005","90","","92.492","0.002","90","","4546.5","0.2","298","","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H82 N4 O6 Pd -","- C40 H82 N4 O6 Pd -","- C160 H328 N16 O24 Pd4 -","4","0.5","","Fernández-Moyano, Sara; Salamanca, Vanesa; Albéniz, Ana C","Palladium mono-N-protected amino acid complexes: experimental validation of the ligand cooperation model in C-H activation.","Chemical science","2023","14","24","6688","6694","10.1039/d3sc02076b","","x-ray","0.71073","MoKα","","0.0561","0.044","","","0.1167","0.1284","","","","","","1.056","","","","has coordinates,has disorder","284882","2023-07-05","09:34:02","" "1569228","9.8649","0.0003","34.9214","0.0014","13.1305","0.0005","90","","109.505","0.004","90","","4263.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25.14 H11.43 F11.43 N2.29 Pd1.14 -","- C25.1429 H11.4286 F11.4286 N2.28571 Pd1.14286 -","- C176 H80 F80 N16 Pd8 -","7","1.75","","Fernández-Moyano, Sara; Salamanca, Vanesa; Albéniz, Ana C","Palladium mono-N-protected amino acid complexes: experimental validation of the ligand cooperation model in C-H activation.","Chemical science","2023","14","24","6688","6694","10.1039/d3sc02076b","","x-ray","0.71073","MoKα","","0.0689","0.0394","","","0.0778","0.0971","","","","","","1.027","","","","has coordinates","284882","2023-07-05","09:34:02","" "1569229","28.5552","0.0004","13.9204","0.0002","16.0184","0.0002","90","","103.054","0.002","90","","6202.76","0.15","99.99","0.1","99.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Fe N6 -","- C28 H20 Fe N6 -","- C224 H160 Fe8 N48 -","8","1","","Tuczek, Felix; Grunwald, Jan; Torres, Jorge; Buchholz, Axel; Nather, Christian; Spieker, Lea; Gruber, Manuel; Rohlf, Sebastian; Thakur, Sangeeta; Wende, Heiko; Plass, Winfried; Kuch, Wolfgang","Defying the inverse energy gap law: a vacuum-evaporable Fe(II) low-spin complex with a long-lived LIESST state","Chemical Science","2023","","","","","10.1039/D3SC00561E","","x-ray","1.54184","CuKα","","0.0565","0.0543","","","0.1644","0.1667","","","","","","1.086","","","","has coordinates","284031","2023-05-26","22:26:52","" "1569230","9.9527","0.0001","13.2457","0.0001","19.3402","0.0002","90","","95.088","0.001","90","","2539.58","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 Cl2 N6 Zn -","- C29 H22 Cl2 N6 Zn -","- C116 H88 Cl8 N24 Zn4 -","4","1","","Tuczek, Felix; Grunwald, Jan; Torres, Jorge; Buchholz, Axel; Nather, Christian; Spieker, Lea; Gruber, Manuel; Rohlf, Sebastian; Thakur, Sangeeta; Wende, Heiko; Plass, Winfried; Kuch, Wolfgang","Defying the inverse energy gap law: a vacuum-evaporable Fe(II) low-spin complex with a long-lived LIESST state","Chemical Science","2023","","","","","10.1039/D3SC00561E","","x-ray","1.54184","CuKα","","0.0392","0.039","","","0.1113","0.1114","","","","","","1.061","","","","has coordinates","284031","2023-05-26","22:26:52","" "1569231","9.1239","0.0002","22.1397","0.0006","9.5463","0.0003","90","","101.799","0.003","90","","1887.61","0.09","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-Picolylammonium perchlorate monohydrate","Pyridin-4-ylmethanaminium perchlorate monohydrate","","- C6 H11 Cl N2 O5 -","- C6 H11 Cl N2 O5 -","- C48 H88 Cl8 N16 O40 -","8","2","WM4189","Seidel, Rüdiger W.; Kolev, Tsonko M.","Pyridin-4-ylmethanaminium perchlorate monohydrate","IUCrData","2023","8","5","","","10.1107/S2414314623004595","","x-ray","0.71073","MoKα","","0.0736","0.0434","","","0.0887","0.1013","","","","","","1.041","","","","has coordinates","284041","2023-05-27","02:17:20","" "1569232","15.9812","0.0002","16.2986","0.0001","18.9525","0.0002","90","","111.355","0.001","90","","4597.64","0.09","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H68 Fe N3 O P -","- C52 H68 Fe N3 O P -","- C208 H272 Fe4 N12 O4 P4 -","4","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [FeII(μ-E)FeII] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","1.54184","CuKα","","0.0392","0.0352","","","0.0927","0.0953","","","","","","1.085","","","","has coordinates","284886","2023-07-05","09:37:47","" "1569233","9.805","0.0001","14.5687","0.0002","17.0188","0.0002","104.34","0.001","91.146","0.001","109.034","0.001","2213.03","0.05","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H58 Cl2 Fe N3 P Se -","- C48 H58 Cl2 Fe N3 P Se -","- C96 H116 Cl4 Fe2 N6 P2 Se2 -","2","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [FeII(μ-E)FeII] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","0.71073","MoKα","","0.0473","0.0361","","","0.0804","0.0838","","","","","","1.073","","","","has coordinates,has disorder","284886","2023-07-05","09:37:47","" "1569234","10.26323","0.00012","24.3533","0.0002","16.73625","0.00017","90","","97.7035","0.0011","90","","4145.36","0.07","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H68 Fe N3 P Te -","- C41 H68 Fe N3 P Te -","- C164 H272 Fe4 N12 P4 Te4 -","4","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [FeII(μ-E)FeII] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","0.71073","MoKα","","0.0617","0.048","","","0.1401","0.1501","","","","","","1.078","","","","has coordinates","284886","2023-07-05","09:37:47","" "1569235","10.5924","0.0002","20.9429","0.0003","15.9207","0.0003","90","","104.292","0.002","90","","3422.47","0.11","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C69 H100 Fe2 K2 N6 O Te -","- C69 H100 Fe2 K2 N6 O Te -","- C138 H200 Fe4 K4 N12 O2 Te2 -","2","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [FeII(μ-E)FeII] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","","0.71073","MoKα","","0.0275","0.0253","","","0.0567","0.0574","","","","","","1.048","","","","has coordinates","284886","2023-07-05","09:37:47","" "1569236","9.8215","0.0001","24.9832","0.0003","19.1363","0.0003","90","","101.22","0.001","90","","4605.78","0.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H64 Fe N3 P S -","- C54 H64 Fe N3 P S -","- C216 H256 Fe4 N12 P4 S4 -","4","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [FeII(μ-E)FeII] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","0.71073","MoKα","","0.0656","0.0553","","","0.1529","0.159","","","","","","1.028","","","","has coordinates,has disorder","284886","2023-07-05","09:37:47","" "1569237","23.3804","0.0002","13.8531","0.0001","23.0007","0.0001","90","","98.825","0.001","90","","7361.53","0.09","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H108 Fe2 K2 N6 O -","- C78 H108 Fe2 K2 N6 O -","- C312 H432 Fe8 K8 N24 O4 -","4","0.5","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [FeII(μ-E)FeII] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","0.71073","MoKα","","0.0415","0.0377","","","0.1044","0.1067","","","","","","1.037","","","","has coordinates,has disorder","284886","2023-07-05","09:37:47","" "1569238","14.1307","0.0001","15.1864","0.0001","16.7593","0.0001","104.573","0.001","102.792","0.001","92.504","0.001","3375.48","0.05","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H102 Fe2 K2 N6 O2 Se -","- C66 H102 Fe2 K2 N6 O2 Se -","- C132 H204 Fe4 K4 N12 O4 Se2 -","2","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [FeII(μ-E)FeII] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","0.71073","MoKα","","0.0406","0.0314","","","0.0714","0.0743","","","","","","1.039","","","","has coordinates,has disorder","284886","2023-07-05","09:37:47","" "1569239","14.1136","0.0001","15.1869","0.0001","16.7298","0.0001","104.896","0.001","102.806","0.001","92.236","0.001","3361.61","0.04","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H102 Fe2 K2 N6 O2 S -","- C66 H102 Fe2 K2 N6 O2 S -","- C132 H204 Fe4 K4 N12 O4 S2 -","2","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [FeII(μ-E)FeII] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","0.71073","MoKα","","0.0372","0.0318","","","0.0772","0.0798","","","","","","1.054","","","","has coordinates","284886","2023-07-05","09:37:47","" "1569240","28.1786","0.0002","31.8205","0.0004","36.1804","0.0005","90","","91.8449","0.001","90","","32424.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C144 H120 As8 Au13 Cl4 -","- C144 H120 As8 Au13 Cl4 -","- C1152 H960 As64 Au104 Cl32 -","8","2","","Yu, Jiu-Hong; Yuan, Zhi-Rui; Xu, Jing; Wang, Jin-Gui; Azam, Mohammad; Li, Tian-Duo; Li, Ying-Zhou; Sun, Di","Monoarsine-protected icosahedral cluster [Au13(AsPh3)8Cl4]+: comparative studies on ligand effect and surface reactivity with its stibine analogue.","Chemical science","2023","14","24","6564","6571","10.1039/d3sc01311a","","","1.54184","CuKα","","0.1543","0.1337","","","0.3421","0.3562","","","","","","1.077","","","","has coordinates","284885","2023-07-05","09:36:35","" "1569241","13.2861","0.0004","13.9323","0.0004","14.0077","0.0004","83.702","0.002","75.517","0.003","86.706","0.002","2494.14","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H45 As3 Au Cl -","- C54 H45 As3 Au Cl -","- C108 H90 As6 Au2 Cl2 -","2","1","","Yu, Jiu-Hong; Yuan, Zhi-Rui; Xu, Jing; Wang, Jin-Gui; Azam, Mohammad; Li, Tian-Duo; Li, Ying-Zhou; Sun, Di","Monoarsine-protected icosahedral cluster [Au13(AsPh3)8Cl4]+: comparative studies on ligand effect and surface reactivity with its stibine analogue.","Chemical science","2023","14","24","6564","6571","10.1039/d3sc01311a","","","1.54184","CuKα","","0.0288","0.0267","","","0.065","0.066","","","","","","1.055","","","","has coordinates","284885","2023-07-05","09:36:44","" "1569242","5.7781","0.0002","10.145","0.0004","14.0978","0.0004","90","","90","","90","","826.4","0.05","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Chang, Kai-Hsin; Peng, Yu-Chiang; Su, Kuan-Hsuan; Lin, Yi-Hsien; Liu, Jiun-Chi; Liu, Ying-Hsuan; Hsu, Chao-Hsien; Yang, Hsiao-Ching; Chou, Pi-Tai","Long-range hydrogen-bond relay catalyses the excited-state proton transfer reaction.","Chemical science","2023","14","26","7237","7247","10.1039/d3sc01441j","","","0.71073","MoKα","","0.0434","0.0393","","","0.1069","0.1111","","","","","","1.07","","","","has coordinates","286058","2023-09-05","19:17:20","" "1569243","14.2369","0.0003","9.021","0.0002","16.3159","0.0005","90","","109.044","0.003","90","","1980.78","0.09","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14.75 H23.55 Fe N0.95 P5 -","- C14.75 H23.55 Fe N0.95 P5 -","- C59 H94.2 Fe4 N3.8 P20 -","4","1","","Reichl, Stephan; Riedlberger, Felix; Piesch, Martin; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Controlled introduction of functional groups at one P atom in [Cp*Fe(η5-P5)] and release of functionalised phosphines.","Chemical science","2023","14","26","7285","7290","10.1039/d3sc01488f","","x-ray","0.71073","MoKα","","0.0385","0.0328","","","0.0851","0.0883","","","","","","1.051","","","","has coordinates,has disorder","286051","2023-09-05","19:13:04","" "1569244","11.2089","0.0005","11.4407","0.0004","18.1308","0.0008","90","","105.764","0.004","90","","2237.6","0.17","123","1","123","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C17 H30 Br Fe P5 -","- C17 H29.5 Br Fe P5 -","- C68 H118 Br4 Fe4 P20 -","4","1","","Reichl, Stephan; Riedlberger, Felix; Piesch, Martin; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Controlled introduction of functional groups at one P atom in [Cp*Fe(η5-P5)] and release of functionalised phosphines.","Chemical science","2023","14","26","7285","7290","10.1039/d3sc01488f","","x-ray","0.71073","MoKα","","0.0483","0.0349","","","0.0752","0.0807","","","","","","1.064","","","","has coordinates,has disorder","286051","2023-09-05","19:13:05","" "1569245","8.8375","0.0004","14.5973","0.0007","16.2499","0.0008","63.684","0.005","89.773","0.004","81.732","0.004","1855.28","0.18","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H48 Fe2 P10 -","- C28 H48 Fe2 P10 -","- C56 H96 Fe4 P20 -","2","1","","Reichl, Stephan; Riedlberger, Felix; Piesch, Martin; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Controlled introduction of functional groups at one P atom in [Cp*Fe(η5-P5)] and release of functionalised phosphines.","Chemical science","2023","14","26","7285","7290","10.1039/d3sc01488f","","","1.54184","CuKα","","0.0434","0.0356","","","0.087","0.0919","","","","","","1.03","","","","has coordinates","286051","2023-09-05","19:13:05","" "1569246","11.7026","0.0006","14.3826","0.0005","18.9471","0.0007","85.336","0.003","85.053","0.004","88.352","0.004","3165.9","0.2","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H40 Fe P6 -","- C29 H40 Fe P6 -","- C116 H160 Fe4 P24 -","4","2","","Reichl, Stephan; Riedlberger, Felix; Piesch, Martin; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Controlled introduction of functional groups at one P atom in [Cp*Fe(η5-P5)] and release of functionalised phosphines.","Chemical science","2023","14","26","7285","7290","10.1039/d3sc01488f","","","1.54184","CuKα","","0.0737","0.0626","","","0.1432","0.1471","","","","","","1.068","","","","has coordinates,has disorder","286051","2023-09-05","19:13:05","" "1569247","15.5101","0.0003","12.8109","0.0002","24.2981","0.0003","90","","101.449","0.001","90","","4731.92","0.13","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40.5 H76 Cl Fe2 P10 -","- C31 H54 Fe2 P10 -","- C124 H216 Fe8 P40 -","4","1","","Reichl, Stephan; Riedlberger, Felix; Piesch, Martin; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Controlled introduction of functional groups at one P atom in [Cp*Fe(η5-P5)] and release of functionalised phosphines.","Chemical science","2023","14","26","7285","7290","10.1039/d3sc01488f","","x-ray","0.71073","MoKα","","0.0687","0.0458","","","0.1141","0.1252","","","","","","1.026","","","","has coordinates,has disorder","286051","2023-09-05","19:13:05","" "1569248","23.7639","0.0003","10.4977","0.0002","29.5824","0.0004","90","","99.209","0.001","90","","7284.69","0.19","150","0.2","150","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H92 N5 O27.71 S2 W7 -","- C54 H92 N5 O27.7072 S2 W7 -","- C216 H368 N20 O110.829 S8 W28 -","4","1","","Shiels, Dominic; Pascual-Borràs, Magda; Waddell, Paul G.; Wills, Corinne; Poblet, Josep-Maria; Errington, R. John","A thirty-year old mystery solved: identification of a new heptatungstate from non-aqueous solutions.","Chemical communications (Cambridge, England)","2023","59","51","7919","7922","10.1039/d3cc02061d","","x-ray","1.54184","CuKα","","0.0492","0.037","","","0.0889","0.0974","","","","","","1.016","","","","has coordinates,has disorder","284838","2023-07-05","08:47:40","" "1569249","32.1867","0.0008","17.5143","0.0004","28.2674","0.0007","90","","90.691","0.002","90","","15934","0.7","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C118 H261 N10 O43 W13 -","- C118 H261 N10 O43 W13 -","- C472 H1044 N40 O172 W52 -","4","1","","Shiels, Dominic; Pascual-Borràs, Magda; Waddell, Paul G.; Wills, Corinne; Poblet, Josep-Maria; Errington, R. John","A thirty-year old mystery solved: identification of a new heptatungstate from non-aqueous solutions.","Chemical communications (Cambridge, England)","2023","59","51","7919","7922","10.1039/d3cc02061d","","x-ray","0.71073","MoKα","","0.1213","0.0514","","","0.0869","0.1119","","","","","","1.069","","","","has coordinates,has disorder","284838","2023-07-05","08:47:43","" "1569250","9.9799","0.0003","15.196","0.0006","16.9612","0.0007","113.174","0.004","97.818","0.003","97.371","0.003","2295.56","0.17","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H45 Cl3 O6 S4 -","- C47 H45 Cl3 O6 S4 -","- C94 H90 Cl6 O12 S8 -","2","1","","Qin, Wenjie; Ni, Qian; Jiao, Wenjun; Ma, Yuanhong","B(C6F5)3-catalyzed regio- and stereoselective thiosulfonylation of terminal alkynes with thiosulfonates.","Chemical communications (Cambridge, England)","2023","59","51","7951","7954","10.1039/d3cc02151c","","x-ray","1.54184","CuKα","","0.09","0.0661","","","0.1733","0.1859","","","","","","1.038","","","","has coordinates","284832","2023-07-05","08:45:02","" "1569251","11.2557","0.0008","20.5955","0.0016","17.0359","0.0013","90","","101.483","0.003","90","","3870.2","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H60 I2 Mo N3 P3 -","- C30 H60 I2 Mo N3 P3 -","- C120 H240 I8 Mo4 N12 P12 -","4","1","","Jin, Li; Zhang, Guoqiang; Yang, Xiaoqin; Song, Jinyi; Wang, Jin; Liao, Qian","A synthetic cycle for iminophosphorane synthesis involving direct intermolecular NP bond formation on N2-derived molybdenum nitride.","Chemical communications (Cambridge, England)","2023","59","51","7955","7958","10.1039/d3cc01925j","","","0.71073","MoKα","","0.0493","0.0425","","","0.1049","0.1097","","","","","","1.032","","","","has coordinates","284833","2023-07-05","08:45:35","" "1569252","32.1147","0.0011","12.0242","0.0004","19.6739","0.0007","90","","103.547","0.002","90","","7385.8","0.4","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H46 I2 Mo N3 P3 -","- C31 H46 I2 Mo N3 P3 -","- C248 H368 I16 Mo8 N24 P24 -","8","1","","Jin, Li; Zhang, Guoqiang; Yang, Xiaoqin; Song, Jinyi; Wang, Jin; Liao, Qian","A synthetic cycle for iminophosphorane synthesis involving direct intermolecular NP bond formation on N2-derived molybdenum nitride.","Chemical communications (Cambridge, England)","2023","59","51","7955","7958","10.1039/d3cc01925j","","","1.54178","CuKα","","0.084","0.0628","","","0.1643","0.1896","","","","","","1.049","","","","has coordinates","284833","2023-07-05","08:45:36","" "1569253","25.9591","0.0003","13.17384","0.00015","14.86566","0.00017","90","","90","","90","","5083.77","0.1","170","2","170","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C21 H33 I Mo N2 O3 P2 -","- C21 H33 I Mo N2 O3 P2 -","- C168 H264 I8 Mo8 N16 O24 P16 -","8","0.5","","Jin, Li; Zhang, Guoqiang; Yang, Xiaoqin; Song, Jinyi; Wang, Jin; Liao, Qian","A synthetic cycle for iminophosphorane synthesis involving direct intermolecular NP bond formation on N2-derived molybdenum nitride.","Chemical communications (Cambridge, England)","2023","59","51","7955","7958","10.1039/d3cc01925j","","","1.54178","CuKα","","0.0378","0.0374","","","0.1007","0.101","","","","","","1.087","","","","has coordinates,has disorder","284833","2023-07-05","08:45:36","" "1569254","11.1871","0.0003","18.9167","0.0005","22.6936","0.0006","90","","90","","90","","4802.5","0.2","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C36 H69 I3 Mo N2 Na O7 P2 -","- C36 H69 I3 Mo N2 Na O7 P2 -","- C144 H276 I12 Mo4 N8 Na4 O28 P8 -","4","1","","Jin, Li; Zhang, Guoqiang; Yang, Xiaoqin; Song, Jinyi; Wang, Jin; Liao, Qian","A synthetic cycle for iminophosphorane synthesis involving direct intermolecular NP bond formation on N2-derived molybdenum nitride.","Chemical communications (Cambridge, England)","2023","59","51","7955","7958","10.1039/d3cc01925j","","","1.54178","CuKα","","0.023","0.022","","","0.0557","0.0561","","","","","","1.032","","","","has coordinates,has disorder","284833","2023-07-05","08:45:36","" "1569255","17.0447","0.0019","12.5657","0.0013","16.0127","0.0017","90","","105.891","0.002","90","","3298.5","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 I2 Mo N3 P3 -","- C26 H44 I2 Mo N3 P3 -","- C104 H176 I8 Mo4 N12 P12 -","4","1","","Jin, Li; Zhang, Guoqiang; Yang, Xiaoqin; Song, Jinyi; Wang, Jin; Liao, Qian","A synthetic cycle for iminophosphorane synthesis involving direct intermolecular NP bond formation on N2-derived molybdenum nitride.","Chemical communications (Cambridge, England)","2023","59","51","7955","7958","10.1039/d3cc01925j","","","0.71073","MoKα","","0.0745","0.0508","","","0.1123","0.1261","","","","","","1.013","","","","has coordinates","284833","2023-07-05","08:45:36","" "1569256","12.818","0.007","6.851","0.003","12.453","0.005","90","","90","","90","","1093.6","0.9","274","2","274","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H13 I N P -","- C8 H13 I N P -","- C32 H52 I4 N4 P4 -","4","0.5","","Jin, Li; Zhang, Guoqiang; Yang, Xiaoqin; Song, Jinyi; Wang, Jin; Liao, Qian","A synthetic cycle for iminophosphorane synthesis involving direct intermolecular NP bond formation on N2-derived molybdenum nitride.","Chemical communications (Cambridge, England)","2023","59","51","7955","7958","10.1039/d3cc01925j","","","0.71073","MoKα","","0.0444","0.0349","","","0.0843","0.0907","","","","","","1.066","","","","has coordinates","284833","2023-07-05","08:45:36","" "1569257","16.9776","0.0017","14.3793","0.0004","26.623","0.003","90","","143.57","0.02","90","","3859.6","1.9","159.99","0.1","159.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H20 Bi4 O16.3 -","- C36 H20 Bi4 O16.2938 -","- C144 H80 Bi16 O65.1752 -","4","1","","Gao, Zengqiang; Hou, Man; Shi, Yongxia; Li, Li; Sun, Qisheng; Yang, Shuyuan; Jiang, Zhiqiang; Yang, Wenjuan; Zhang, Zhicheng; Hu, Wenping","A conductive catecholate-based framework coordinated with unsaturated bismuth boosts CO2 electroreduction to formate.","Chemical science","2023","14","25","6860","6866","10.1039/d3sc01876h","","x-ray","1.54184","CuKα","","0.0664","0.0612","","","0.1756","0.1804","","","","","","1.025","","","","has coordinates,has disorder","284898","2023-07-05","09:44:38","" "1569258","8.0518","0.0002","17.65","0.0004","26.8891","0.0006","90","","90","","90","","3821.32","0.15","150","0.1","150","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H20 F N3 O S -","- C21 H20 F N3 O S -","- C168 H160 F8 N24 O8 S8 -","8","1","","Zhang, Wen-Hui; Chen, Zi-Yue; Liu, Ren-Ming; Liu, Xiong-Wei; Pan, Bo-Wen; Zhou, Jian; Zhou, Ying; Tian, You-Ping; Liu, Xiong-Li","Trimethylindolenines as C–N synthons for the assembly of spiro[oxindole-thioxoimidazolidine-indoline] hybrids in formal [3+2] cycloadditions","New Journal of Chemistry","2023","47","26","12296","12303","10.1039/D3NJ00901G","","x-ray","1.54178","CuKα","","0.0542","0.0512","","","0.1384","0.1418","","","","","","1.036","","","","has coordinates","284941","2023-07-05","10:34:47","" "1569259","10.8353","0.0002","13.3587","0.0002","30.3697","0.0004","90","","91.838","0.001","90","","4393.62","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-5-(4-Methoxyphenyl)-N'-(2-oxoindolin-3-ylidene)-1-phenyl-1H-pyrazole-3-carbohydrazide","","- C25 H19 N5 O3 -","- C25 H19 N5 O3 -","- C200 H152 N40 O24 -","8","2","HB4430","Abdel-Wahab, Bakr F.; Farahat, Abdelbasset A.; Bekheit, Mohamed S.; Yousif, Emad; Kariuki, Benson M.; El-Hiti, Gamal A.","(E)-5-(4-Methoxyphenyl)-N′-(2-oxoindolin-3-ylidene)-1-phenyl-1H-pyrazole-3-carbohydrazide","IUCrData","2023","8","5","","","10.1107/S2414314623004558","","","1.54184","CuKα","","0.0517","0.0415","","","0.112","0.1222","","","","","","1.021","","","","has coordinates,has disorder","284118","2023-06-01","01:55:49","" "1569260","10.7816","0.0003","16.045","0.0005","21.2485","0.0007","90","","100.265","0.003","90","","3617","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 Cl5 N O Ru -","- C36 H46 Cl5 N O Ru -","- C144 H184 Cl20 N4 O4 Ru4 -","4","1","","Sytniczuk, Adrian; Struzik, Filip; Purohit, Vishal; Grela, Karol; Kajetanowicz, Anna","Aza-Claisen rearrangement as a key step in synthesis of specialised anilines used in the production of efficient ethenolysis catalysts","Catalysis Science & Technology","2023","13","12","3682","3688","10.1039/D3CY00395G","","x-ray","0.71073","MoKα","","0.037","0.03","","","0.0688","0.0736","","","","","","1.058","","","","has coordinates","284831","2023-07-05","08:29:43","" "1569261","10.7492","0.0009","21.4852","0.0019","8.9772","0.0006","90","","94.765","0.003","90","","2066.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Br2 N3 O2 -","- C20 H21 Br2 N3 O2 -","- C80 H84 Br8 N12 O8 -","4","1","","Zhang, Xiao; Bai, Fan; Li, Miaomiao; Ru, Huihui; Wang, Lanzhi","NiFe2O4@SiO2@PrNH2–DPA–CeCl3: a cerium-based magnetic nano dual-acid catalyst with high efficacy and recyclability for domino sequential synthesis of lactam ring-fused 1,5-benzodiazepines","Catalysis Science & Technology","2023","13","13","3987","3999","10.1039/D2CY01778D","","","0.71073","MoKα","","0.1239","0.0675","","","0.1806","0.2001","","","","","","1.056","","","","has coordinates","285460","2023-08-05","08:33:40","" "1569262","12.0079","0.0009","12.4717","0.001","12.8977","0.0005","80.54","0.005","69.855","0.005","69.795","0.007","1699.5","0.2","300","0.2","300","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C68 H56 Fe2 I4 N10 O14 -","2","1","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0579","0.0544","","","0.1592","0.1612","","","","","","1.064","","","","has coordinates","286056","2023-09-05","19:16:53","" "1569263","12.7594","0.0001","13.8795","0.0002","20.0074","0.0003","91.925","0.001","107.483","0.001","99.844","0.001","3316.13","0.08","150","0.5","150","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C136 H112 Fe4 I8 N20 O28 -","4","2","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0603","0.0579","","","0.1419","0.1447","","","","","","1.035","","","","has coordinates","286056","2023-09-05","19:16:54","" "1569264","11.96519","0.00017","12.45379","0.00018","12.83894","0.00017","80.742","0.0011","69.6815","0.0013","69.7944","0.0013","1681.88","0.04","240","0.1","240","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C68 H56 Fe2 I4 N10 O14 -","2","1","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0482","0.0428","","","0.1171","0.1207","","","","","","1.1","","","","has coordinates","286056","2023-09-05","19:16:54","" "1569265","12.75426","0.00007","13.88144","0.00008","20.01371","0.00009","92.0011","0.0004","107.527","0.0005","99.7927","0.0005","3315.63","0.03","149.7","0.6","149.7","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C136 H112 Fe4 I8 N20 O28 -","4","2","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0396","0.0368","","","0.1008","0.1026","","","","","","1.039","","","","has coordinates","286056","2023-09-05","19:16:54","" "1569266","12.73249","0.00018","13.82045","0.00016","20","0.0002","91.9059","0.0009","107.561","0.0012","99.86","0.0011","3292.26","0.07","100","0.5","100","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C136 H112 Fe4 I8 N20 O28 -","4","2","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0715","0.0675","","","0.1757","0.1815","","","","","","1.013","","","","has coordinates","286056","2023-09-05","19:16:54","" "1569267","11.929","0.0005","12.4586","0.0004","12.8272","0.0005","80.346","0.003","69.77","0.003","69.483","0.003","1672.95","0.12","240","0.5","240","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C68 H56 Fe2 I4 N10 O14 -","2","1","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0757","0.0712","","","0.2064","0.2108","","","","","","1.105","","","","has coordinates","286056","2023-09-05","19:16:54","" "1569268","12.0082","0.0003","12.4839","0.0003","12.9087","0.0002","80.4846","0.0018","69.833","0.0019","69.77","0.002","1702.1","0.07","300","0.5","300","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C32 H20 Fe I2 N4 O2 -","- C64 H40 Fe2 I4 N8 O4 -","2","1","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0706","0.0601","","","0.1673","0.1902","","","","","","1.098","","","","has coordinates","286056","2023-09-05","19:16:54","" "1569269","11.9612","0.0005","12.2958","0.0004","12.6524","0.0004","82.206","0.003","69.547","0.003","69.329","0.003","1631.11","0.11","10","","10","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C68 H56 Fe2 I4 N10 O14 -","2","1","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","0.71073","MoKα","","0.0617","0.0401","","","0.0772","0.0856","","","","","","1.03","","","","has coordinates,has disorder","286056","2023-09-05","19:16:54","" "1569270","12.7132","0.0002","13.7693","0.0002","19.9776","0.0003","91.945","0.001","107.644","0.001","100.019","0.001","3267.76","0.09","10","","10","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C136 H112 Fe4 I8 N20 O28 -","4","2","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","0.71073","MoKα","","0.0355","0.0295","","","0.0701","0.0728","","","","","","1.047","","","","has coordinates,has disorder","286056","2023-09-05","19:16:54","" "1569271","11.8742","0.0004","12.3742","0.0003","12.7752","0.0003","80.502","0.002","69.212","0.003","68.99","0.003","1636.7","0.09","10","","10","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C68 H56 Fe2 I4 N10 O14 -","2","1","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","0.71073","MoKα","","0.0451","0.0315","","","0.0623","0.067","","","","","","1.043","","","","has coordinates,has disorder","286056","2023-09-05","19:16:54","" "1569272","10.4984","0.0006","13.6723","0.0008","12.6001","0.0008","90","","108.468","0.007","90","","1715.44","0.19","298","","289","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Singh, Bara; Ansari, Arshad J.; Malik, Nirmal; Ramasastry, S. S. V.","An interrupted Corey-Chaykovsky reaction of designed azaarenium salts: synthesis of complex polycyclic spiro- and fused cyclopropanoids.","Chemical science","2023","14","25","6963","6969","10.1039/d3sc01578e","","x-ray","0.71073","MoKα","","0.1075","0.0623","","","0.1825","0.2261","","","","","","1.143","","","","has coordinates","284901","2023-07-05","09:46:21","" "1569273","8.2759","0.0004","18.6849","0.0008","11.6613","0.0006","90","","106.981","0.005","90","","1724.62","0.15","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Singh, Bara; Ansari, Arshad J.; Malik, Nirmal; Ramasastry, S. S. V.","An interrupted Corey-Chaykovsky reaction of designed azaarenium salts: synthesis of complex polycyclic spiro- and fused cyclopropanoids.","Chemical science","2023","14","25","6963","6969","10.1039/d3sc01578e","","x-ray","0.71073","MoKα","","0.0778","0.0577","","","0.1745","0.1994","","","","","","1.2112","","","","has coordinates","284901","2023-07-05","09:46:21","" "1569274","9.0157","0.0003","11.1293","0.0004","11.8264","0.0003","88.918","0.003","87.476","0.003","74.544","0.003","1142.59","0.07","293","2","293","2","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C28 H27 N O2 S -","- C28 H27 N O2 S -","- C56 H54 N2 O4 S2 -","2","1","","Singh, Bara; Ansari, Arshad J.; Malik, Nirmal; Ramasastry, S. S. V.","An interrupted Corey-Chaykovsky reaction of designed azaarenium salts: synthesis of complex polycyclic spiro- and fused cyclopropanoids.","Chemical science","2023","14","25","6963","6969","10.1039/d3sc01578e","","x-ray","0.71073","MoKα","","0.0743","0.0502","","","0.1363","0.149","","","","","","1.12","","","","has coordinates","284901","2023-07-05","09:46:21","" "1569275","7.3487","0.0001","7.3487","0.0001","4.7247","0.0001","90","","90","","90","","255.15","0.007","290.44","0.1","290.44","0.1","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- B2 Cd Ga O7 Tb -","- B2 Cd Ga O7 Tb -","- B4 Cd2 Ga2 O14 Tb2 -","2","0.25","","Chen, Xuean; Zhang, Jinyuan; Xiao, Weiqiang; Song, Xiaoyan","A new melilite-type rare-earth borate CdTbGaB2O7 and multicolor tunable emission in the CdTb1−xSmxGaB2O7 (0 ≤ x ≤ 0.2) phosphors","RSC Advances","2023","13","24","16272","16284","10.1039/D3RA03002D","","x-ray","0.71073","MoKα","","0.0236","0.0221","","","0.0443","0.0449","","","","","","1.092","","","","has coordinates","284346","2023-06-05","05:02:38","" "1569276","17.9156","0.0011","8.6942","0.0004","18.83","0.0014","90","","117.921","0.008","90","","2591.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H60 Ag2 N6 O14 -","- C48 H60 Ag2 N6 O14 -","- C96 H120 Ag4 N12 O28 -","2","0.5","","Kurpik, Gracjan; Walczak, Anna; Markiewicz, Grzegorz; Harrowfield, Jack; Stefankiewicz, Artur R.","Enhanced catalytic performance derived from coordination-driven structural switching between homometallic complexes and heterometallic polymeric materials.","Nanoscale","2023","15","21","9543","9550","10.1039/d3nr01298k","","","0.71073","MoKα","","0.07","0.0443","","","0.0899","0.1012","","","","","","1.014","","","","has coordinates,has disorder","284158","2023-06-04","13:11:57","" "1569277","6.0996","0.0004","9.0669","0.0008","13.1358","0.0007","92.931","0.003","92.212","0.005","91.885","0.006","724.53","0.09","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H10 Br4 N4 Pb -","- C4 H10 Br4 N4 Pb -","- C8 H20 Br8 N8 Pb2 -","2","1","","García-Espejo, Gonzalo; Konidaris, Konstantis F.; Guagliardi, Antonietta; Masciocchi, Norberto","Using Imidazolium in the Construction of Hybrid 2D and 3D Lead Bromide Pseudoperovskites","Chemistry","2023","5","2","1329","1343","10.3390/chemistry5020090","powder diffraction","","1.5418","CuKα","","","","","","","","","0.04","8.2","","","","","","","has coordinates","284350","2023-06-05","11:35:26","" "1569278","9.0885","0.0001","9.0885","0.0001","13.8787","0.0001","90","","90","","120","","992.805","0.017","293","","293","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C4 H11 Br6 N3 Pb2 -","- C3 H10.5 Br6 N3.856 Pb2 -","- C6 H21 Br12 N7.712 Pb4 -","2","0.0833333","","García-Espejo, Gonzalo; Konidaris, Konstantis F.; Guagliardi, Antonietta; Masciocchi, Norberto","Using Imidazolium in the Construction of Hybrid 2D and 3D Lead Bromide Pseudoperovskites","Chemistry","2023","5","2","1329","1343","10.3390/chemistry5020090","powder diffraction","","1.5418","CuKα","","","","","","","","","0.089","12.7","","","","","","","has coordinates","284351","2023-06-05","11:36:19","" "1569279","16.4311","0.001","8.03","0.0003","11.2057","0.0007","90","","104.651","0.002","90","","1430.43","0.14","296.15","","296.15","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 -","- C42 H28 -","- C84 H56 -","2","0.5","","Sonina, Alina A.; Cheshkina, Darya S.; Kazantsev, Maxim S.","Additive-Assisted Crystallization of 9,10-Diphenylanthracene","Crystals","2023","13","6","861","","10.3390/cryst13060861","","","0.71073","MoKα","","0.083","0.0506","","","0.1181","0.1434","","","","","","1.025","","","","has coordinates","284352","2023-06-05","12:26:09","" "1569280","16.1779","0.0004","3.8873","0.0001","16.1804","0.0004","90","","119.312","0.003","90","","887.28","0.05","100","0.1","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 Br2 N4 S2 -","- C6 Br2 N4 S2 -","- C24 Br8 N16 S8 -","4","1","","Chmovzh, Timofey N.; Alekhina, Daria A.; Kudryashev, Timofey A.; Aysin, Rinat R.; Korlyukov, Alexander A.; Rakitin, Oleg A.","Benzo[1,2-d:4,5-d']bis([1,2,3]thiadiazole) and Its Bromo Derivatives: Molecular Structure and Reactivity.","International journal of molecular sciences","2023","24","10","8835","","10.3390/ijms24108835","","","0.71073","MoKα","","0.0392","0.039","","","0.1055","0.1057","","","","","","1.061","","","","has coordinates","284355","2023-06-05","20:53:04","" "1569281","3.738","0.003","9.027","0.005","10.156","0.009","82.88","0.04","87.48","0.04","83.96","0.04","338","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H2 N4 S2 -","- C6 H2 N4 S2 -","- C12 H4 N8 S4 -","2","1","","Chmovzh, Timofey N.; Alekhina, Daria A.; Kudryashev, Timofey A.; Aysin, Rinat R.; Korlyukov, Alexander A.; Rakitin, Oleg A.","Benzo[1,2-d:4,5-d']bis([1,2,3]thiadiazole) and Its Bromo Derivatives: Molecular Structure and Reactivity.","International journal of molecular sciences","2023","24","10","8835","","10.3390/ijms24108835","","x-ray","0.71073","MoKα","","0.0392","0.0361","","","0.086","0.0881","","","","","","1.092","","","","has coordinates","284356","2023-06-05","20:53:28","" "1569282","12.5976","0.0003","9.2941","0.0002","6.9912","0.0002","90","","103.562","0.003","90","","795.73","0.04","99.97","0.18","99.97","0.18","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H Br N4 S2 -","- C6 H Br N4 S2 -","- C24 H4 Br4 N16 S8 -","4","1","","Chmovzh, Timofey N.; Alekhina, Daria A.; Kudryashev, Timofey A.; Aysin, Rinat R.; Korlyukov, Alexander A.; Rakitin, Oleg A.","Benzo[1,2-d:4,5-d']bis([1,2,3]thiadiazole) and Its Bromo Derivatives: Molecular Structure and Reactivity.","International journal of molecular sciences","2023","24","10","8835","","10.3390/ijms24108835","","x-ray","0.71073","MoKα","","0.0361","0.0286","","","0.0653","0.0675","","","","","","1.038","","","","has coordinates","284357","2023-06-05","20:53:51","" "1569283","9.0126","0.0003","30.5182","0.0012","12.6586","0.0005","90","","103.306","0.001","90","","3388.3","0.2","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","1","","- C87 H68 N5 O12 -","- C88 H76 N4 O12 -","- C176 H152 N8 O24 -","2","1","","Zhang, Xiao-Wen; Chen, Xu-Lin; Lu, Can-Zhong","High-Contrast Visualization Chemiluminescence Based on AIE-Active and Base-Sensitive Emitters.","Molecules (Basel, Switzerland)","2023","28","9","3976","","10.3390/molecules28093976","","","0.71073","MoKα","","0.1787","0.0868","","","0.1931","0.2405","","","","","","1.033","","","","has coordinates","284359","2023-06-06","02:20:41","" "1569284","22.252","0.0011","22.252","0.0011","8.1795","0.0005","90","","90","","90","","4050.1","0.4","200","","200","","","","","","","","","4","P -4","P -4","81","","","","- C50 H38 N2 O6 -","- C50 H38 N2 O6 -","- C200 H152 N8 O24 -","4","1","","Zhang, Xiao-Wen; Chen, Xu-Lin; Lu, Can-Zhong","High-Contrast Visualization Chemiluminescence Based on AIE-Active and Base-Sensitive Emitters.","Molecules (Basel, Switzerland)","2023","28","9","3976","","10.3390/molecules28093976","","","0.71073","MoKα","","0.1339","0.0566","","","0.1214","0.157","","","","","","1.008","","","","has coordinates","284360","2023-06-06","02:21:13","" "1569285","7.6363","0.0016","11.878","0.003","13.501","0.003","107.789","0.006","103.545","0.006","102.577","0.006","1076.8","0.4","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H26 O7 -","- C22 H26 O7 -","- C44 H52 O14 -","2","1","","Yu, Xiang; Xi, Yinkai; Sui, Yi; Liu, Yang; Chen, Guifen; Zhang, Minjie; Zhang, Yan; Luo, Guoyong; Long, Yi; Yang, Wude","Hydroxide-Mediated SNAr Rearrangement for Synthesis of Novel Depside Derivatives Containing Diaryl Ether Skeleton as Antitumor Agents","Molecules","2023","28","11","4303","","10.3390/molecules28114303","","","0.71073","MoKα","","0.1641","0.0789","","","0.2165","0.2722","","","","","","1.027","","","","has coordinates,has disorder","284361","2023-06-06","02:21:57","" "1569286","12.3291","0.0011","7.9656","0.0008","25.755","0.002","90","","100.544","0.003","90","","2486.7","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 O8 S -","- C24 H32 O8 S -","- C96 H128 O32 S4 -","4","1","","Yu, Xiang; Xi, Yinkai; Sui, Yi; Liu, Yang; Chen, Guifen; Zhang, Minjie; Zhang, Yan; Luo, Guoyong; Long, Yi; Yang, Wude","Hydroxide-Mediated SNAr Rearrangement for Synthesis of Novel Depside Derivatives Containing Diaryl Ether Skeleton as Antitumor Agents","Molecules","2023","28","11","4303","","10.3390/molecules28114303","","","0.71073","MoKα","","0.0986","0.0601","","","0.1503","0.1726","","","","","","1.03","","","","has coordinates,has disorder","284362","2023-06-06","02:22:22","" "1569288","5.8966","0.0005","14.2652","0.0011","7.4117","0.0006","90","","98.338","0.002","90","","616.85","0.09","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H11 N O4 -","- C4 H11 N O4 -","- C16 H44 N4 O16 -","4","2","","Xu, Xuexia; Yang, Qin; Wang, Lanteng; Zheng, Jie; Gu, Yang; Xing, Xiwen; Zhou, Jiahai","Enzymatic hydrolysis of l-azetidine-2-carboxylate ring opening","Catalysis Science & Technology","2023","13","13","3953","3962","10.1039/D3CY00366C","","","1.54178","CuKα","","0.0338","0.0337","","","0.0841","0.0842","","","","","","1.116","","","","has coordinates","284826","2023-07-05","08:24:39","" "1569289","12.4705","0.0002","14.3086","0.0003","17.1528","0.0003","103.775","0.002","95.912","0.002","101.539","0.002","2875.84","0.1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H70 Au2 N6 O -","- C62 H62 Au2 N6 -","- C124 H124 Au4 N12 -","2","1","","Ma, Xinyuan; Voloshkin, Vladislav A.; Martynova, Ekaterina A.; Beliš, Marek; Peng, Min; Villa, Marco; Tzouras, Nikolaos V.; Janssens, Wim; Van Hecke, Kristof; Ceroni, Paola; Nolan, Steven P.","Novel dinuclear NHC–gold(i)-amido complexes and their application in energy transfer photocatalysis","Catalysis Science & Technology","2023","13","14","4168","4175","10.1039/D3CY00716B","","x-ray","1.54184","CuKα","","0.0574","0.0391","","","0.0823","0.0892","","","","","","1.008","","","","has coordinates","285461","2023-08-05","08:34:02","" "1569290","27.2565","0.0003","17.0998","0.0002","52.008","0.0006","90","","101.377","0.001","90","","23763.6","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","XM487-2","","- C56 H50 Au2 N6 -","- C56 H50 Au2 N6 -","- C1120 H1000 Au40 N120 -","20","2.5","","Ma, Xinyuan; Voloshkin, Vladislav A.; Martynova, Ekaterina A.; Beliš, Marek; Peng, Min; Villa, Marco; Tzouras, Nikolaos V.; Janssens, Wim; Van Hecke, Kristof; Ceroni, Paola; Nolan, Steven P.","Novel dinuclear NHC–gold(i)-amido complexes and their application in energy transfer photocatalysis","Catalysis Science & Technology","2023","13","14","4168","4175","10.1039/D3CY00716B","","x-ray","0.71073","MoKα","","0.0842","0.0583","","","0.0932","0.1014","","","","","","1.031","","","","has coordinates","285461","2023-08-05","08:34:02","" "1569291","15.201","0.0018","9.7668","0.0012","13.4419","0.0016","90","","90","","90","","1995.7","0.4","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","dibutyldibut-3-enylammonium hexafluorophosphate","","- C16 H32 F6 N P -","- C16 H32 F6 N P -","- C64 H128 F24 N4 P4 -","4","0.5","","Killeen, Charles; Liu, Jie; Zijlstra, Harmen S.; Maass, Florian; Piers, James; Adams, Reid; Oliver, Allen; McIndoe, J. Scott","Competitive isomerization and catalyst decomposition during ring-closing metathesis","Catalysis Science & Technology","2023","13","13","4000","4008","10.1039/D3CY00065F","","","0.71073","MoKα","","0.1111","0.0867","","","0.2361","0.2583","","","","","","1.055","","","","has coordinates,has disorder","284825","2023-07-05","08:24:15","" "1569292","9.4663","0.0013","13.2301","0.0018","14.178","0.002","90","","93.998","0.002","90","","1771.3","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dibutyldiallylammonium hexafluorophosphate","","- C14 H28 F6 N P -","- C14 H28 F6 N P -","- C56 H112 F24 N4 P4 -","4","1","","Killeen, Charles; Liu, Jie; Zijlstra, Harmen S.; Maass, Florian; Piers, James; Adams, Reid; Oliver, Allen; McIndoe, J. Scott","Competitive isomerization and catalyst decomposition during ring-closing metathesis","Catalysis Science & Technology","2023","13","13","4000","4008","10.1039/D3CY00065F","","","0.71073","MoKα","","0.0417","0.0331","","","0.0844","0.089","","","","","","1.045","","","","has coordinates","284825","2023-07-05","08:24:16","" "1569293","17.6863","0.0014","18.9328","0.0015","20.2709","0.0017","114.66","0.004","97.896","0.004","108.962","0.003","5531.9","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C234 H232 B4 F16 N25 O17 Pt2 -","- C204 H192 N20 O12 Pt2 -","- C204 H192 N20 O12 Pt2 -","1","0.5","","Bobylev, Eduard O.; Knol, Renzo A.; Mathew, Simon; Poole, David A.; Kotsogianni, Ioli; Martin, Nathaniel I.; de Bruin, Bas; Kros, Alexander; Reek, Joost N. H.","In vivo biodistribution of kinetically stable Pt2L4 nanospheres that show anti-cancer activity","Chemical Science","2023","14","25","6943","6952","10.1039/D3SC01086D","","x-ray","0.71073","MoKα","","0.2012","0.1262","","","0.2622","0.3166","","","","","","1.121","","","","has coordinates","284561","2023-06-29","09:04:50","" "1569294","55.539","0.0014","8.6589","0.0003","32.5046","0.0008","90","","90.397","0.002","90","","15631.3","0.8","100","","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C155 H186 F36 N14 O7 Sb6 -","- C155 H186 F36 N14 O7 Sb6 -","- C620 H744 F144 N56 O28 Sb24 -","4","0.5","","Takase, Masayoshi; Takata, Toranosuke; Oki, Kosuke; Mori, Shigeki; Uno, Hidemitsu","Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene","Chemical Science","2023","14","25","7036","7043","10.1039/D2SC07037E","","","0.71073","MoKα","","0.1845","0.0896","","","0.195","0.2449","","","","","","1.027","","","","has coordinates,has disorder","284562","2023-06-29","09:06:52","" "1569295","19.1475","0.0005","13.0806","0.0003","28.6942","0.0007","90","","101.915","0.002","90","","7031.9","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H84 F11 N6 O3 Sb -","- C82 H84 F11 N6 O3 Sb -","- C328 H336 F44 N24 O12 Sb4 -","4","1","","Takase, Masayoshi; Takata, Toranosuke; Oki, Kosuke; Mori, Shigeki; Uno, Hidemitsu","Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene","Chemical Science","2023","14","25","7036","7043","10.1039/D2SC07037E","","","0.71073","MoKα","","0.1378","0.084","","","0.1938","0.2173","","","","","","1.091","","","","has coordinates,has disorder","284562","2023-06-29","09:06:57","" "1569296","43.9853","0.0006","47.129","0.0006","13.0964","0.0002","90","","90","","90","","27148.6","0.7","100","","100","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C72 H81 F6 N6 O Sb -","- C72 H81 F6 N6 O Sb -","- C1152 H1296 F96 N96 O16 Sb16 -","16","1","","Takase, Masayoshi; Takata, Toranosuke; Oki, Kosuke; Mori, Shigeki; Uno, Hidemitsu","Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene","Chemical Science","2023","14","25","7036","7043","10.1039/D2SC07037E","","","0.71073","MoKα","","0.0749","0.0489","","","0.0879","0.0948","","","","","","1.038","","","","has coordinates","284562","2023-06-29","09:06:58","" "1569297","15.9748","0.0007","12.9194","0.0004","34.5124","0.001","90","","101.007","0.004","90","","6991.8","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H80 Cl6 F6 N7 O Sb -","- C72.001 H80.001 Cl6.003 F6 N7 O Sb -","- C288.004 H320.004 Cl24.012 F24 N28 O4 Sb4 -","4","1","","Takase, Masayoshi; Takata, Toranosuke; Oki, Kosuke; Mori, Shigeki; Uno, Hidemitsu","Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene","Chemical Science","2023","14","25","7036","7043","10.1039/D2SC07037E","","x-ray","0.71073","MoKα","","0.2501","0.1194","","","0.2699","0.3281","","","","","","1.075","","","","has coordinates,has disorder","284562","2023-06-29","09:07:01","" "1569298","10.5933","0.0002","13.7861","0.0004","16.9187","0.0004","78.826","0.001","73.728","0.001","69.733","0.001","2212.12","0.09","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H63.61 Ce Cl N2 O2 -","- C50 H63.61 Ce Cl N2 O2 -","- C100 H127.22 Ce2 Cl2 N4 O4 -","2","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring η6-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","x-ray","0.71073","MoKα","","0.0477","0.035","","","0.0714","0.0783","","","","","","1.04","","","","has coordinates,has disorder","286035","2023-09-05","19:07:37","" "1569299","10.8086","0.0018","13.8161","0.0017","17.097","0.003","78.952","0.012","73.607","0.015","69.594","0.013","2283.3","0.7","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H54 Cl N2 Np O -","- C46 H54 Cl N2 Np O -","- C92 H108 Cl2 N4 Np2 O2 -","2","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring η6-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","x-ray","0.71073","MoKα","","0.1282","0.0722","","","0.1519","0.1782","","","","","","0.989","","","","has coordinates","286035","2023-09-05","19:07:37","" "1569300","13.8802","0.0007","15.5249","0.0008","22.0162","0.0012","90","","107.63","0.003","90","","4521.4","0.4","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H66 I N2 Np O -","- C51 H66 I N2 Np O -","- C204 H264 I4 N8 Np4 O4 -","4","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring η6-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","","0.71073","MoKα","","0.099","0.0612","","","0.1114","0.1245","","","","","","1.028","","","","has coordinates","286035","2023-09-05","19:07:37","" "1569301","17.9304","0.0014","12.006","0.0007","26.7063","0.0018","90","","107.882","0.008","90","","5471.4","0.7","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H75 Cl2 K N2 Np O6 -","- C54 H75 Cl2 K N2 Np O6 -","- C216 H300 Cl8 K4 N8 Np4 O24 -","4","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring η6-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","x-ray","0.71073","MoKα","","0.0732","0.0448","","","0.0796","0.0883","","","","","","1.002","","","","has coordinates","286035","2023-09-05","19:07:37","" "1569302","13.3428","0.0016","16.9863","0.0019","25.645","0.003","90","","91.263","0.004","90","","5810.9","1.2","100","2","100.02","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H65.73 Cl2 K N2 O2 U -","- C50 H65.727 Cl2 K N2 O2 U -","- C200 H262.908 Cl8 K4 N8 O8 U4 -","4","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring η6-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","","0.71073","MoKα","","0.0635","0.0474","","","0.0808","0.0856","","","","","","1.121","","","","has coordinates,has disorder","286035","2023-09-05","19:07:37","" "1569303","11.4528","0.0004","21.5419","0.0009","18.1661","0.0007","90","","98.817","0.002","90","","4428.9","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 Ce I N2 O2 -","- C50 H64 Ce I N2 O2 -","- C200 H256 Ce4 I4 N8 O8 -","4","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring η6-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","","0.71073","MoKα","","0.0445","0.0303","","","0.0704","0.0728","","","","","","1.097","","","","has coordinates","286035","2023-09-05","19:07:37","" "1569304","13.805","0.001","15.6334","0.0012","21.9877","0.0018","90","","108.057","0.003","90","","4511.6","0.6","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H62.67 I N2 O2 Pu -","- C50 H62.6666 I N2 O2 Pu -","- C200 H250.666 I4 N8 O8 Pu4 -","4","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring η6-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","","0.71073","MoKα","","0.047","0.0377","","","0.0944","0.0985","","","","","","1.046","","","","has coordinates,has disorder","286035","2023-09-05","19:07:37","" "1569305","13.7779","0.0008","15.6184","0.001","21.8752","0.0013","90","","107.897","0.001","90","","4479.5","0.5","100","2","100.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H62.4 I N2 O2 U -","- C50 H62.4 I N2 O2 U -","- C200 H249.6 I4 N8 O8 U4 -","4","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring η6-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","x-ray","0.71073","MoKα","","0.0184","0.0161","","","0.0353","0.0362","","","","","","1.039","","","","has coordinates,has disorder","286035","2023-09-05","19:07:37","" "1569306","13.3524","0.0004","16.9877","0.0005","25.6828","0.0008","90","","90.93","0.001","90","","5824.8","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C100 H131.24 Ce2 Cl4 K2 N4 O5 -","- C100 H131.24 Ce2 Cl4 K2 N4 O5 -","- C200 H262.48 Ce4 Cl8 K4 N8 O10 -","2","0.5","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring η6-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","","0.71073","MoKα","","0.0527","0.0417","","","0.093","0.1009","","","","","","1.085","","","","has coordinates,has disorder","286035","2023-09-05","19:07:37","" "1569307","8.6649","0.0008","8.8569","0.0008","9.8661","0.0009","84.893","0.003","88.222","0.003","84.477","0.003","750.47","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 I3 N -","- C11 H14 I3 N -","- C22 H28 I6 N2 -","2","1","","Meng, Zhe; Yan, Jun; Ning, Chao; Shi, Min; Wei, Yin","Construction of pyrroles, furans and thiophenes via intramolecular cascade desulfonylative/dehydrogenative cyclization of vinylidenecyclopropanes induced by NXS (X = I or Br).","Chemical science","2023","14","28","7648","7655","10.1039/d3sc01542d","","","0.71073","MoKα","","0.0873","0.0798","","","0.246","0.2527","","","","","","1.118","","","","has coordinates,has disorder","286032","2023-09-05","19:06:36","" "1569308","11.555","0.0004","8.3352","0.0002","20.4748","0.0006","90","","105.348","0.001","90","","1901.67","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 I2 N2 O3 S -","- C16 H18 I2 N2 O3 S -","- C64 H72 I8 N8 O12 S4 -","4","1","","Meng, Zhe; Yan, Jun; Ning, Chao; Shi, Min; Wei, Yin","Construction of pyrroles, furans and thiophenes via intramolecular cascade desulfonylative/dehydrogenative cyclization of vinylidenecyclopropanes induced by NXS (X = I or Br).","Chemical science","2023","14","28","7648","7655","10.1039/d3sc01542d","","","0.71073","MoKα","","0.0277","0.0245","","","0.0571","0.0587","","","","","","1.071","","","","has coordinates","286032","2023-09-05","19:06:37","" "1569309","13.844","0.003","14.078","0.003","20.216","0.005","83.878","0.014","87.451","0.014","75.021","0.014","3783.8","1.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","TPAPF6","","- C38.5 H37 F6 N6.5 O P -","- C41 H36.5 F6 N4 O P -","- C164 H146 F24 N16 O4 P4 -","4","2","","Zhang, Shasha; Yang, Wenfang; Lu, Xiao; Zhang, Xinyi; Pan, Zhichao; Qu, Da-Hui; Mei, Dong; Mei, Ju; Tian, He","Near-infrared AIEgens with high singlet-oxygen yields for mitochondria-specific imaging and antitumor photodynamic therapy","Chemical Science","2023","14","25","7076","7085","10.1039/D3SC00588G","","","1.54178","CuKα","","0.1288","0.0999","","","0.2792","0.3054","","","","","","0.996","","","","has coordinates,has disorder","284566","2023-06-29","09:13:21","" "1569310","20.9301","0.0008","20.9301","0.0008","37.6852","0.0017","90","","90","","120","","14297","1","219.9","0.2","219.9","0.2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C167 H113 Cl15 Mg3 N18 Sb2 -","- C167 H113 Cl15 Mg3 N18 Sb2 -","- C501 H339 Cl45 Mg9 N54 Sb6 -","3","0.166667","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0968","0.0583","","","0.1567","0.1727","","","","","","0.975","","","","has coordinates","284567","2023-06-29","09:16:22","" "1569311","20.9744","0.0006","20.9744","0.0006","37.5959","0.0013","90","","90","","120","","14323.5","0.8","219.9","0.4","219.9","0.4","","","","","","","","6","R -3 :H","-R 3","148","","","","- C164 H110 Bi2 Cl6 Mg3 N18 -","- C164 H110 Bi2 Cl6 Mg3 N18 -","- C492 H330 Bi6 Cl18 Mg9 N54 -","3","0.166667","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","x-ray","0.71073","MoKα","","0.045","0.0338","","","0.0799","0.0837","","","","","","1.006","","","","has coordinates","284567","2023-06-29","09:16:23","" "1569312","13.4042","0.0003","21.6415","0.0007","24.8568","0.0008","92.283","0.003","99.219","0.002","94.883","0.002","7081.2","0.4","179.9","0.7","179.9","0.7","","","","","","","","6","P -1","-P 1","2","","","","- C149 H98 Cl6 N15 Sb Zn3 -","- C149 H98 Cl6 N15 Sb Zn3 -","- C298 H196 Cl12 N30 Sb2 Zn6 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0864","0.0589","","","0.1506","0.1705","","","","","","1.033","","","","has coordinates","284567","2023-06-29","09:16:23","" "1569313","11.5963","0.0003","21.0912","0.0005","28.0154","0.0006","86.6057","0.0018","79.266","0.002","77.064","0.002","6560.2","0.3","180.1","0.2","180.1","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C148 H97 Cl3 N15 Sb Zn3 -","- C148 H97 Cl3 N15 Sb Zn3 -","- C296 H194 Cl6 N30 Sb2 Zn6 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0704","0.053","","","0.1297","0.1409","","","","","","1.023","","","","has coordinates","284567","2023-06-29","09:16:23","" "1569314","11.5622","0.0005","21.0461","0.0008","27.9789","0.0009","86.862","0.003","79.147","0.003","76.921","0.003","6512.6","0.4","180","2","180.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C153 H110 Bi N15 Zn3 -","- C153 H110 Bi N15 Zn3 -","- C306 H220 Bi2 N30 Zn6 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.1171","0.0598","","","0.1096","0.129","","","","","","0.934","","","","has coordinates","284567","2023-06-29","09:16:23","" "1569315","9.4717","0.0014","15.5617","0.0007","14.976","0.002","90","","134.03","0.03","90","","1587.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Bi Cl2 N3 -","- C15 H12 Bi Cl2 N3 -","- C60 H48 Bi4 Cl8 N12 -","4","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","x-ray","0.71073","MoKα","","0.05","0.0322","","","0.058","0.0659","","","","","","1.013","","","","has coordinates","284567","2023-06-29","09:16:23","" "1569316","9.8444","0.0006","7.4353","0.0004","14.6876","0.0008","90","","106.385","0.006","90","","1031.41","0.11","293","","293","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C20 H17 Cl2 N4 Sb -","- C20 H17 Cl2 N4 Sb -","- C40 H34 Cl4 N8 Sb2 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0483","0.0376","","","0.0685","0.0773","","","","","","1.065","","","","has coordinates","284567","2023-06-29","09:16:23","" "1569317","13.3955","0.0003","21.5477","0.0007","25.0484","0.0008","92.054","0.003","98.955","0.002","94.962","0.002","7106.2","0.4","180","0.14","180","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C150 H98 Bi Cl9 N15 Zn3 -","- C150 H98 Bi Cl9 N15 Zn3 -","- C300 H196 Bi2 Cl18 N30 Zn6 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.091","0.0566","","","0.1448","0.1588","","","","","","1.058","","","","has coordinates","284567","2023-06-29","09:16:23","" "1569318","11.692","0.0004","13.9994","0.0005","19.8328","0.0005","78.498","0.003","76.874","0.003","70.708","0.003","2956.47","0.18","293","","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H40 Cl2 Mg N7 Sb -","- C59 H40 Cl2 Mg N7 Sb -","- C118 H80 Cl4 Mg2 N14 Sb2 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0528","0.0369","","","0.0786","0.0864","","","","","","1.03","","","","has coordinates","284567","2023-06-29","09:16:23","" "1569319","20.6368","0.0012","20.6368","0.0012","37.744","0.002","90","","90","","120","","13920.8","1.4","219.9","0.6","219.9","0.6","","","","","","","","5","R -3 :H","-R 3","148","","","","- C162 H108 Mg3 N18 P2 -","- C162 H108 Mg3 N18 P2 -","- C486 H324 Mg9 N54 P6 -","3","0.166667","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.1173","0.0684","","","0.1786","0.2074","","","","","","0.948","","","","has coordinates","284567","2023-06-29","09:16:23","" "1569320","13.5059","0.0004","16.2547","0.0004","30.3809","0.0008","95.529","0.002","93.028","0.002","90.23","0.002","6629.1","0.3","180","0.14","180","","","","","","","","","6","P -1","-P 1","2","","","","- C150 H99 Cl11 N15 Sb Zn3 -","- C150 H99 Cl11 N15 Sb Zn3 -","- C300 H198 Cl22 N30 Sb2 Zn6 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0799","0.0547","","","0.1326","0.1501","","","","","","1.028","","","","has coordinates","284567","2023-06-29","09:16:23","" "1569321","14.4466","0.0003","18.0374","0.0003","17.9239","0.0003","90","","98.983","0.001","90","","4613.31","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Br2 N2 O2 -","- C36 H28 Br2 N2 O2 -","- C216 H168 Br12 N12 O12 -","6","1.5","","Yin, Xiuping; Li, Xinxing; Li, Xuyi; Biczysko, Malgorzata; Zhu, Shourong; Xu, Jiaqiang; Bai, Yue-Ling","Isomerization-induced fluorescence enhancement of two new viologen derivatives: mechanism insight and DFT calculations","Chemical Science","2023","14","25","7016","7025","10.1039/D3SC02051G","","","1.34139","GaKα","","0.0836","0.0664","","","0.1779","0.1937","","","","","","1.051","","","","has coordinates","284568","2023-06-29","09:18:03","" "1569322","26.4051","0.0017","11.762","0.0006","28.6519","0.0012","90","","110.083","0.002","90","","8357.5","0.8","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cl2 N2 O2 -","- C28 H24 Cl2 N2 O2 -","- C336 H288 Cl24 N24 O24 -","12","3","","Yin, Xiuping; Li, Xinxing; Li, Xuyi; Biczysko, Malgorzata; Zhu, Shourong; Xu, Jiaqiang; Bai, Yue-Ling","Isomerization-induced fluorescence enhancement of two new viologen derivatives: mechanism insight and DFT calculations","Chemical Science","2023","14","25","7016","7025","10.1039/D3SC02051G","","","1.34139","GaKα","","0.1356","0.0937","","","0.2294","0.2534","","","","","","1.07","","","","has coordinates,has disorder","284568","2023-06-29","09:18:04","" "1569323","50.1","0.2","6.67","0.02","12.67","0.01","90","","98.52","0.06","90","","4187","2","103","2","103","2","","","","","","","","3","C 1 2 1","C 2y","5","","Sartorypyrone F","","- C26 H38 O4 -","- C26 H38 O4 -","- C208 H304 O32 -","8","2","","Lin, Shu-Yi; Oakley, C. Elizabeth; Jenkinson, Cory B.; Chiang, Yi-Ming; Lee, Ching-Kuo; Jones, Christopher G.; Seidler, Paul M.; Nelson, Hosea M.; Todd, Richard B.; Wang, Clay C. C.; Oakley, Berl R.","A heterologous expression platform in Aspergillus nidulans for the elucidation of cryptic secondary metabolism biosynthetic gene clusters: discovery of the Aspergillus fumigatus sartorypyrone biosynthetic pathway.","Chemical science","2023","14","40","11022","11032","10.1039/d3sc02226a","","","0.02508","200KeVelectrons","","0.1645","0.1502","","","0.3261","0.3363","","","","","","1.285","","","","has coordinates","287319","2023-11-06","07:01:39","" "1569324","8.0025","0.0009","8.9517","0.0008","9.587","0.001","68.099","0.004","79.046","0.004","82.806","0.003","624.48","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 F2 N2 Sb -","- C13 H15 F2 N2 Sb -","- C26 H30 F4 N4 Sb2 -","2","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0225","0.0194","","","0.0446","0.046","","","","","","1.081","","","","has coordinates","284570","2023-06-29","09:20:56","" "1569325","17.2704","0.0008","12.0396","0.0006","7.6022","0.0003","90","","108.934","0.002","90","","1495.19","0.12","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H15 Br2 N2 Sb -","- C13 H15 Br2 N2 Sb -","- C52 H60 Br8 N8 Sb4 -","4","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0141","0.0137","","","0.033","0.0332","","","","","","1.033","","","","has coordinates","284570","2023-06-29","09:21:01","" "1569326","8.7403","0.0009","9.2435","0.0006","22.984","0.003","90","","95.441","0.004","90","","1848.5","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Bi2 Cl4 N4 O2 -","- C34 H46 Bi2 Cl4 N4 O2 -","- C68 H92 Bi4 Cl8 N8 O4 -","2","0.5","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0262","0.0187","","","0.0324","0.0348","","","","","","1.044","","","","has coordinates","284570","2023-06-29","09:21:01","" "1569327","12.4279","0.0006","7.8441","0.0004","19.0889","0.001","90","","96.771","0.002","90","","1847.92","0.16","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl2 N2 Sb -","- C19 H19 Cl2 N2 Sb -","- C76 H76 Cl8 N8 Sb4 -","4","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0288","0.0224","","","0.0461","0.0487","","","","","","1.063","","","","has coordinates","284570","2023-06-29","09:21:01","" "1569328","7.7393","0.0007","15.609","0.002","36.44","0.005","90","","93.984","0.003","90","","4391.4","0.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 Bi Cl2 N2 -","- C22 H25 Bi Cl2 N2 -","- C176 H200 Bi8 Cl16 N16 -","8","2","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0519","0.0464","","","0.1047","0.109","","","","","","1.064","","","","has coordinates","284570","2023-06-29","09:21:01","" "1569329","10.7292","0.0005","9.9358","0.0006","13.955","0.0007","90","","91.646","0.002","90","","1487.03","0.14","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl2 N2 Sb -","- C13 H15 Cl2 N2 Sb -","- C52 H60 Cl8 N8 Sb4 -","4","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0176","0.0151","","","0.0368","0.0379","","","","","","1.094","","","","has coordinates,has disorder","284570","2023-06-29","09:21:02","" "1569330","22.9835","0.0006","22.9835","0.0006","14.1686","0.0004","90","","90","","90","","7484.4","0.3","100","","100","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C19 H19 Bi Cl2 N2 -","- C19 H19 Bi Cl2 N2 -","- C304 H304 Bi16 Cl32 N32 -","16","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0221","0.0187","","","0.0438","0.0452","","","","","","1.049","","","","has coordinates","284570","2023-06-29","09:21:02","" "1569331","7.7567","0.0009","11.3335","0.0015","13.6924","0.0017","65.998","0.003","80.92","0.003","76.814","0.003","1067.8","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 Cl2 N2 Sb -","- C22 H25 Cl2 N2 Sb -","- C44 H50 Cl4 N4 Sb2 -","2","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0196","0.0178","","","0.0446","0.0455","","","","","","1.078","","","","has coordinates","284570","2023-06-29","09:21:02","" "1569332","12.379","0.004","12.587","0.004","18.983","0.006","79.607","0.007","75.288","0.007","80.032","0.007","2788.6","1.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H36 B Cl F24 N2 Sb -","- C54 H36 B Cl F24 N2 Sb -","- C108 H72 B2 Cl2 F48 N4 Sb2 -","2","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0569","0.0445","","","0.1123","0.1195","","","","","","1.068","","","","has coordinates,has disorder","284570","2023-06-29","09:21:02","" "1569333","11.5264","0.0008","12.3665","0.0009","14.7242","0.0008","88.001","0.002","88.826","0.002","64.702","0.002","1896.3","0.2","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 Cl4 N2 O6 -","- C42 H34 Cl4 N2 O6 -","- C84 H68 Cl8 N4 O12 -","2","1","","Sneddon, Dorian S.; Hoye, Thomas R.","The contrasting reactivity of trans- vs. cis-azobenzenes (ArN[double bond, length as m-dash]NAr) with benzynes.","Chemical science","2023","14","24","6730","6737","10.1039/d3sc02253f","","","0.71073","MoKα","","0.057","0.045","","","0.1141","0.1234","","","","","","1.033","","","","has coordinates","284571","2023-06-29","09:22:23","" "1569334","11.824","0.004","19.935","0.006","24.553","0.008","105.035","0.007","102.319","0.007","97.01","0.008","5363","3","130","2","130","2","","","","","","","","5","P -1","-P 1","2","23003z","","","- C126 H123 N9 O12 Si4 -","- C126 H123 N9 O12 Si4 -","- C252 H246 N18 O24 Si8 -","2","1","","Sneddon, Dorian S.; Hoye, Thomas R.","The contrasting reactivity of trans- vs. cis-azobenzenes (ArN[double bond, length as m-dash]NAr) with benzynes.","Chemical science","2023","14","24","6730","6737","10.1039/d3sc02253f","","","0.71073","MoKα","","0.1737","0.0931","","","0.2098","0.2564","","","","","","1.023","","","","has coordinates","284571","2023-06-29","09:22:23","" "1569335","8.2186","0.0009","10.7453","0.0013","12.237","0.0014","115.168","0.003","93.669","0.004","93.606","0.004","971.2","0.2","213","2","213","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H22 O4 -","- C25 H22 O4 -","- C50 H44 O8 -","2","1","","Li, Can; Zhou, Zhengnan; Ma, Shengming","A Pd-catalyzed highly selective three-component protocol for trisubstituted allenes.","Chemical science","2023","14","28","7709","7715","10.1039/d3sc01849k","","","0.71073","MoKα","","0.0397","0.0361","","","0.0911","0.0943","","","","","","1.023","","","","has coordinates","286030","2023-09-05","19:05:54","" "1569336","10.0066","0.0005","34.6611","0.0004","13.2116","0.0007","90","","139.278","0.011","90","","2989.4","0.7","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 F10 N2 Ni -","- C13 H8 F10 N2 Ni -","- C104 H64 F80 N16 Ni8 -","8","2","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","0.71073","MoKα","","0.0606","0.0537","","","0.1224","0.1251","","","","","","1.145","","","","has coordinates,has disorder","284573","2023-06-29","09:25:04","" "1569337","10.6069","0.0003","10.0489","0.0002","11.2681","0.0003","90","","98.067","0.002","90","","1189.16","0.05","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F10 N4 Ni -","- C24 H20 F10 N4 Ni -","- C48 H40 F20 N8 Ni2 -","2","0.5","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0629","0.058","","","0.1748","0.1802","","","","","","1.128","","","","has coordinates","284573","2023-06-29","09:25:04","" "1569338","10.22025","0.00017","14.9324","0.0003","17.5031","0.0002","90","","105.407","0.0017","90","","2575.2","0.08","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 F18 N2 Ni2 O -","- C20 H18 F18 N2 Ni2 O -","- C80 H72 F72 N8 Ni8 O4 -","4","1","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0518","0.0438","","","0.1254","0.1317","","","","","","1.051","","","","has coordinates","284573","2023-06-29","09:25:04","" "1569339","20.0089","0.0005","9.688","0.0001","20.2007","0.0006","90","","118.582","0.003","90","","3438.62","0.17","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 F12 N4 Ni2 O9 -","- C28 H22 F12 N4 Ni2 O9 -","- C112 H88 F48 N16 Ni8 O36 -","4","0.5","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0373","0.0359","","","0.0987","0.0997","","","","","","1.082","","","","has coordinates","284573","2023-06-29","09:25:04","" "1569340","7.472","0.0004","8.6669","0.0004","12.3403","0.0006","99.771","0.004","105.008","0.004","105.431","0.004","719.21","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 F6 N4 Ni O6 -","- C28 H26 F6 N4 Ni O6 -","- C28 H26 F6 N4 Ni O6 -","1","0.5","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0551","0.0482","","","0.1287","0.1329","","","","","","1.063","","","","has coordinates,has disorder","284573","2023-06-29","09:25:04","" "1569341","9.6861","0.0001","13.9546","0.0001","10.8974","0.0001","90","","110.646","0.001","90","","1378.36","0.02","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 F10 N2 Ni -","- C12 H6 F10 N2 Ni -","- C48 H24 F40 N8 Ni4 -","4","1","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0344","0.034","","","0.0848","0.085","","","","","","1.101","","","","has coordinates","284573","2023-06-29","09:25:04","" "1569342","9.3627","0.0004","9.4114","0.0004","9.5203","0.0003","110.183","0.004","114.583","0.004","99.41","0.004","668.08","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 F14 N4 Ni -","- C26 H20 F14 N4 Ni -","- C26 H20 F14 N4 Ni -","1","0.5","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0598","0.0544","","","0.1526","0.1568","","","","","","1.063","","","","has coordinates,has disorder","284573","2023-06-29","09:25:05","" "1569343","8.6514","0.0002","13.0136","0.0003","13.6104","0.0004","88.652","0.002","84.551","0.002","71.915","0.002","1450.03","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 F10 N4 Ni O4 -","- C26 H20 F10 N4 Ni O4 -","- C52 H40 F20 N8 Ni2 O8 -","2","1","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0494","0.045","","","0.1232","0.1265","","","","","","1.064","","","","has coordinates,has disorder","284573","2023-06-29","09:25:05","" "1569344","11.5628","0.0005","13.9251","0.0007","17.4612","0.0007","90","","101.679","0.004","90","","2753.3","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Cl2 F18 N3 Ni2 -","- C19 H15 Cl2 F18 N3 Ni2 -","- C76 H60 Cl8 F72 N12 Ni8 -","4","1","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.1239","0.0832","","","0.2121","0.2411","","","","","","1.05","","","","has coordinates","284573","2023-06-29","09:25:05","" "1569345","12.2434","0.0003","13.7951","0.0003","19.1053","0.0004","99.235","0.003","93.899","0.003","94.115","0.004","3166.45","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 F22 N2 Ni2 O5 -","- C24 H18 F22 N2 Ni2 O5 -","- C96 H72 F88 N8 Ni8 O20 -","4","2","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0827","0.0694","","","0.1911","0.2021","","","","","","1.092","","","","has coordinates","284573","2023-06-29","09:25:05","" "1569346","15.4147","0.0005","10.4118","0.0004","12.7924","0.0004","90","","90","","90","","2053.11","0.12","298.37","0.1","298.37","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H25 N O3 S -","- C23 H25 N O3 S -","- C92 H100 N4 O12 S4 -","4","1","","Lin, Han-Ze; Qi, Zhuang; Wu, Qi-Min; Jiang, Yong-Yu; Peng, Jin-Bao","Palladium-catalyzed intramolecular asymmetric hydrocyclopropanylation of alkynes: synthesis of cyclopropane-fused γ-lactams.","Chemical science","2023","14","27","7564","7568","10.1039/d3sc02168h","","x-ray","1.54184","CuKα","","0.0592","0.0548","","","0.1463","0.153","","","","","","1.015","","","","has coordinates","286033","2023-09-05","19:06:57","" "1569347","6.7397","0.0002","8.1678","0.0002","16.0806","0.0005","93.714","0.002","95.548","0.002","96.111","0.002","873.54","0.04","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C38 H29 Cl2 N2 O6 S2 -","- C38 H29 Cl2 N2 O6 S2 -","- C38 H29 Cl2 N2 O6 S2 -","1","1","","Lin, Han-Ze; Qi, Zhuang; Wu, Qi-Min; Jiang, Yong-Yu; Peng, Jin-Bao","Palladium-catalyzed intramolecular asymmetric hydrocyclopropanylation of alkynes: synthesis of cyclopropane-fused γ-lactams.","Chemical science","2023","14","27","7564","7568","10.1039/d3sc02168h","","","1.54184","CuKα","","0.0733","0.0594","","","0.1584","0.1721","","","","","","1.031","","","","has coordinates","286033","2023-09-05","19:06:57","" "1569348","6.9158","0.0003","7.5748","0.0003","17.5449","0.0006","90","","94.912","0.003","90","","915.73","0.06","150","0.2","150","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O2 -","- C22 H25 N O2 -","- C44 H50 N2 O4 -","2","1","","Mikan, Charles P.; Matthews, Aidan; Harris, Daniel; McIvor, Charlotte E.; Waddell, Paul G.; Sims, Mark T.; Knowles, Jonathan P.","Stereoselective two-carbon ring expansion of allylic amines via electronic control of palladium-promoted equilibria","Chemical Science","2023","14","25","6992","6996","10.1039/D3SC02303F","","x-ray","1.54184","CuKα","","0.0484","0.0459","","","0.1257","0.1277","","","","","","1.079","","","","has coordinates","284575","2023-06-29","09:26:56","" "1569349","7.1457","0.0001","14.9447","0.0003","33.743","0.0007","90","","90","","90","","3603.43","0.12","150","0.2","150","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H49 Cl2 N O9 S -","- C35 H49 Cl2 N O9 S -","- C140 H196 Cl8 N4 O36 S4 -","4","1","","Mikan, Charles P.; Matthews, Aidan; Harris, Daniel; McIvor, Charlotte E.; Waddell, Paul G.; Sims, Mark T.; Knowles, Jonathan P.","Stereoselective two-carbon ring expansion of allylic amines via electronic control of palladium-promoted equilibria","Chemical Science","2023","14","25","6992","6996","10.1039/D3SC02303F","","x-ray","1.54184","CuKα","","0.0617","0.053","","","0.1233","0.1275","","","","","","1.057","","","","has coordinates,has disorder","284575","2023-06-29","09:26:56","" "1569350","14.1114","0.0008","17.2949","0.001","19.1195","0.0011","92.959","0.002","105.254","0.002","90.553","0.002","4494.5","0.4","104","2","104","","","","","","","","","3","P -1","-P 1","2","","","","- C62.5 H47 Cl -","- C62.5 H47 Cl -","- C250 H188 Cl4 -","4","2","","Sun, Zhitao; Fan, Wei; Han, Yi; Yuan, Wei; Ni, Yong; Wang, Jinyi; Wei, Haipeng; Zhao, Yanli; Sun, Zhe; Wu, Jishan","Helical fused 1,2:8,9-dibenzozethrene oligomers with up to 201° end-to-end twist: ""one-pot"" synthesis and chiral resolution.","Chemical science","2023","14","29","7922","7927","10.1039/d3sc02285d","","","1.54178","CuKα","","0.1296","0.1218","","","0.3018","0.3038","","","","","","1.152","","","","has coordinates","286026","2023-09-05","19:04:05","" "1569351","15.4947","0.0008","17.9161","0.0009","19.1436","0.001","86.013","0.003","86.561","0.003","73.993","0.003","5091.3","0.5","100","","100","","","","","","","","","2","P -1","-P 1","2","","","","- C138 H134 -","- C138 H134 -","- C276 H268 -","2","1","","Sun, Zhitao; Fan, Wei; Han, Yi; Yuan, Wei; Ni, Yong; Wang, Jinyi; Wei, Haipeng; Zhao, Yanli; Sun, Zhe; Wu, Jishan","Helical fused 1,2:8,9-dibenzozethrene oligomers with up to 201° end-to-end twist: ""one-pot"" synthesis and chiral resolution.","Chemical science","2023","14","29","7922","7927","10.1039/d3sc02285d","","","1.54178","CuKα","","0.0652","0.0585","","","0.1513","0.1568","","","","","","1.043","","","","has coordinates,has disorder","286026","2023-09-05","19:04:06","" "1569352","37.1031","0.0013","18.2874","0.0006","30.6172","0.001","90","","123.328","0.002","90","","17357.8","1.1","100","","100","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C116 H108 -","- C116 H108 -","- C928 H864 -","8","1","","Sun, Zhitao; Fan, Wei; Han, Yi; Yuan, Wei; Ni, Yong; Wang, Jinyi; Wei, Haipeng; Zhao, Yanli; Sun, Zhe; Wu, Jishan","Helical fused 1,2:8,9-dibenzozethrene oligomers with up to 201° end-to-end twist: ""one-pot"" synthesis and chiral resolution.","Chemical science","2023","14","29","7922","7927","10.1039/d3sc02285d","","","1.54178","CuKα","","0.0681","0.0562","","","0.1372","0.1453","","","","","","1.043","","","","has coordinates,has disorder","286026","2023-09-05","19:04:06","" "1569353","12.6773","0.0003","17.7433","0.0004","18.0024","0.0004","72.511","0.001","77.902","0.001","82.932","0.002","3768.61","0.15","100","2","100","","","","","","","","","2","P -1","-P 1","2","","","","- C105.99 H77.99 -","- C105.993 H77.992 -","- C211.986 H155.984 -","2","1","","Sun, Zhitao; Fan, Wei; Han, Yi; Yuan, Wei; Ni, Yong; Wang, Jinyi; Wei, Haipeng; Zhao, Yanli; Sun, Zhe; Wu, Jishan","Helical fused 1,2:8,9-dibenzozethrene oligomers with up to 201° end-to-end twist: ""one-pot"" synthesis and chiral resolution.","Chemical science","2023","14","29","7922","7927","10.1039/d3sc02285d","","","1.54178","CuKα","","0.1047","0.0766","","","0.1801","0.2001","","","","","","1.045","","","","has coordinates,has disorder","286026","2023-09-05","19:04:06","" "1569354","24.3943","0.0008","14.1219","0.0004","29.0635","0.0008","90","","103.837","0.003","90","","9721.6","0.5","180","0.1","180","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Qx-m-4F","","- C104 H110 F6 N8 O2 S4 -","- C105 H111 Cl3 F6 N8 O2 S4 -","- C420 H444 Cl12 F24 N32 O8 S16 -","4","1","","Xie, Meiling; Shi, Yanan; Zhu, Lingyun; Zhang, Jianqi; Cheng, Qian; Zhang, Hao; Yan, Yangjun; Zhu, Mingquan; Zhou, Huiqiong; Lu, Kun; Wei, Zhixiang","Selective halogenation of central and end-units of nonfullerene acceptors enables enhanced molecular packing and photovoltaic performance","Energy & Environmental Science","2023","16","8","3543","3551","10.1039/D3EE01333B","","x-ray","0.71073","MoKα","","0.1044","0.0812","","","0.2083","0.2236","","","","","","1.061","","","","has coordinates,has disorder","286128","2023-09-05","19:53:10","" "1569355","22.0344","0.0004","27.1704","0.0004","38.5671","0.0007","90","","98.0928","0.0017","90","","22859.5","0.7","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Qx-o-4F","","- C104 H110 F6 N8 O2 S4 -","- C105.154 H111.154 Cl3.462 F6 N8 O2 S4 -","- C841.232 H889.232 Cl27.696 F48 N64 O16 S32 -","8","2","","Xie, Meiling; Shi, Yanan; Zhu, Lingyun; Zhang, Jianqi; Cheng, Qian; Zhang, Hao; Yan, Yangjun; Zhu, Mingquan; Zhou, Huiqiong; Lu, Kun; Wei, Zhixiang","Selective halogenation of central and end-units of nonfullerene acceptors enables enhanced molecular packing and photovoltaic performance","Energy & Environmental Science","2023","16","8","3543","3551","10.1039/D3EE01333B","","x-ray","0.71073","MoKα","","0.1246","0.1023","","","0.2314","0.243","","","","","","1.088","","","","has coordinates,has disorder","286128","2023-09-05","19:53:11","" "1569356","9.1997","0.0003","9.1235","0.0003","21.9062","0.0008","90","","97.727","0.001","90","","1821.97","0.11","300","2","300","","","","","","","","","1","P 1 2/n 1","-P 2yac","13","","Violet phosphorus","","- P -","- P -","- P84 -","84","21","","Wang, Yanhao; Jin, Mengting; Gu, Mengyue; Zhao, Xuewen; Xie, Jinan; Meng, Guodong; Cheng, Yonghong; He, Jinjiang; Zhang, Jinying","Synthesis of violet phosphorus with large lateral sizes to facilitate nano-device fabrications.","Nanoscale","2023","15","29","12406","12412","10.1039/d3nr01113e","","","0.71073","MoKα","","0.0385","0.0271","","","0.0512","0.0562","","","","","","1.064","","","","has coordinates","292204","2024-06-05","14:01:46","" "1569357","59.1396","0.0019","59.1396","0.0019","32.143","0.003","90","","90","","120","","97358","10","273.15","","273.15","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C234 H204 Ag24 F36 N12 O24 S12 -","- C234 H204 Ag24 F36 N12 O24 S12 -","- C2106 H1836 Ag216 F324 N108 O216 S108 -","9","0.25","","Sakai, Jin; Biswas, Sourav; Irie, Tsukasa; Mabuchi, Haruna; Sekine, Taishu; Niihori, Yoshiki; Das, Saikat; Negishi, Yuichi","Synthesis and luminescence properties of two silver cluster-assembled materials for selective Fe3+ sensing.","Nanoscale","2023","15","29","12227","12234","10.1039/d3nr01920a","","","0.71073","MoKα","","0.1197","0.0794","","","0.2372","0.2813","","","","","","1.043","","","","has coordinates,has disorder","285465","2023-08-05","09:09:31","" "1569358","58.313","0.002","58.313","0.002","32.365","0.002","90","","90","","120","","95310","7","273.15","","273.15","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C234 H228 Ag24 F36 N12 O24 S12 -","- C234 H228 Ag24 F36 N12 O24 S12 -","- C2106 H2052 Ag216 F324 N108 O216 S108 -","9","0.25","","Sakai, Jin; Biswas, Sourav; Irie, Tsukasa; Mabuchi, Haruna; Sekine, Taishu; Niihori, Yoshiki; Das, Saikat; Negishi, Yuichi","Synthesis and luminescence properties of two silver cluster-assembled materials for selective Fe3+ sensing.","Nanoscale","2023","15","29","12227","12234","10.1039/d3nr01920a","","","0.71073","MoKα","","0.108","0.0721","","","0.2062","0.2519","","","","","","1.025","","","","has coordinates,has disorder","285465","2023-08-05","09:09:32","" "1569359","14.0027","0.001","15.4287","0.0013","20.8968","0.0018","102.072","0.003","104.783","0.002","108.198","0.002","3936.5","0.6","190","2","190","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 N2 Ni O -","- C44 H48 N2 Ni O -","- C176 H192 N8 Ni4 O4 -","4","2","","Li, Qiankun; Mu, Hongliang; Jian, Zhongbao","Facile access to diverse polyethylenes via neutral salicylaldiminato nickel catalysts","Polymer Chemistry","2023","14","27","3196","3202","10.1039/D3PY00450C","","","0.71073","MoKα","","0.0983","0.0531","","","0.1152","0.1402","","","","","","1.027","","","","has coordinates","285535","2023-08-05","09:37:54","" "1569360","12.6742","0.0003","20.3077","0.0006","15.1446","0.0004","90","","94.37","0.001","90","","3886.64","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 N2 O2 Pd -","- C50 H42 N2 O2 Pd -","- C200 H168 N8 O8 Pd4 -","4","1","","Birajdar, Rajkumar S.; Gonnade, Rajesh G.; Pol, Harshawardhan V.; Prabhu M., Basava; Rokade, Dhammaraj; Nandimath, Sheetal; Chikkali, Samir H.","Palladium-catalyzed polar solvent empowered synthesis of hyper-branched ethylene oligomers and their applications","Polymer Chemistry","2023","14","27","3239","3251","10.1039/D3PY00311F","","","0.71073","MoKα","","0.0391","0.0322","","","0.0766","0.0808","","","","","","1.046","","","","has coordinates","285534","2023-08-05","09:37:42","" "1569361","7.25651","0.00012","14.5203","0.0002","16.1412","0.0002","90","","90","","90","","1700.75","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H34 Al N -","- C16 H34 Al N -","- C64 H136 Al4 N4 -","4","1","","Safaie, Niloofar; Rodriguez, Austin; Jana, Gourhari; Smak, Jessica; Mendoza-Cortes, Jose L.; Ferrier, Robert C.","Unveiling the mechanisms of epoxide polymerization with N–Al adduct catalysts: a comprehensive experimental and theoretical investigation","Polymer Chemistry","2023","14","27","3213","3224","10.1039/D3PY00482A","","x-ray","1.54184","CuKα","","0.0433","0.0375","","","0.0962","0.0976","","","","","","1.03","","","","has coordinates","285536","2023-08-05","09:38:02","" "1569362","7.5824","0.0002","12.9289","0.0003","15.4855","0.0003","90","","90","","90","","1518.08","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H30 Al N -","- C12 H30 Al N -","- C48 H120 Al4 N4 -","4","1","","Safaie, Niloofar; Rodriguez, Austin; Jana, Gourhari; Smak, Jessica; Mendoza-Cortes, Jose L.; Ferrier, Robert C.","Unveiling the mechanisms of epoxide polymerization with N–Al adduct catalysts: a comprehensive experimental and theoretical investigation","Polymer Chemistry","2023","14","27","3213","3224","10.1039/D3PY00482A","","x-ray","1.54184","CuKα","","0.0413","0.0396","","","0.1027","0.1047","","","","","","1.026","","","","has coordinates","285536","2023-08-05","09:38:03","" "1569363","12.4095","0.0003","20.9214","0.0004","18.3058","0.0004","90","","101.641","0.001","90","","4654.87","0.18","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H75 Al N2 O2 -","- C48 H75 Al N2 O2 -","- C192 H300 Al4 N8 O8 -","4","1","","Wang, Xing; Zhang, Yanping; Hong, Miao","Insights into the interaction between bis(aryloxide)alkylaluminum and N-heterocyclic carbene: from an abnormal Lewis adduct to a frustrated Lewis pair for efficient polymerizations of biomass-derived acrylic monomers","Polymer Chemistry","2023","14","28","3286","3293","10.1039/D3PY00546A","","","0.71073","MoKα","","0.0654","0.047","","","0.1114","0.1246","","","","","","1.046","","","","has coordinates","285533","2023-08-05","09:37:29","" "1569364","9.7774","0.0007","17.9495","0.0015","24.4311","0.0018","90","","95.074","0.002","90","","4270.8","0.6","192","2","192","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H71 Al N2 O2 -","- C43 H71 Al N2 O2 -","- C172 H284 Al4 N8 O8 -","4","1","","Wang, Xing; Zhang, Yanping; Hong, Miao","Insights into the interaction between bis(aryloxide)alkylaluminum and N-heterocyclic carbene: from an abnormal Lewis adduct to a frustrated Lewis pair for efficient polymerizations of biomass-derived acrylic monomers","Polymer Chemistry","2023","14","28","3286","3293","10.1039/D3PY00546A","","","0.71073","MoKα","","0.0722","0.0497","","","0.1121","0.1275","","","","","","1.047","","","","has coordinates","285533","2023-08-05","09:37:30","" "1569365","13.3447","0.0008","17.0418","0.0011","18.5572","0.0012","90","","107.455","0.002","90","","4025.9","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H67 Al N2 O2 -","- C41 H67 Al N2 O2 -","- C164 H268 Al4 N8 O8 -","4","1","","Wang, Xing; Zhang, Yanping; Hong, Miao","Insights into the interaction between bis(aryloxide)alkylaluminum and N-heterocyclic carbene: from an abnormal Lewis adduct to a frustrated Lewis pair for efficient polymerizations of biomass-derived acrylic monomers","Polymer Chemistry","2023","14","28","3286","3293","10.1039/D3PY00546A","","","0.71073","MoKα","","0.0982","0.0543","","","0.1092","0.1321","","","","","","1.042","","","","has coordinates","285533","2023-08-05","09:37:30","" "1569366","12.1211","0.0004","17.4339","0.0006","20.9006","0.0006","90","","92.523","0.001","90","","4412.4","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H75 Al N2 O2 -","- C45 H75 Al N2 O2 -","- C180 H300 Al4 N8 O8 -","4","1","","Wang, Xing; Zhang, Yanping; Hong, Miao","Insights into the interaction between bis(aryloxide)alkylaluminum and N-heterocyclic carbene: from an abnormal Lewis adduct to a frustrated Lewis pair for efficient polymerizations of biomass-derived acrylic monomers","Polymer Chemistry","2023","14","28","3286","3293","10.1039/D3PY00546A","","","0.71073","MoKα","","0.0651","0.0467","","","0.1033","0.1147","","","","","","1.05","","","","has coordinates","285533","2023-08-05","09:37:30","" "1569367","9.1959","0.0006","13.4702","0.001","10.7519","0.0006","90","","91.216","0.005","90","","1331.54","0.15","292.26","0.1","292.26","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H11 N O2 -","- C20 H11 N O2 -","- C80 H44 N4 O8 -","4","0.5","","Wu, Yimin; Liu, Xiaoyu; Liu, Junjie; Yang, Ge; Han, Songyan; Yang, Dezhi; Cao, Xiaosong; Ma, Dongge; Bin, Zhengyang; You, Jingsong","Geometry engineering of a multiple resonance core via a phenyl-embedded strategy toward highly efficient narrowband blue OLEDs.","Materials horizons","2023","10","9","3785","3790","10.1039/d3mh00617d","","x-ray","1.54184","CuKα","","0.0742","0.0719","","","0.1623","0.1673","","","","","","1.08","","","","has coordinates","286199","2023-09-05","20:28:27","" "1569368","8.0822","0.0016","11.034","0.0019","11.143","0.002","61.646","0.006","69.236","0.004","83.968","0.006","815.3","0.3","308","2","308","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H13 N O2 -","- C24 H13 N O2 -","- C48 H26 N2 O4 -","2","1","","Wu, Yimin; Liu, Xiaoyu; Liu, Junjie; Yang, Ge; Han, Songyan; Yang, Dezhi; Cao, Xiaosong; Ma, Dongge; Bin, Zhengyang; You, Jingsong","Geometry engineering of a multiple resonance core via a phenyl-embedded strategy toward highly efficient narrowband blue OLEDs.","Materials horizons","2023","10","9","3785","3790","10.1039/d3mh00617d","","","0.71073","MoKα","","0.065","0.0429","","","0.1031","0.1158","","","","","","1.03","","","","has coordinates","286199","2023-09-05","20:28:27","" "1569369","15.167","0.0004","10.9238","0.0004","11.5354","0.0004","90","","94.397","0.003","90","","1905.57","0.11","293.9","0.2","293.9","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C28 H15 N O2 -","- C28 H15 N O2 -","- C112 H60 N4 O8 -","4","0.5","","Wu, Yimin; Liu, Xiaoyu; Liu, Junjie; Yang, Ge; Han, Songyan; Yang, Dezhi; Cao, Xiaosong; Ma, Dongge; Bin, Zhengyang; You, Jingsong","Geometry engineering of a multiple resonance core via a phenyl-embedded strategy toward highly efficient narrowband blue OLEDs.","Materials horizons","2023","10","9","3785","3790","10.1039/d3mh00617d","","x-ray","1.54184","CuKα","","0.0637","0.0606","","","0.1541","0.1589","","","","","","1.081","","","","has coordinates","286199","2023-09-05","20:28:27","" "1569370","14.7721","0.0008","14.0494","0.0008","12.9393","0.0007","90","","120.406","0.003","90","","2316.1","0.2","197","2","197","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 N O4 -","- C30 H23 N O4 -","- C120 H92 N4 O16 -","4","0.5","","Wu, Yimin; Liu, Xiaoyu; Liu, Junjie; Yang, Ge; Han, Songyan; Yang, Dezhi; Cao, Xiaosong; Ma, Dongge; Bin, Zhengyang; You, Jingsong","Geometry engineering of a multiple resonance core via a phenyl-embedded strategy toward highly efficient narrowband blue OLEDs.","Materials horizons","2023","10","9","3785","3790","10.1039/d3mh00617d","","","0.71073","MoKα","","0.0586","0.0392","","","0.0939","0.1024","","","","","","1.048","","","","has coordinates","286199","2023-09-05","20:28:27","" "1569371","3.7973","0.0003","17.7163","0.0014","19.1364","0.0015","90","","90","","90","","1287.38","0.18","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H9 N O2 -","- C20 H9 N O2 -","- C80 H36 N4 O8 -","4","1","","Wu, Yimin; Liu, Xiaoyu; Liu, Junjie; Yang, Ge; Han, Songyan; Yang, Dezhi; Cao, Xiaosong; Ma, Dongge; Bin, Zhengyang; You, Jingsong","Geometry engineering of a multiple resonance core via a phenyl-embedded strategy toward highly efficient narrowband blue OLEDs.","Materials horizons","2023","10","9","3785","3790","10.1039/d3mh00617d","","","0.71073","MoKα","","0.1299","0.059","","","0.1039","0.1322","","","","","","1.019","","","","has coordinates","286199","2023-09-05","20:28:27","" "1569372","16.208","0.004","4.087","0.001","12.278","0.002","90","","90","","90","","813.3","0.3","200","2","200","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C26 H13 N O2 -","- C26 H13 N O2 -","- C52 H26 N2 O4 -","2","0.5","","Wu, Yimin; Liu, Xiaoyu; Liu, Junjie; Yang, Ge; Han, Songyan; Yang, Dezhi; Cao, Xiaosong; Ma, Dongge; Bin, Zhengyang; You, Jingsong","Geometry engineering of a multiple resonance core via a phenyl-embedded strategy toward highly efficient narrowband blue OLEDs.","Materials horizons","2023","10","9","3785","3790","10.1039/d3mh00617d","","","0.71073","MoKα","","0.0632","0.0448","","","0.0901","0.0994","","","","","","1.059","","","","has coordinates","286199","2023-09-05","20:28:27","" "1569373","14.4911","0.001","17.4128","0.0012","32.32","0.002","90","","99.617","0.003","90","","8040.7","0.9","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H33 B2 N3 O -","- C52 H33 B2 N3 O -","- C416 H264 B16 N24 O8 -","8","2","","Zou, Yang; He, Jiawei; Li, Nengquan; Hu, Yuxuan; Luo, Sai; Cao, Xiaosong; Yang, Chuluo","Precisely regulating the double-boron-based multi-resonance framework towards pure-red emitters: high-performance OLEDs with CIE coordinates fully satisfying the BT. 2020 standard.","Materials horizons","2023","10","9","3712","3718","10.1039/d3mh00800b","","","1.34139","GaKα","","0.1466","0.1087","","","0.3062","0.3387","","","","","","1.034","","","","has coordinates","286200","2023-09-05","20:28:38","" "1569374","5.1456","0.0002","7.7415","0.0004","13.6223","0.0006","90","","90","","90","","542.64","0.04","293","2","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Boer, Stephanie A.; Price, Jason R.; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Summers, Aston; Turner, Gemma F.; Jones, Isabelle; Bond, Charles; Vrielink, Alice; Marshall, Andrew C.; Hitchings, John; Moggach, Stephen A.","High-pressure single-crystal diffraction at the Australian Synchrotron.","Journal of synchrotron radiation","2023","30","4","841","846","10.1107/S160057752300406X","","","0.71073","MoKα","","0.0497","0.0395","","","0.0978","0.1039","","","","","","1.077","","","","has coordinates,has Fobs","284703","2023-06-29","16:02:05","" "1569375","5.1419","0.0002","7.7217","0.0004","13.613","0.005","90","","90","","90","","540.5","0.2","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Boer, Stephanie A.; Price, Jason R.; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Summers, Aston; Turner, Gemma F.; Jones, Isabelle; Bond, Charles; Vrielink, Alice; Marshall, Andrew C.; Hitchings, John; Moggach, Stephen A.","High-pressure single-crystal diffraction at the Australian Synchrotron.","Journal of synchrotron radiation","2023","30","4","841","846","10.1107/S160057752300406X","","x-ray","0.71073","MoKα","","0.0542","0.0404","","","0.1017","0.1246","","","","","","1.131","","","","has coordinates,has Fobs","284703","2023-06-29","16:02:23","" "1569376","5.1489","0.0005","7.7304","0.0005","13.602","0.006","90","","90","","90","","541.4","0.2","293","2","293","","","","150000","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Boer, Stephanie A.; Price, Jason R.; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Summers, Aston; Turner, Gemma F.; Jones, Isabelle; Bond, Charles; Vrielink, Alice; Marshall, Andrew C.; Hitchings, John; Moggach, Stephen A.","High-pressure single-crystal diffraction at the Australian Synchrotron.","Journal of synchrotron radiation","2023","30","4","841","846","10.1107/S160057752300406X","","x-ray","0.71073","Synchrotron","","0.0507","0.0404","","","0.1088","0.1423","","","","","","1.222","","","","has coordinates,has Fobs","284703","2023-06-29","16:02:23","" "1569377","7.055","0.0004","7.1706","0.0003","9.4182","0.0006","90","","109.295","0.007","90","","449.69","0.05","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Barium bis(tetrafluoridoborate) trihydrate","","- B2 Ba F8 H6 O3 -","- B2 Ba F8 H6 O3 -","- B4 Ba2 F16 H12 O6 -","2","1","WM4190","Goreshnik, Evgeny; Vakulka, Andrii; Tavčar, Gašper","Low-temperature modification of Ba(BF4)2(H2O)3","IUCrData","2023","8","6","","","10.1107/S2414314623004881","","x-ray","0.71073","MoKα","","0.0403","0.0356","","","0.0876","0.0892","","","","","","1.07","","","","has coordinates,has disorder","284704","2023-06-29","16:06:30","" "1569378","14.9788","0.0002","15.3455","0.0002","16.2948","0.0002","90","","90","","90","","3745.48","0.08","93.25","","93.25","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Aqua{μ-1,4-bis[(1,4,7,10-tetraazacyclododecan-1-yl)methyl]benzene}(nitrato-κO)dicopper(II) tris(nitrate) trihydrate","","- C24 H54 Cu2 N12 O16 -","- C24 H54 Cu2 N12 O16 -","- C96 H216 Cu8 N48 O64 -","4","1","ZL4054","Ichimaru, Yoshimi; Kato, Koichi; Sugiura, Kirara; Ogawa, Sarina; Jin, Wanchun; Kurihara, Masaaki; Yamaguchi, Yoshihiro; Imai, Masanori; Kurosaki, Hiromasa","Aqua{μ-1,4-bis[(1,4,7,10-tetraazacyclododecan-1-yl)methyl]benzene}(nitrato-κO)dicopper(II) tris(nitrate) trihydrate","IUCrData","2023","8","6","","","10.1107/S2414314623004625","","x-ray","1.54184","CuKα","","0.0535","0.0458","","","0.1219","0.139","","","","","","1.063","","","","has coordinates","284705","2023-06-29","16:07:35","" "1569379","12.3973","0.0004","4.7662","0.00015","31.5382","0.001","90","","99.318","0.003","90","","1838.94","0.1","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,6'-Diheptyl-3,3'-bis[(pyridin-3-yl)ethynyl]-5H,5'H-dipyrrolo[1,2-b:1',2'-g][2,6]naphthyridine-5,5'-dione","","- C42 H42 N4 O2 -","- C42 H42 N4 O2 -","- C84 H84 N8 O4 -","2","0.5","HB4432","Xiang, Juan; Gao, Huan; Ma, Zhengyu; Cai, Xiaohua; Zhang, Yu-Peng","6,6′-Diheptyl-3,3′-bis[(pyridin-3-yl)ethynyl]-5H,5′H-dipyrrolo[1,2-b:1′,2′-g][2,6]naphthyridine-5,5′-dione","IUCrData","2023","8","6","","","10.1107/S2414314623005138","","","1.54184","CuKα","","0.1053","0.0899","","","0.2287","0.2545","","","","","","1.054","","","","has coordinates","284706","2023-06-29","16:08:32","" "1569380","23.1223","0.0006","10.6267","0.0003","11.3533","0.0003","90","","98.087","0.001","90","","2761.92","0.13","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H48 I N6 P -","- C23 H48 I N6 P -","- C92 H192 I4 N24 P4 -","4","0.5","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0431","0.0405","","","0.0971","0.0985","","","","","","1.24","","","","has coordinates,has disorder","286028","2023-09-05","19:05:28","" "1569381","9.5526","0.0003","12.6149","0.0005","14.1053","0.0005","106.682","0.002","106.508","0.002","103.779","0.002","1463.45","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H47 I2 N6 P -","- C23 H47 I2 N6 P -","- C46 H94 I4 N12 P2 -","2","1","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0373","0.033","","","0.0844","0.0873","","","","","","1.085","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29","" "1569382","12.9856","0.0003","9.8313","0.0002","20.5049","0.0005","90","","101.643","0.001","90","","2563.9","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(sItBuN)2PMe","","- C23 H47 N6 P -","- C23 H47 N6 P -","- C92 H188 N24 P4 -","4","1","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0399","0.0388","","","0.1018","0.1026","","","","","","1.157","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29","" "1569383","19.1275","0.0009","9.9593","0.0005","17.3077","0.0008","90","","92.711","0.003","90","","3293.4","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H47 I4 N6 P -","- C23 H47 I4 N6 P -","- C92 H188 I16 N24 P4 -","4","1","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0431","0.0379","","","0.1013","0.1061","","","","","","1.076","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29","" "1569384","13.7117","0.0005","16.9823","0.0009","29.5424","0.0008","74.076","0.003","82.009","0.003","67.187","0.004","6093.5","0.5","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C110 H118 B2 F48 N12 O P2 -","- C110 H118 B2 F48 N12 O P2 -","- C220 H236 B4 F96 N24 O2 P4 -","2","1","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","x-ray","0.71073","MoKα","","0.0664","0.0545","","","0.1386","0.1503","","","","","","1.062","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29","" "1569385","27.9781","0.0006","12.6688","0.0003","28.6912","0.0006","90","","90","","90","","10169.6","0.4","100","2","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C55 H75 N6 P -","- C55 H75 N6 P -","- C440 H600 N48 P8 -","8","2","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0748","0.0641","","","0.1602","0.1679","","","","","","1.085","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29","" "1569386","12.9765","0.0002","20.2016","0.0004","20.259","0.0004","90","","104.944","0.001","90","","5131.2","0.17","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55 H73 N6 P -","- C55 H73 N6 P -","- C220 H292 N24 P4 -","4","1","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0869","0.0606","","","0.1412","0.1534","","","","","","1.036","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29","" "1569387","12.1219","0.0002","21.3779","0.0003","22.6","0.0003","106.534","0.0007","90.8992","0.0007","91.4357","0.0007","5611.07","0.14","100","2","100.02","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H74 F3 N6 O3 P S -","- C56 H74 F3 N6 O3 P S -","- C224 H296 F12 N24 O12 P4 S4 -","4","2","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0741","0.0529","","","0.1282","0.139","","","","","","1.025","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29","" "1569388","13.5828","0.0004","48.1844","0.0012","19.0661","0.0005","90","","92.09","0.002","90","","12470.1","0.6","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C117.75 H157 F12 N12 O12.5 P2 S4 -","- C117.75 H157 F12 N12 O12.5 P2 S4 -","- C471 H628 F48 N48 O50 P8 S16 -","4","1","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.1184","0.0981","","","0.2195","0.2281","","","","","","1.13","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29","" "1569389","9.1061","0.0002","12.0634","0.0002","14.0083","0.0003","90","","90","","90","","1538.82","0.05","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Wu, Changhui; Chang, Zhiqian; Peng, Chuanyong; Bai, Chen; Xing, Junhao; Dou, Xiaowei","Catalytic asymmetric indolization by a desymmetrizing [3 + 2] annulation strategy.","Chemical science","2023","14","29","7980","7987","10.1039/d3sc02474a","","","1.54178","CuKα","","0.0339","0.0317","","","0.0772","0.0793","","","","","","1.05","","","","has coordinates","286029","2023-09-05","19:05:46","" "1569390","7.3445","0.0019","23.984","0.003","13.177","0.0013","90","","90","","90","","2321.1","0.7","298","","298","","710000","","710000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C35.1 H35.5 O14.2 Sc2 -","- C35.02 H36.4208 O14.32 Sc2 -","- C70.04 H72.8416 O28.64 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","x-ray","0.4859","synchrotron","","0.1523","0.1371","","","0.4127","0.4424","","","","","","2.065","","","","has coordinates,has disorder","286031","2023-09-05","19:06:24","" "1569391","7.3205","0.0015","26.609","0.005","11.922","0.002","90","","90","","90","","2322.3","0.8","298","","298","","470000","","470000","","","","","5","C m m a","-C 2a 2","67","GUF-1","","","- C35.8 H29.7 N O12.3 Sc2 -","- C35.84 H29.72 N1.04 O12.28 Sc2 -","- C71.68 H59.44 N2.08 O24.56 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1788","0.1393","","","0.3403","0.3704","","","","","","1.299","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25","" "1569392","7.29","0.003","22.957","0.004","13.4286","0.0014","90","","90","","90","","2247.4","1","298","","298","","2130000","","2130000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.5 H41.26 O15.48 Sc2 -","- C33.38 H23.52 O10 Sc2 -","- C66.76 H47.04 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1525","0.1425","","","0.4148","0.4296","","","","","","1.905","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25","" "1569393","7.3533","0.0015","26.584","0.005","11.879","0.002","90","","90","","90","","2322.1","0.8","298","","298","","230000","","230000","","","","","5","C m m a","-C 2a 2","67","GUF-1","","","- C36.1 H28.4 N1.2 O11.7 Sc2 -","- C36.2 H30 N1.6 O11.8 Sc2 -","- C72.4 H60 N3.2 O23.6 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1256","0.1025","","","0.271","0.2879","","","","","","1.103","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25","" "1569394","7.241","0.004","22.814","0.007","13.473","0.003","90","","90","","90","","2225.7","1.5","298","","298","","2610000","","2610000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.8 H41.32 O15.76 Sc2 -","- C33.64 H24.56 O10 Sc2 -","- C67.28 H49.12 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1265","0.1136","","","0.3519","0.3628","","","","","","1.47","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25","" "1569395","7.18","0.002","22.587","0.004","13.5541","0.0013","90","","90","","90","","2198.1","0.8","298","","298","","3200000","","3200000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.6 H40.6 O15.6 Sc2 -","- C33.44 H23.76 O10 Sc2 -","- C66.88 H47.52 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1189","0.1106","","","0.3495","0.3636","","","","","","1.663","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25","" "1569396","7.0143","0.0012","21.941","0.007","13.6972","0.0019","90","","90","","90","","2108","0.8","298","","298","","4980000","","4980000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.6 H40.4 O15.5 Sc2 -","- C33.96 H25.84 O10 Sc2 -","- C67.92 H51.68 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.125","0.1109","","","0.3232","0.3328","","","","","","1.216","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25","" "1569397","7.1429","0.0017","22.463","0.003","13.5504","0.0012","90","","90","","90","","2174.2","0.6","298","","298","","3450000","","3450000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.3 H39.12 O15.26 Sc2 -","- C33.56 H24.24 O10 Sc2 -","- C67.12 H48.48 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1266","0.1158","","","0.3457","0.357","","","","","","1.598","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25","" "1569398","7.0769","0.0014","22.232","0.004","13.613","0.0015","90","","90","","90","","2141.8","0.6","298","","298","","4110000","","4110000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.5 H40.2 O15.5 Sc2 -","- C33.8 H25.2 O10 Sc2 -","- C67.6 H50.4 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1048","0.0904","","","0.2598","0.2702","","","","","","1.104","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25","" "1569399","7.1069","0.0018","22.297","0.004","13.5858","0.0016","90","","90","","90","","2152.8","0.7","298","","298","","3850000","","3850000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.3 H39.22 O15.26 Sc2 -","- C33.36 H23.44 O10 Sc2 -","- C66.72 H46.88 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1487","0.1301","","","0.4137","0.4264","","","","","","1.807","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25","" "1569400","7.213","0.002","22.789","0.003","13.4966","0.0013","90","","90","","90","","2218.5","0.7","298","","298","","2840000","","2840000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.5 H40.48 O15.76 Sc2 -","- C33.44 H23.76 O10 Sc2 -","- C66.88 H47.52 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1189","0.1106","","","0.3495","0.3636","","","","","","1.663","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25","" "1569401","7.038","0.0015","22.061","0.006","13.652","0.002","90","","90","","90","","2119.7","0.8","298","","298","","4600000","","4600000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C36.2 H35.2 O14.2 Sc2 -","- C33.7 H24.8 O10 Sc2 -","- C67.4 H49.6 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1225","0.1003","","","0.2767","0.2932","","","","","","1.095","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25","" "1569402","7.3292","0.0016","23.332","0.003","13.3614","0.0011","90","","90","","90","","2284.9","0.6","298","","298","","1610000","","1610000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C36.74 H35.36 O13.74 Sc2 -","- C33.86 H25.44 O10 Sc2 -","- C67.72 H50.88 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1452","0.13","","","0.4145","0.4401","","","","","","1.888","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25","" "1569403","7.3054","0.0005","26.5207","0.0017","11.755","0.0009","90","","90","","90","","2277.5","0.3","273","2","273.15","","","","","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- H24 N1.2 O10.6 Sc2 -","- C34.4 H24 N1.2 O10.6 Sc2 -","- C68.8 H48 N2.4 O21.2 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.71073","MoKα","","0.0925","0.0904","","","0.2662","0.2682","","","","","","1.073","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25","" "1569404","9.7802","0.0003","23.3448","0.0007","13.2357","0.0004","90","","111.722","0.002","90","","2807.35","0.15","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H38 F3 N2 O5 P -","- C23 H38 F3 N2 O5 P -","- C92 H152 F12 N8 O20 P4 -","4","1","","Piris, Patricia; Buric, Duje; Yamasaki, Toshihide; Huchedé, Paul; Rossi, Maïlys; Matteudi, Mélanie; Montero, Marie-Pierre; Rodallec, Anne; Appay, Romain; Roux, Christine; Combes, Sébastien; Pasquier, Eddy; Castets, Marie; André, Nicolas; Brémond, Paul; Carré, Manon","Conditional generation of free radicals by selective activation of alkoxyamines: towards more effective and less toxic targeting of brain tumors.","Chemical science","2023","14","29","7988","7998","10.1039/d3sc01315d","","x-ray","0.71073","MoKα","","0.1418","0.0637","","","0.1623","0.2218","","","","","","1.024","","","","has coordinates","286025","2023-09-05","19:02:34","" "1569405","9.6414","0.0002","17.8695","0.0003","16.8961","0.0004","90","","110.21","","90","","2731.76","0.1","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H38 F3 N2 O5 P -","- C23 H38 F3 N2 O5 P -","- C92 H152 F12 N8 O20 P4 -","4","1","","Piris, Patricia; Buric, Duje; Yamasaki, Toshihide; Huchedé, Paul; Rossi, Maïlys; Matteudi, Mélanie; Montero, Marie-Pierre; Rodallec, Anne; Appay, Romain; Roux, Christine; Combes, Sébastien; Pasquier, Eddy; Castets, Marie; André, Nicolas; Brémond, Paul; Carré, Manon","Conditional generation of free radicals by selective activation of alkoxyamines: towards more effective and less toxic targeting of brain tumors.","Chemical science","2023","14","29","7988","7998","10.1039/d3sc01315d","","x-ray","0.71073","MoKα","","0.1355","0.0813","","","0.2216","0.272","","","","","","1.045","","","","has coordinates","286025","2023-09-05","19:02:34","" "1569406","5.4826","0.0003","12.4971","0.0007","23.5451","0.0013","90","","90","","90","","1613.23","0.15","100","0.5","100","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Methionyl L-tyrosine monohydrate","L-Methionyl-L-tyrosine monohydrate","","- C14 H22 N2 O5 S -","- C14 H22 N2 O5 S -","- C56 H88 N8 O20 S4 -","4","1","HB4434","Babu, Sainath; Claville, Michelle O.; Fronczek, Frank R.; Uppu, Rao M.","L-Methionyl-L-tyrosine monohydrate","IUCrData","2023","8","6","","","10.1107/S2414314623005515","","","1.54184","CuKα","","0.0271","0.0252","","","0.0625","0.0635","","","","","","1.063","","","","has coordinates","284743","2023-07-01","01:59:46","" "1569407","7.9303","0.0006","11.2977","0.0009","11.9988","0.0009","82.468","0.004","77.379","0.004","73.419","0.004","1002.71","0.14","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-(4-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile acetic acid monosolvate","","- C22 H18 N2 O6 -","- C22 H18 N2 O6 -","- C44 H36 N4 O12 -","2","1","HB4427","Chakraborty, Bimal Bhushan; Paul, Saurav; Anwar, Siddique; Choudhury, Sudip","2-Amino-4-(4-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile acetic acid monosolvate","IUCrData","2023","8","6","","","10.1107/S2414314623005588","","","0.71073","MoKα","","0.0705","0.0503","","","0.1396","0.1571","","","","","","1.061","","","","has coordinates","284744","2023-07-01","02:00:12","" "1569408","31.196","0.003","31.607","0.003","44.006","0.004","90","","91.733","0.002","90","","43371","7","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C432 H334 Ca24 Cl6 O186 -","- C432 H334 Ca24 Cl6 O200 -","- C864 H668 Ca48 Cl12 O400 -","2","0.5","","Sikligar, Kanishka; Kelley, Steven P.; Wagle, Durgesh V.; Ishtaweera, Piyuni; Baker, Gary A.; Atwood, Jerry L.","Nanocapsules of unprecedented internal volume seamed by calcium ions.","Chemical science","2023","14","34","9063","9067","10.1039/d3sc01629c","","","0.7749","synchrotron","","0.1893","0.1663","","","0.4734","0.5175","","","","","","2.606","","","","has coordinates,has disorder","286074","2023-09-05","19:23:06","" "1569409","36.2373","0.0012","36.2373","0.0012","36.2373","0.0012","90","","90","","90","","47585","3","100","","100","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C534 H732 Ca38 N24 Na24 O290 -","- C534 H534 Ca38 N24 Na24 O290 -","- C1068 H1068 Ca76 N48 Na48 O580 -","2","0.0208333","","Sikligar, Kanishka; Kelley, Steven P.; Wagle, Durgesh V.; Ishtaweera, Piyuni; Baker, Gary A.; Atwood, Jerry L.","Nanocapsules of unprecedented internal volume seamed by calcium ions.","Chemical science","2023","14","34","9063","9067","10.1039/d3sc01629c","","","1.54178","CuKα","","0.1333","0.1136","","","0.3689","0.4261","","","","","","2.184","","","","has coordinates,has disorder","286074","2023-09-05","19:23:07","" "1569410","8.0781","0.001","4.793","0.0006","18.345","0.002","90","","90.223","0.008","90","","710.28","0.15","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Leucopterin hemihydrate","","- C12 H12 N10 O7 -","- C12 H12 N10 O7 -","- C24 H24 N20 O14 -","2","0.5","LT5058","Bravetti, Federica; Tapmeyer, Lukas; Skorodumov, Kathrin; Alig, Edith; Habermehl, Stefan; Hühn, Robert; Bordignon, Simone; Gallo, Angelo; Nervi, Carlo; Chierotti, Michele R.; Schmidt, Martin U.","Leucopterin, the white pigment in butterfly wings: structural analysis by PDF fit, FIDEL fit, Rietveld refinement, solid-state NMR and DFT-D.","IUCrJ","2023","10","4","448","463","10.1107/S2052252523004281","","","1.54178","CuKα","","0.1461","0.1413","","","0.4417","0.4451","","","","","","2.411","","","","has coordinates","284769","2023-07-04","01:53:56","" "1569411","8.10257","0.0004","4.83656","0.00029","17.8289","0.0014","90","","88.531","0.0042","90","","698.46","0.08","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Leucopterin (variable hydrate) Remark: According to Rietveld refinement, the structure contains a partially occupied H2O molecule, which is represented by a single oxygen atom O1W. Its occupancy value Occ(O1W) = 0.421(8) corresponds to 0.17 H2O per leucopterin molecule. But this value is very uncertain (Powder data of limited quality). Hence, the water content of this structure should be regarded as being between 0 and 0.2 molecules of water per leucopterin molecule. The crystal structure and the tautomeric state were confirmed by DFT-D and SSNMR.","","","- C6 H5.34 N5 O3.17 -","- C6 H5 N5 O3.2106 -","- C24 H20 N20 O12.8424 -","4","1","LT5058","Bravetti, Federica; Tapmeyer, Lukas; Skorodumov, Kathrin; Alig, Edith; Habermehl, Stefan; Hühn, Robert; Bordignon, Simone; Gallo, Angelo; Nervi, Carlo; Chierotti, Michele R.; Schmidt, Martin U.","Leucopterin, the white pigment in butterfly wings: structural analysis by PDF fit, FIDEL fit, Rietveld refinement, solid-state NMR and DFT-D.","IUCrJ","2023","10","4","448","463","10.1107/S2052252523004281","powder diffraction","","1.54056","CuKα~1~","","0.01192","","","","","","","","1.591","","","","","","","has coordinates","287932","2023-12-01","13:55:15","" "1569412","35.5224","0.0006","14.9127","0.0002","30.922","0.0005","90","","102.4","0.002","90","","15998.3","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Benzyl Biaryl Alcohol-9-Methyl (absorbed in crystalline sponge)","(2',3',6'-trimethyl-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C53.14 H44.05 I6 N12 O1.01 Zn3 -","- C53.1402 H44.0508 I6.0002 N12 O1.0132 Zn3.0001 -","- C425.122 H352.406 I48.0016 N96 O8.1056 Zn24.0008 -","8","1","LT5059","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.0519","0.048","","","0.1424","0.1447","","","","","","1.163","","","","has coordinates,has disorder","284770","2023-07-04","02:00:11","" "1569413","35.6703","0.0005","14.9029","0.0002","30.5678","0.0006","90","","102.121","0.0015","90","","15887.3","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Benzyl Biaryl Alcohol (absorbed in crystalline sponge)","(2',6'-dimethyl-[1,1'-biphenyl]-2-yl)methanol (absorbed into crystalline sponge)","","- C55.92 H45.25 I6 N12 O1.33 Zn3 -","- C55.923 H45.2512 I6 N12 O1.3282 Zn3 -","- C447.384 H362.01 I48 N96 O10.6256 Zn24 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54178","CuKα","","0.0909","0.089","","","0.2098","0.2106","","","","","","1.208","","","","has coordinates,has disorder","284770","2023-07-04","02:00:17","" "1569414","14.8189","0.0003","19.1026","0.0003","31.814","0.0004","101.557","0.001","92.34","0.002","110.826","0.002","8184.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Benzyl Biaryl Alcohol-3-Methyl (absorbed in crystalline sponge)","(2',6,6'-trimethyl-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C53.17 H48.75 I6.01 N12 O0.62 Zn3.01 -","- C53.1649 H48.7479 I6.014 N12 O0.61485 Zn3.007 -","- C212.66 H194.992 I24.056 N48 O2.4594 Zn12.028 -","4","2","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.0772","0.0644","","","0.2018","0.2161","","","","","","1.034","","","","has coordinates,has disorder","284770","2023-07-04","02:00:17","" "1569415","35.62","0.002","14.9567","0.0003","30.9945","0.0016","90","","102.899","0.006","90","","16095.9","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Benzyl Biaryl Alcohol-10-Nitrile (absorbed in crystalline sponge)","2'-(hydroxymethyl)-2,6-dimethyl-[1,1'-biphenyl]-4-carbonitrile (absorbed in crystalline sponge)","","- C45.94 H34.64 I6 N12.54 O0.54 Zn3 -","- C45.9376 H34.6425 I5.9998 N12.5431 O0.5431 Zn2.9999 -","- C367.501 H277.14 I47.9984 N100.345 O4.3448 Zn23.9992 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.1468","0.128","","","0.3303","0.3424","","","","","","1.094","","","","has coordinates,has disorder","284770","2023-07-04","02:00:17","" "1569416","35.3379","0.0007","14.8649","0.0002","31.6259","0.0007","90","","102.979","0.002","90","","16188.5","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Phenyl Biaryl Alcohol-12-Methoxy (absorbed in crystalline sponge)","2'-methoxy-6'-methyl-[1,1'-biphenyl]-2-ol (absorbed in crystalline sponge)","","- C45.57 H34.77 I6 N12 O1.2 Zn3 -","- C45.5678 H34.7678 I6.0014 N12 O1.1954 Zn3.0007 -","- C364.542 H278.142 I48.0112 N96 O9.5632 Zn24.0056 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.0694","0.0637","","","0.2014","0.2097","","","","","","1.045","","","","has coordinates,has disorder","284770","2023-07-04","02:00:18","" "1569417","31.5077","0.0005","14.9991","0.0001","34.4289","0.0006","90","","102.086","0.001","90","","15910","0.4","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","Benzyl Biaryl Alcohol-8,12-Methoxy (absorbed in crystalline sponge)","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C50.67 H46.7 I6 N12 O1.42 Zn3 -","- C50.6748 H46.6996 I5.9998 N12 O1.425 Zn2.9999 -","- C405.398 H373.597 I47.9984 N96 O11.4 Zn23.9992 -","8","2","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.0851","0.0709","","","0.2087","0.2206","","","","","","1.057","","","","has coordinates,has disorder","284770","2023-07-04","02:00:18","" "1569418","34.533","0.003","15.0103","0.0009","30.9081","0.0014","90","","101.4","0.006","90","","15705.2","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Benzyl Biaryl Alcohol-8,10,12-Methoxy (absorbed in crystalline sponge)","(2',4',6'-trimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C54.39 H49.06 I6 N12 O3.35 Zn3 -","- C54.385 H49.0548 I6 N12 O3.3472 Zn3 -","- C435.08 H392.438 I48 N96 O26.7776 Zn24 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.1297","0.1172","","","0.2681","0.2736","","","","","","1.134","","","","has coordinates,has disorder","284770","2023-07-04","02:00:18","" "1569419","35.4079","0.0004","14.9066","0.0002","31.8633","0.0003","90","","103.664","0.001","90","","16341.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Phenyl Biaryl Alcohol (absorbed in crystalline sponge)","2'-methyl-[1,1'-biphenyl]-2-ol (absorbed in crystalline sponge)","","- C56.93 H43.09 I6.02 N12 O1.61 Zn3.01 -","- C56.9261 H43.2908 I6.0178 N12 O1.6097 Zn3.0089 -","- C455.409 H346.326 I48.1424 N96 O12.8776 Zn24.0712 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.0511","0.0488","","","0.1542","0.1568","","","","","","1.063","","","","has coordinates,has disorder","284770","2023-07-04","02:00:18","" "1569420","35.6889","0.0007","14.8458","0.0002","31.8064","0.0006","90","","103.685","0.002","90","","16373.6","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Phenyl Biaryl Alcohol-2-Fluorine (absorbed in crystalline sponge)","6-fluoro-2'-methyl-[1,1'-biphenyl]-2-ol (absorbed in crystalline sponge)","","- C44.23 H30.91 F0.63 I6 N12 O0.63 Zn3 -","- C44.229 H30.913 F0.633 I6.0014 N12 O0.633 Zn3.0007 -","- C353.832 H247.304 F5.064 I48.0112 N96 O5.064 Zn24.0056 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.066","0.0577","","","0.1849","0.1953","","","","","","1.031","","","","has coordinates,has disorder","284770","2023-07-04","02:00:18","" "1569421","35.7099","0.0002","14.85945","0.0001","31.593","0.00019","90","","103.011","0.0006","90","","16333.8","0.18","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Phenyl Biaryl Alcohol-2-Fluorine (absorbed in crystalline sponge)","5-fluoro-2'-methyl-[1,1'-biphenyl]-2-ol (absorbed in crystalline sponge)","","- C48.16 H34.29 F0.94 I6 N12 O0.94 Zn3 -","- C48.1654 H34.2938 F0.9358 I6.0018 N12 O0.9358 Zn3.0009 -","- C385.323 H274.35 F7.4864 I48.0144 N96 O7.4864 Zn24.0072 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.0495","0.0481","","","0.1533","0.155","","","","","","1.049","","","","has coordinates,has disorder","284770","2023-07-04","02:00:18","" "1569422","14.778","0.0005","18.2345","0.0005","30.797","0.0005","98.227","0.002","91.736","0.002","113.055","0.003","7523.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Phenyl Biaryl Alcohol-2,6-Iodine (absorbed in crystalline sponge)","3,5-diiodo-2'-methyl-[1,1'-biphenyl]-2-ol (absorbed in crystalline sponge)","","- C22.86 H16.22 I3.75 N6 O0.37 Zn1.5 -","- C22.8571 H16.2183 I3.74725 N6 O0.373625 Zn1.5 -","- C182.857 H129.746 I29.978 N48 O2.989 Zn12 -","8","4","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.1003","0.0922","","","0.2964","0.307","","","","","","1.356","","","","has coordinates,has disorder","284770","2023-07-04","02:00:18","" "1569423","35.5509","0.0006","14.9182","0.0003","30.8851","0.0005","90","","102.449","0.002","90","","15995","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Phenyl Biaryl Alcohol-2-Methyl (absorbed in crystalline sponge)","2',5-dimethyl-[1,1'-biphenyl]-2-ol (absorbed in crystalline sponge)","","- C49.98 H38.21 I6 N12 O Zn3 -","- C49.9816 H37.9808 I5.9998 N12 O0.9986 Zn2.9999 -","- C399.853 H303.846 I47.9984 N96 O7.9888 Zn23.9992 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54184","CuKα","","0.0635","0.058","","","0.1873","0.1913","","","","","","1.047","","","","has coordinates,has disorder","284770","2023-07-04","02:00:19","" "1569424","34.9529","0.0006","14.9266","0.0002","30.7318","0.0005","90","","101.777","0.002","90","","15696.1","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Phenyl Biaryl Alcohol-2-Phenyl (absorbed in crystalline sponge)","2''-methyl-[1,1':3',1''-terphenyl]-4'-ol (absorbed in crystalline sponge)","","- C48.24 H36.74 I6 N12 O0.53 Zn3 -","- C48.2403 H36.7392 I6.0008 N12 O0.5337 Zn3.0004 -","- C385.922 H293.914 I48.0064 N96 O4.2696 Zn24.0032 -","8","1","","Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.","A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges","IUCrJ","2023","10","4","497","508","10.1107/S2052252523005146","","x-ray","1.54178","CuKα","","0.0643","0.0587","","","0.1757","0.1807","","","","","","1.036","","","","has coordinates,has disorder","284770","2023-07-04","02:00:19","" "1569425","16.0157","0.0005","16.9055","0.0006","8.2684","0.0002","90","","90","","90","","2238.7","0.12","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C24 H30 N4 O3 -","- C24 H30 N4 O3 -","- C96 H120 N16 O12 -","4","0.5","","Yang, Zhaozheng; Esteve, Ferran; Antheaume, Cyril; Lehn, Jean-Marie","Dynamic covalent self-assembly and self-sorting processes in the formation of imine-based macrocycles and macrobicyclic cages.","Chemical science","2023","14","24","6631","6642","10.1039/d3sc01174g","","","0.71073","MoKα","","0.0513","0.0432","","","0.1117","0.1168","","","","","","1.054","","","","has coordinates","284771","2023-07-04","03:58:51","" "1569426","8.9175","0.0004","9.6423","0.0005","10.4108","0.0005","62.612","0.002","67.462","0.002","72.983","0.002","726.71","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H36 N4 O2 -","- C36 H36 N4 O2 -","- C36 H36 N4 O2 -","1","0.5","","Yang, Zhaozheng; Esteve, Ferran; Antheaume, Cyril; Lehn, Jean-Marie","Dynamic covalent self-assembly and self-sorting processes in the formation of imine-based macrocycles and macrobicyclic cages.","Chemical science","2023","14","24","6631","6642","10.1039/d3sc01174g","","","0.71073","MoKα","","0.0498","0.0394","","","0.1026","0.1104","","","","","","1.025","","","","has coordinates","284771","2023-07-04","03:58:52","" "1569427","12.9054","0.001","13.4545","0.0011","22.5621","0.0018","76.114","0.003","82.526","0.003","62.714","0.003","3379","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H69 Cl9 N8 -","- C75 H69 Cl9 N8 -","- C150 H138 Cl18 N16 -","2","1","","Yang, Zhaozheng; Esteve, Ferran; Antheaume, Cyril; Lehn, Jean-Marie","Dynamic covalent self-assembly and self-sorting processes in the formation of imine-based macrocycles and macrobicyclic cages.","Chemical science","2023","14","24","6631","6642","10.1039/d3sc01174g","","","0.71073","MoKα","","0.0831","0.0659","","","0.1778","0.1941","","","","","","1.031","","","","has coordinates","284771","2023-07-04","03:58:52","" "1569428","21.8313","0.0006","21.8313","0.0006","11.5605","0.0004","90","","90","","120","","4771.6","0.2","255","","255","","","","","","","","","5","P 65","P 65","170","","","","- C35 H31 N3 O4 S -","- C35 H31 N3 O4 S -","- C210 H186 N18 O24 S6 -","6","1","","Zhu, Xiaohan; Mi, Ruijie; Yin, Jie; Wang, Fen; Li, Xingwei","Rhodium-catalyzed atroposelective access to trisubstituted olefins via C-H bond olefination of diverse arenes.","Chemical science","2023","14","29","7999","8005","10.1039/d3sc02714g","","","1.54178","CuKα","","0.0274","0.0268","","","0.071","0.0715","","","","","","1.053","","","","has coordinates","286024","2023-09-05","19:02:22","" "1569429","9.1729","0.0004","15.6495","0.0007","19.844","0.0008","90","","90","","90","","2848.6","0.2","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H33 N O3 S -","- C34 H33 N O3 S -","- C136 H132 N4 O12 S4 -","4","1","","Zhu, Xiaohan; Mi, Ruijie; Yin, Jie; Wang, Fen; Li, Xingwei","Rhodium-catalyzed atroposelective access to trisubstituted olefins via C-H bond olefination of diverse arenes.","Chemical science","2023","14","29","7999","8005","10.1039/d3sc02714g","","","1.54178","CuKα","","0.0436","0.0424","","","0.118","0.1191","","","","","","1.051","","","","has coordinates","286024","2023-09-05","19:02:22","" "1569430","14.7897","0.0015","13.9358","0.0014","27.027","0.003","90","","103.411","0.004","90","","5418.5","1","153","","153","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C57 H54 Cl4 N2 O4 P Rh -","- C57 H54 Cl4 N2 O4 P Rh -","- C228 H216 Cl16 N8 O16 P4 Rh4 -","4","2","","Zhu, Xiaohan; Mi, Ruijie; Yin, Jie; Wang, Fen; Li, Xingwei","Rhodium-catalyzed atroposelective access to trisubstituted olefins via C-H bond olefination of diverse arenes.","Chemical science","2023","14","29","7999","8005","10.1039/d3sc02714g","","","1.54178","CuKα","","0.0527","0.0518","","","0.1319","0.1327","","","","","","1.061","","","","has coordinates","286024","2023-09-05","19:02:22","" "1569431","6.0808","0.0001","13.2575","0.0002","31.0012","0.0005","90","","90","","90","","2499.2","0.07","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl (1S,2S,4aS)-1,4a-dimethyl-7-nitro-2-(nitrooxy)-6-phenyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate","","- C26 H27 N2 O9 -","- C26 H27 N2 O9 -","- C104 H108 N8 O36 -","4","1","","Nandi, Rhituparna; Niyogi, Sovan; Kundu, Sourav; Gavit, Vipin R.; Munda, Mintu; Murmu, Ranjit; Bisai, Alakesh","Total synthesis of atropisomeric indolosesquiterpenoids via N-N bond formation: dixiamycins A and B.","Chemical science","2023","14","30","8047","8053","10.1039/d2sc07119c","","","1.54184","CuKα","","0.0861","0.0748","","","0.205","0.2139","","","","","","1.042","","","","has coordinates","286062","2023-09-05","19:18:51","" "1569432","12.5024","0.0001","16.6275","0.0002","17.2067","0.0002","100.567","0.001","109.891","0.001","104.994","0.001","3100.64","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H50 O37 Zr6 -","- C28 H50 O37 Zr6 -","- C56 H100 O74 Zr12 -","2","1","","Murali, Meenu; Bijani, Christian; Daran, Jean-Claude; Manoury, Eric; Poli, Rinaldo","Acetate exchange mechanism on a Zr12 oxo hydroxo cluster: relevance for reshaping Zr-carboxylate coordination adaptable networks.","Chemical science","2023","14","30","8152","8163","10.1039/d3sc02204h","","x-ray","1.54184","CuKα","","0.0395","0.037","","","0.1077","0.1097","","","","","","1.081","","","","has coordinates","286059","2023-09-05","19:18:15","" "1569433","24.0518","0.0001","24.0861","0.0001","24.122","0.0001","90","","90","","90","","13974.2","0.1","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C124 H98 Ag6 N16 P8 S4 -","- C124 H98 Ag6 N16 P8 S4 -","- C496 H392 Ag24 N64 P32 S16 -","4","1","","Wang, Shuaibo; He, Weimiao; Cui, Yujia; Zhou, Zhan; Ma, Lufang; Zang, Shuang-Quan","Atomically precise chiral silver clusters based on non-chiral ligands for acid/base stimulated luminescence response.","Nanoscale","2023","15","30","12679","12685","10.1039/d3nr03095d","","x-ray","1.54184","CuKα","","0.0388","0.0369","","","0.0983","0.0994","","","","","","1.04","","","","has coordinates","285467","2023-08-05","09:10:09","" "1569434","24.0142","0.0001","24.1415","0.0001","24.1607","0.0002","90","","90","","90","","14006.9","0.14","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C124 H98 Ag6 N16 P8 S4 -","- C124 H98 Ag6 N16 P8 S4 -","- C496 H392 Ag24 N64 P32 S16 -","4","1","","Wang, Shuaibo; He, Weimiao; Cui, Yujia; Zhou, Zhan; Ma, Lufang; Zang, Shuang-Quan","Atomically precise chiral silver clusters based on non-chiral ligands for acid/base stimulated luminescence response.","Nanoscale","2023","15","30","12679","12685","10.1039/d3nr03095d","","x-ray","1.54184","CuKα","","0.0462","0.0415","","","0.1176","0.1194","","","","","","1.029","","","","has coordinates","285467","2023-08-05","09:10:09","" "1569435","14.4279","0.0002","17.4914","0.0003","26.3185","0.0004","94.046","0.001","91.366","0.001","109.95","0.001","6219.58","0.17","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C124 H102 Ag5.95 N16 O2 P8 S4 -","- C124 H102 Ag5.95 N16 O2 P8 S4 -","- C248 H204 Ag11.9 N32 O4 P16 S8 -","2","1","","Wang, Shuaibo; He, Weimiao; Cui, Yujia; Zhou, Zhan; Ma, Lufang; Zang, Shuang-Quan","Atomically precise chiral silver clusters based on non-chiral ligands for acid/base stimulated luminescence response.","Nanoscale","2023","15","30","12679","12685","10.1039/d3nr03095d","","x-ray","1.54184","CuKα","","0.0934","0.0628","","","0.1452","0.1565","","","","","","1.063","","","","has coordinates,has disorder","285467","2023-08-05","09:10:09","" "1569436","9.7279","0.0018","12.109","0.002","16.102","0.003","87.019","0.007","89.242","0.007","70.646","0.006","1787.1","0.6","145","","145","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H51 N O9 -","- C38 H51 N O9 -","- C76 H102 N2 O18 -","2","1","","Xu, Xin; Yan, Bing","Bioinspired HOF-based luminescent skin sensor with triple mechanochromism responses for the recognition and collection of human biophysical signals.","Materials horizons","2023","10","6","2062","2074","10.1039/d3mh00096f","","","0.71073","MoKα","","0.1451","0.0843","","","0.1861","0.2186","","","","","","1.041","","","","has coordinates","284824","2023-07-05","08:00:03","" "1569437","11.2351","0.0002","14.8801","0.0002","12.565","0.0003","90","","103.108","0.002","90","","2045.88","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Cd2 N8 O12 -","- C32 H36 Cd2 N8 O12 -","- C64 H72 Cd4 N16 O24 -","2","0.5","","Soldin, Željka; Kukovec, Boris-Marko; Kovačić, Milica; Đaković, Marijana; Popović, Zora","The Anion Impact on Dimensionality of Cadmium(II) Complexes with Nicotinamide","Chemistry","2023","5","2","1357","1368","10.3390/chemistry5020092","","","0.71073","MoKα","","0.0549","0.0485","","","0.1667","0.1714","","","","","","1.084","","","","has coordinates","284986","2023-07-05","17:50:14","" "1569438","7.4629","0.0002","24.0425","0.0006","18.6052","0.0004","90","","92.373","0.002","90","","3335.41","0.14","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Cd Cl2 N8 O15 -","- C24 H30 Cd Cl2 N8 O15 -","- C96 H120 Cd4 Cl8 N32 O60 -","4","1","","Soldin, Željka; Kukovec, Boris-Marko; Kovačić, Milica; Đaković, Marijana; Popović, Zora","The Anion Impact on Dimensionality of Cadmium(II) Complexes with Nicotinamide","Chemistry","2023","5","2","1357","1368","10.3390/chemistry5020092","","","0.71073","MoKα","","0.045","0.0344","","","0.097","0.1002","","","","","","1.048","","","","has coordinates","284987","2023-07-05","17:50:48","" "1569439","7.5524","0.0001","12.9826","0.0002","16.088","0.0002","90","","92.296","0.001","90","","1576.16","0.04","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cd Cl2 N8 O12 -","- C24 H24 Cd Cl2 N8 O12 -","- C48 H48 Cd2 Cl4 N16 O24 -","2","0.5","","Soldin, Željka; Kukovec, Boris-Marko; Kovačić, Milica; Đaković, Marijana; Popović, Zora","The Anion Impact on Dimensionality of Cadmium(II) Complexes with Nicotinamide","Chemistry","2023","5","2","1357","1368","10.3390/chemistry5020092","","","0.71073","MoKα","","0.0457","0.0331","","","0.0918","0.0956","","","","","","1.076","","","","has coordinates","284988","2023-07-05","17:56:21","" "1569440","9.4337","0.0003","19.5412","0.0006","10.7349","0.0003","90","","100.794","0.003","90","","1943.92","0.1","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 N3 Si -","- C7 H13 N3 Si -","- C56 H104 N24 Si8 -","8","2","","Herbig, Marcus; Kroke, Edwin; Wagler, Jörg","Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines","Crystals","2023","13","7","990","","10.3390/cryst13070990","","","0.71073","MoKα","","0.0495","0.0367","","","0.0876","0.0957","","","","","","1.097","","","","has coordinates","284989","2023-07-05","18:38:08","" "1569441","8.6757","0.0004","8.874","0.0004","9.0989","0.0004","64.211","0.003","75.463","0.003","79.194","0.003","608.08","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 N6 Si -","- C10 H14 N6 Si -","- C20 H28 N12 Si2 -","2","1","","Herbig, Marcus; Kroke, Edwin; Wagler, Jörg","Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines","Crystals","2023","13","7","990","","10.3390/cryst13070990","","","0.71073","MoKα","","0.0336","0.0308","","","0.077","0.0792","","","","","","1.08","","","","has coordinates","284989","2023-07-05","18:38:09","" "1569442","10.064","0.0003","11.1921","0.0003","18.6757","0.0005","72.898","0.002","89","0.002","63.346","0.002","1780.7","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 N18 O Si2 -","- C30 H38 N18 O Si2 -","- C60 H76 N36 O2 Si4 -","2","1","","Herbig, Marcus; Kroke, Edwin; Wagler, Jörg","Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines","Crystals","2023","13","7","990","","10.3390/cryst13070990","","","0.71073","MoKα","","0.0462","0.0385","","","0.0959","0.1019","","","","","","1.063","","","","has coordinates,has disorder","284989","2023-07-05","18:38:09","" "1569443","15.9611","0.0002","21.1674","0.0003","22.6832","0.0003","90","","97.74","0.001","90","","7593.81","0.18","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N12 O Si -","- C23 H24 N12 O Si -","- C276 H288 N144 O12 Si12 -","12","3","","Herbig, Marcus; Kroke, Edwin; Wagler, Jörg","Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines","Crystals","2023","13","7","990","","10.3390/cryst13070990","","","0.71073","MoKα","","0.0506","0.0407","","","0.0939","0.101","","","","","","1.108","","","","has coordinates,has disorder","284989","2023-07-05","18:38:09","" "1569444","11.0242","0.0003","16.5074","0.0004","11.0507","0.0002","90","","97.688","0.002","90","","1992.94","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cl N4 S -","- C22 H19 Cl N4 S -","- C88 H76 Cl4 N16 S4 -","4","1","","Salama, Eid E.; Youssef, Mohamed F.; Boraei, Ahmed T. A.; Haukka, Matti; Soliman, Saied M.; Barakat, Assem; Sarhan, Ahmed A. M.","Base-Controlled Regiospecific Mono-Benzylation/Allylation and Diallylation of 4-Aryl-5-indolyl-1,2,4-triazole-3-thione: Thio-Aza Allyl Rearrangement","Crystals","2023","13","7","992","","10.3390/cryst13070992","","","0.71073","MoKα","","0.0671","0.0461","","","0.1106","0.123","","","","","","1.037","","","","has coordinates,has disorder","284990","2023-07-05","18:38:50","" "1569445","12.1537","0.0005","12.8679","0.0005","15.0994","0.0005","70.272","0.003","69.417","0.003","67.402","0.004","1984.17","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 Cl N4 S -","- C23 H17 Cl N4 S -","- C92 H68 Cl4 N16 S4 -","4","2","","Salama, Eid E.; Youssef, Mohamed F.; Boraei, Ahmed T. A.; Haukka, Matti; Soliman, Saied M.; Barakat, Assem; Sarhan, Ahmed A. M.","Base-Controlled Regiospecific Mono-Benzylation/Allylation and Diallylation of 4-Aryl-5-indolyl-1,2,4-triazole-3-thione: Thio-Aza Allyl Rearrangement","Crystals","2023","13","7","992","","10.3390/cryst13070992","","","1.54184","CuKα","","0.0344","0.0296","","","0.0747","0.078","","","","","","1.034","","","","has coordinates","284991","2023-07-05","18:39:15","" "1569446","22.0253","0.0007","14.2617","0.0005","22.4081","0.0008","90","","119.274","0.001","90","","6139.9","0.4","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73.5 H70.26 B2 N4.75 O2 Ru S2 -","- C73.504 H70.256 B2 N4.752 O2 Ru S2 -","- C294.016 H281.024 B8 N19.008 O8 Ru4 S8 -","4","1","","Marr, Zoe Y.; Thapa Magar, Rajani; Fournier, Bertrand; Benedict, Jason B.; Rack, Jeffrey J.","Photocrystallography of [Ru(bpy)2(dmso)2]2+ reveals an O-bonded metastable state","Chemical Science","2023","14","26","7279","7284","10.1039/D3SC01526B","","","0.71073","MoKα","","0.064","0.0436","","","0.1025","0.1123","","","","","","1.037","","","","has coordinates,has disorder","284996","2023-07-05","22:12:52","" "1569447","22.0479","0.0008","14.2689","0.0006","22.3824","0.0009","90","","119.173","0.001","90","","6148.3","0.4","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73.51 H70.28 B2 N4.76 O2 Ru S2 -","- C73.516 H70.274 B2 N4.758 O2 Ru S2 -","- C294.064 H281.096 B8 N19.032 O8 Ru4 S8 -","4","1","","Marr, Zoe Y.; Thapa Magar, Rajani; Fournier, Bertrand; Benedict, Jason B.; Rack, Jeffrey J.","Photocrystallography of [Ru(bpy)2(dmso)2]2+ reveals an O-bonded metastable state","Chemical Science","2023","14","26","7279","7284","10.1039/D3SC01526B","","","0.71073","MoKα","","0.0583","0.041","","","0.1018","0.1091","","","","","","1.027","","","","has coordinates,has disorder","284996","2023-07-05","22:13:05","" "1569448","22.0415","0.0009","14.2574","0.0006","22.4105","0.0009","90","","119.253","0.001","90","","6144.5","0.4","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73.5 H70.1 B2 N4.75 O2 Ru S2 -","- C73.502 H70.097 B2 N4.751 O2 Ru S2 -","- C294.008 H280.388 B8 N19.004 O8 Ru4 S8 -","4","1","","Marr, Zoe Y.; Thapa Magar, Rajani; Fournier, Bertrand; Benedict, Jason B.; Rack, Jeffrey J.","Photocrystallography of [Ru(bpy)2(dmso)2]2+ reveals an O-bonded metastable state","Chemical Science","2023","14","26","7279","7284","10.1039/D3SC01526B","","","0.71073","MoKα","","0.0566","0.0413","","","0.0975","0.1046","","","","","","1.051","","","","has coordinates,has disorder","284996","2023-07-05","22:13:05","" "1569449","12.7641","0.0004","57.5684","0.0016","36.0789","0.0011","90","","94.785","0.001","90","","26418.7","1.4","180","","180","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C115 H124 O24 S8 Tb4 -","- C115 H124 O24 S8 Tb4 -","- C920 H992 O192 S64 Tb32 -","8","1","","Wang, Hao; Zhu, Zhenhua; La Droitte, Léo; Liao, Wuping; Cador, Olivier; Le Guennic, Boris; Tang, Jinkui","Toroidal moment and dynamical control in luminescent 1D and 3D terbium calixarene compounds","Chemical Science","2023","14","26","7208","7214","10.1039/D3SC00541K","","","1.54178","CuKα","","0.0643","0.0462","","","0.1107","0.1254","","","","","","1.057","","","","has coordinates","284997","2023-07-05","22:14:20","" "1569450","19.1485","0.0007","19.6598","0.0006","21.4502","0.0007","90.609","0.002","111.829","0.002","90.189","0.002","7495.4","0.4","179","","179","","","","","","","","","6","P -1","-P 1",