# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T23:35:00+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'A e a 2' 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
"1539126","10.361","","10.263","","6.89","","90","","90","","90","","732.648","","","","","","","","","","","","","5","A e a 2","A 2 -2ab","41","","Na2 Nb F5 O2 (H2 O)2","","- F5 H4 Na2 Nb O4 -","- F5 Na2 Nb O4 -","- F20 Na8 Nb4 O16 -","4","0.5","","Stomberg, R.","The crystal structure of sodium pentafluoroperoxoniobate (V) dihydrate, Na2 (Nb F5 (O2)) (H2 O)2","Acta Chemica Scandinavica, Series A: (28,1974-)","1981","35","","489","495","","","","","","","","","","","","","","","","","","","","","","has coordinates","282761","2023-04-20","06:45:56",""
"1541172","14.652","","14.6491","","7.782","","90","","90","","90","","1670.32","","","","","","","","","","","","","5","A e a 2","A 2 -2ab","41","","Hg Pb2 O (O H) Br3","","- Br3 H Hg O2 Pb2 -","- Br3 Hg O2 Pb2 -","- Br24 Hg8 O16 Pb16 -","8","1","","Riebe, H.J.; Keller, H.L.","Darstellung und Kristallstruktur von Hg Pb2 O (O H) Br3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","574","","191","198","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1548079","27.6082","0.0004","23.0173","0.0004","24.3319","0.0004","90","","90","","90","","15462.1","0.4","173","","173","","","","","","","","Lab 312, RCS1, Imperial College London","5","A e a 2","A 2 -2ab","41","","Zn11Et10O4(DPPA)4","","- C68 H90 O12 P4 Zn11 -","- C68 H90 O12 P4 Zn11 -","- C544 H720 O96 P32 Zn88 -","8","1","","Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams","Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles","Nature Communications","2016","7","","13008","","10.1038/ncomms13008","","","0.71073","MoKα","","0.0443","0.0334","","0.0767","0.0719","0.0767","","","","","","0.9947","","","","has coordinates","203262","2020-10-21","18:00:00",""
"1552047","17.3865","0.001","25.0127","0.0011","15.0576","0.0011","90","","90","","90","","6548.3","0.7","120","2","120","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C88 H56 Fe2 N9 -","- C88 H56 Fe2 N9 -","- C352 H224 Fe8 N36 -","4","0.5","","Evgeny V. Kudrik; Pavel Afanasiev; Leonardo X. Alvarez; Patrick Dubourdeaux; Martin Clemancey; Jean-Marc Latour; Genevieve Blondin; Denis Bouchu; Florian Albrieux; Sergey E. Nefedov; Alexander B. Sorokin","An N-bridged high-valent diiron-oxo species on a porphyrin platform that can oxidize methane","Nature Chemistry","2012","4","","1024","1029","10.1038/nchem.1471","","","0.71073","MoKα","","0.0605","0.0439","","","0.0805","0.0856","","","","","","0.881","","","","has coordinates","216865","2020-10-21","18:00:00",""
"1553642","12.2491","0.0009","35.949","0.003","13.088","0.0013","90","","90","","90","","5763.2","0.9","100.02","0.18","100.02","0.18","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- C18 H19 N3 -","- C18 H19 N3 -","- C288 H304 N48 -","16","2","","Zhang, Yun; Xue, Yibin; Li, Gang; Yuan, Haosen; Luo, Tuoping","Enantioselective synthesis of <i>Iboga</i> alkaloids and vinblastine <i>via</i> rearrangements of quaternary ammoniums.","Chemical science","2016","7","8","5530","5536","10.1039/c6sc00932h","","","0.71073","MoKα","","0.0576","0.0459","","","0.1079","0.116","","","","","","1.066","","","","has coordinates","235356","2020-10-21","18:00:00",""
"1554492","27.38","0.03","26.9","0.03","24.03","0.03","90","","90","","90","","17699","4","296","2","296","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C70 H56 Ag5 Cl2 N6 P4 -","- C70 H56 Ag5 Cl2 N6 P4 -","- C560 H448 Ag40 Cl16 N48 P32 -","8","1","","Zhao, Mingzhu; Cai, Juewang; Zhao, Xiaoming","Silver-promoted selective fluorination of 2-aminopyrimidines: synthesis of 5-fluoro-2-aminopyrimidine derivatives","Organic Chemistry Frontiers","2019","6","4","426","","10.1039/C8QO01054D","","","0.71073","MoKα","","0.0794","0.0647","","","0.1672","0.1826","","","","","","1.112","","","","has coordinates,has disorder","237278","2020-10-21","18:00:00",""
"1556254","30.9982","0.0004","11.381","0.0001","11.1291","0.0001","90","","90","","90","","3926.24","0.07","130","0.1","130","0.1","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C16 H30 O3 Si2 -","- C16 H30 O3 Si2 -","- C128 H240 O24 Si16 -","8","1","","Bender, Tobias; Loits, Darran; White, Jonathan M.; Rizzacasa, Mark A.","Synthesis of the C1-C18 fragment of rhizopodin: late-state introduction of the oxazole.","Organic letters","2014","16","5","1450","1453","10.1021/ol500261n","","","1.5418","CuKα","","0.0309","0.03","","","0.0777","0.0785","","","","","","1.077","","","","has coordinates,has disorder","243600","2020-10-21","18:00:00",""
"1556859","11.4176","0.001","13.5604","0.0012","16.3722","0.0015","90","","90","","90","","2534.9","0.4","100","2","100.15","","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C120 H128 N16 O16 -","8","1","","Wen, Jin; Turowski, Michał; Dron, Paul I.; Chalupský, Jakub; Grotjahn, Robin; Maier, Toni M.; Fatur, Steven M.; Havlas, Zdeněk; Johnson, Justin C.; Kaupp, Martin; Michl, Josef","Electronic States of 2,3-Diamino-1,4-naphthoquinone and Its N-Alkylated Derivatives","The Journal of Physical Chemistry C","2019","","","","","10.1021/acs.jpcc.9b08955","","","0.71073","MoKα","","0.0286","0.0282","","","0.0756","0.0761","","","","","","1.059","","","","has coordinates","246349","2020-10-21","18:00:00",""
"1558646","25.104","0.0008","18.4374","0.0008","17.7897","0.0005","90","","90","","90","","8234","0.5","173","2","173","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C45.5 H56 Al F3 N2 -","- C45.5 H56 Al F3 N2 -","- C364 H448 Al8 F24 N16 -","8","1","","Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard","Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity","Chemical Science","2020","","","","","10.1039/D0SC01915A","","","0.71073","MoKα","","0.0454","0.0353","","","0.0796","0.085","","","","","","1.023","","","","has coordinates,has disorder","254450","2020-10-21","18:00:00",""
"1559826","8.9095","0.0004","41.3302","0.0017","26.6661","0.0011","90","","90","","90","","9819.3","0.7","200","2","200.02","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C104 H100 Ag2 B2 N8 -","- C104 H100 Ag2 B2 N8 -","- C416 H400 Ag8 B8 N32 -","4","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.0453","0.0361","","","0.087","0.0931","","","","","","1.051","","","","has coordinates,has disorder","267086","2021-07-05","16:54:54",""
"1560680","13.48","0.004","13.79","0.004","13.99","0.004","90","","90","","90","","2600.6","1.3","293","2","293","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- Ga S9 Sb Y4 -","- Ga S9 Sb Y4 -","- Ga8 S72 Sb8 Y32 -","8","1","","Wang, Yue; Zou, Xiaochuan; Feng, Xia; Shi, Yongfang; Wu, Liming","Quaternary non-centrosymmetric sulfide Y 4 GaSbS 9 : Syntheses, structures, optical properties and theoretical studies","Journal of Solid State Chemistry","2017","245","","110","114","10.1016/j.jssc.2016.10.012","","","0.71073","MoKα","","0.0214","0.0192","","","0.0314","0.0321","","","","","","0.901","","","","has coordinates","262259","2021-02-26","10:09:44",""
"1561546","13.8834","0.0009","14.3004","0.0011","14.4102","0.0013","90","","90","","90","","2861","0.4","293","2","293","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- Ce4 Ga S9 Sb -","- Ce4 Ga S9 Sb -","- Ce32 Ga8 S72 Sb8 -","8","1","","Zhao, Hua-Jun","Centrosymmetry vs noncentrosymmetry in La2Ga0.33SbS5 and Ce4GaSbS9 based on the interesting size effects of lanthanides: Syntheses, crystal structures, and optical properties","Journal of Solid State Chemistry","2016","237","","99","104","10.1016/j.jssc.2016.01.021","","","0.71073","MoKα","","0.0217","0.0205","","","0.0343","0.0348","","","","","","1.017","","","","has coordinates","263948","2021-04-07","09:02:26",""
"1561617","14.373","0.002","38.22","0.005","9.0099","0.0012","90","","90","","90","","4949.5","1.2","296","2","296","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C20 H19 Cd1.5 N4 O10 S -","- C20 H19 Cd1.5 N4 O10 S -","- C160 H152 Cd12 N32 O80 S8 -","8","1","","Ren, Yixia; Chai, Hongmei; Tang, Long; Hou, Xiangyang; Wang, Jijiang","Structural diversity and fluorescence properties of three 2-sulfoterephthalate CdII/ZnII coordination polymers employing 1,4-bisbenzimidazole","Journal of Solid State Chemistry","2016","234","","103","109","10.1016/j.jssc.2015.12.001","","","0.71073","MoKα","","0.0208","0.0184","","","0.047","0.0573","","","","","","1.127","","","","has coordinates","264015","2021-04-09","08:52:55",""
"1561713","15.6909","0.0008","43.795","0.002","7.7177","0.0004","90","","90","","90","","5303.5","0.5","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C32 H27 N O5 Zn -","- C32 H27 N O5 Zn -","- C256 H216 N8 O40 Zn8 -","8","1","","Li, Liang; Wang, Zihao; Chen, Qiang; Zhou, Xinhui; yang, Tao; Zhao, Qiang; Huang, Wei","Coordination polymers assembled from semirigid fluorene-based ligand: A couple of enantiomers","Journal of Solid State Chemistry","2015","231","","47","52","10.1016/j.jssc.2015.08.003","","","0.71073","MoKα","","0.0565","0.0405","","","0.0784","0.0845","","","","","","1.005","","","","has coordinates","264121","2021-04-14","07:11:13",""
"1563936","15.9969","0.0018","21.6823","0.0019","7.5937","0.0009","90","","90","","90","","2633.9","0.5","200.05","0.1","200.05","0.1","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C32 H22 N4 O4 Zn -","- C32 H22 N4 O4 Zn -","- C128 H88 N16 O16 Zn4 -","4","0.5","","Bejan, Dana; Bahrin, Lucian Gabriel; Shova, Sergiu; Sardaru, Monica; Clima, Lilia; Nicolescu, Alina; Marangoci, Narcisa; Lozan, Vasile; Janiak, Christoph","Spontaneous resolution of non-centrosymmetric coordination polymers of zinc(II) with achiral imidazole-biphenyl-carboxylate ligands","Inorganica Chimica Acta","2018","482","","275","283","10.1016/j.ica.2018.05.024","","x-ray","0.71073","MoKα","","0.0606","0.0525","","","0.1114","0.1154","","","","","","1.072","","","","has coordinates","266993","2021-07-05","10:14:47",""
"1563988","10.9938","0.0009","25.635","0.003","11.8497","0.001","90","","90","","90","","3339.6","0.6","296","2","296","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C40 H30 Cd N2 O4 -","- C40 H30 Cd N2 O4 -","- C160 H120 Cd4 N8 O16 -","4","0.5","","Marandi, Farzin; Moeini, Keyvan; Alizadeh, Fereshteh; Mardani, Zahra; Quah, Ching Kheng; Loh, Wan-Sin; Woollins, J. Derek","Treatment of cadmium(II) and zinc(II) with N2-donor linkages in presence of β-diketone ligand; supported by structural, spectral, theoretical and docking studies","Inorganica Chimica Acta","2018","482","","717","725","10.1016/j.ica.2018.07.014","","","0.71073","MoKα","","0.0369","0.0265","","","0.0628","0.0691","","","","","","1.047","","","","has coordinates","267295","2021-07-06","09:31:40",""
"1564008","14.82","0.0008","32.601","0.003","19.2529","0.0012","90","","90","","90","","9302","1.1","150","0.1","150","0.1","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C36 H27 N12 O12 Zn2 -","- C36 H27 N12 O12 Zn2 -","- C288 H216 N96 O96 Zn16 -","8","1","","Li, Ling; Deng, Zhao-Yang; Xie, Xin; Zou, Ji-Yong; You, Sheng-Yong; Chen, Kai-Hong; Le, Jin-Feng","A luminescent zinc(II) coordination polymer as a highly selective and sensitive chemosensor for Fe(III) cation and Cr(VI) anions detection in aqueous solution","Inorganica Chimica Acta","2020","513","","119940","","10.1016/j.ica.2020.119940","","x-ray","1.54184","CuKα","","0.1481","0.134","","","0.3285","0.349","","","","","","1.057","","","","has coordinates,has disorder","267336","2021-07-07","09:14:13",""
"1564544","11.0579","0.001","11.1695","0.001","9.0504","0.0009","90","","90","","90","","1117.83","0.18","296","","296","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C4 H4 B K O12 -","- C4 H4 B K O12 -","- C16 H16 B4 K4 O48 -","4","0.5","","TOMBUL, Mustafa; TÜRKMENOGLU, Elmas; SAHIN, Onur","Unprecedented Formation of Potassium Borate Based Carbonate from Chloral Hydrate, Potassium Carbonate and Boric Acid","X-ray Structure Analysis Online","2021","37","0","45","47","10.2116/xraystruct.37.45","","","0.71073","MoKα","","0.0598","0.0577","","","0.1672","0.1686","","","","","","1.062","","","","has coordinates","268973","2021-09-06","12:51:36",""
"1565426","12.6535","0.0005","21.2265","0.0009","15.7104","0.0006","90","","90","","90","","4219.6","0.3","296","2","296.15","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C16 H22 B9 N O -","- C16 H22 B9 N O -","- C128 H176 B72 N8 O8 -","8","1","","Cao, Hou-Ji; Wei, Xing; Sun, Fangxiang; Zhang, Xiaolei; Lu, Changsheng; Yan, Hong","Metal-catalyzed B–H acylmethylation of pyridylcarboranes: access to carborane-fused indoliziniums and quinoliziniums","Chemical Science","2021","","","","","10.1039/D1SC05296A","","x-ray","0.71073","MoKα","","0.071","0.0597","","","0.1577","0.1661","","","","","","1.05","","","","has coordinates","270917","2021-11-29","23:19:39",""
"1565797","11.1083","0.0005","39.2626","0.0019","8.5567","0.0005","90","","90","","90","","3731.9","0.3","296","2","296","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C42 H39 Cu N2 O11 -","- C42 H37 Cu N2 O11 -","- C168 H148 Cu4 N8 O44 -","4","0.5","","Azmi, Nurul I.; Zhan, Shun-Ze; Li, Jing-Hong; Razali, Mohd. R.","Metal complexes based on substituted aliphatic acid derived from a Diels-Alder adduct: Synthesis and potential ratiometric luminescent temperature sensor of d10 complex","Inorganica Chimica Acta","2019","498","","119167","","10.1016/j.ica.2019.119167","","","0.71073","MoKα","","0.0456","0.0417","","","0.1065","0.1103","","","","","","1.151","","","","has coordinates,has disorder","271523","2021-12-20","10:09:47",""
"1566057","27.1599","0.001","26.0222","0.0008","6.0047","0.0002","90","","90","","90","","4243.9","0.2","293","2","293","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C20 H12 Co N Na O7 -","- C20 H12 Co N Na O7 -","- C160 H96 Co8 N8 Na8 O56 -","8","1","","Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping","Syntheses, structures, luminescence and CO2 gas adsorption properties of four three-dimensional heterobimetallic metal–organic frameworks","Journal of Solid State Chemistry","2022","305","","122672","","10.1016/j.jssc.2021.122672","","","1.54184","CuKα","","0.0774","0.071","","","0.2345","0.2414","","","","","","1.139","","","","has coordinates","272152","2022-01-20","09:07:04",""
"1566058","27.0821","0.0004","25.8325","0.0004","5.97853","0.00009","90","","90","","90","","4182.57","0.11","293","2","293","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C20 H12 N Na Ni O7 -","- C20 H12 N Na Ni O7 -","- C160 H96 N8 Na8 Ni8 O56 -","8","1","","Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping","Syntheses, structures, luminescence and CO2 gas adsorption properties of four three-dimensional heterobimetallic metal–organic frameworks","Journal of Solid State Chemistry","2022","305","","122672","","10.1016/j.jssc.2021.122672","","","1.54184","CuKα","","0.0314","0.0304","","","0.0884","0.0893","","","","","","1.119","","","","has coordinates","272152","2022-01-20","09:07:05",""
"2020381","11.302","","10.962","","9.335","","90","","90","","90","","1156.54","","","","","","","","","","","","","4","A e a 2","A 2 -2ab","41","","Rb B5 O6 (O H)4 (H2 O)2","","- B5 H8 O12 Rb -","- B5 H8 O12 Rb -","- B20 H32 O48 Rb4 -","4","0.5","","Behm, H.","Rubidium Pentaborate Tetrahydrate, Rb (B5 O6 (O H)4) (H2 O)2","Acta Crystallographica C (39,1983-)","1984","40","","217","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106226","9.224","","15.805","","6.747","","90","","90","","90","","983.614","","","","","","","","","","","","","4","A e a 2","A 2 -2ab","41","","Na2 C O3 (H2 O2)1.5","","- C H3 Na2 O6 -","- C Na2 O6 -","- C8 Na16 O48 -","8","1","","Adams, J.M.; Pritchard, R.G.","The crystal structure of sodium percarbonate: An unusual layered solid","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3650","3653","","","","","","","","","","","","","","","","","","","","","","has coordinates","283803","2023-05-16","08:05:53",""
"2243731","12.6654","0.0001","17.6394","0.00018","10.888","0.00011","90","","90","","90","","2432.49","0.04","108","2","108","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","Bis{2-hydroxy-<i>N</i>'-[1-(pyrazin-2-yl)ethylidene]benzohydrazidato}cadmium(II)","","- C26 H22 Cd N8 O4 -","- C26 H22 Cd N8 O4 -","- C104 H88 Cd4 N32 O16 -","4","0.5","ZL5004","Yang, Ping; Xie, Xiao-Bao; Shi, Qing-Shan","Crystal structure of bis{2-hydroxy-<i>N</i>'-[1-(pyrazin-2-yl)ethylidene]benzohydrazidato}cadmium(II)","Acta Crystallographica Section E","2021","77","2","153","157","10.1107/S2056989021000657","","","1.54178","CuKα","","0.0258","0.0257","","","0.0748","0.0749","","","","","","1.201","","","","has coordinates,has Fobs","261170","2021-01-23","06:14:11",""
"2244196","12.6854","0.001","26.315","0.002","10.6511","0.0007","90","","90","","90","","3555.5","0.5","180","0.1","180","0.1","","","","","","","","5","A e a 2","A 2 -2ab","41","","Bis{3-(3,4-dimethylphenyl)-5-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-4<i>H</i>-1,2,4-triazol-4-ido}iron(II) methanol disolvate","","- C38 H38 Fe N12 O2 -","- C38 H38 Fe N12 O2 -","- C152 H152 Fe4 N48 O8 -","4","0.5","YZ2021","Znovjyak, Kateryna; Fritsky, Igor O.; Sliva, Tatiana Y.; Amirkhanov, Vladimir M.; Malinkin, Sergey O.; Shova, Sergiu; Seredyuk, Maksym","Crystal structure of bis{3-(3,4-dimethylphenyl)-5-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-4<i>H</i>-1,2,4-triazol-4-ido}iron(II) methanol disolvate","Acta Crystallographica Section E","2022","78","11","","","10.1107/S2056989022009744","","x-ray","0.71073","MoKα","","0.0926","0.0608","","","0.0874","0.0995","","","","","","1.002","","","","has coordinates,has Fobs","278544","2022-10-12","02:10:33",""
"2311212","7.7957","0.0015","27.916","0.006","8.2701","0.0017","90","","90","","90","","1799.8","0.6","150","2","150","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","Bis(4-aminobenzenesulfonamide-κ<i>N</i>^4^)dichloridozinc","","- C12 H16 Cl2 N4 O4 S2 Zn -","- C12 H16 Cl2 N4 O4 S2 Zn -","- C48 H64 Cl8 N16 O16 S8 Zn4 -","4","0.5","LH5676","Benmebarek, Sabrina; Boudraa, Mhamed; Bouacida, Sofiane; Merazig, Hocine; Dénès, George","Bis(4-amino-benzene-sulfonamide-κN (4))di-chlorido-zinc.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 1","m28","9","10.1107/S160053681303417X","","","0.71073","MoKα","","0.0698","0.0403","","","0.0584","0.0666","","","","","","0.995","","","","has coordinates","245685","2020-10-21","18:00:00",""
"2311292","12.4859","0.0017","14.3697","0.0019","7.732","0.001","90","","90","","90","","1387.3","0.3","120","2","120.15","","","","","","","","","4","A e a 2","A 2 -2ab","41","2,6-Dimethyl-4-pyridone hemihydrate","2,6-Dimethyl-1<i>H</i>-pyridin-4-one hemihydrate","","- C7 H10 N O1.5 -","- C7 H10 N O1.5 -","- C56 H80 N8 O12 -","8","1","FF2139","Nguyen, Dalena M.; Desikan, Vasumathi; Golen, James A.; Manke, David R.","Crystal structure of 2,6-dimethyl-4-pyridone hemihydrate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 8","o533","","10.1107/S2056989015012402","","","1.54178","CuKα","","0.0306","0.0304","","","0.078","0.0782","","","","","","1.092","","","","has coordinates","245764","2020-10-21","18:00:00",""
"2311312","15.337","0.006","21.94","0.008","6.808","0.003","90","","90","","90","","2290.8","1.6","100","2","100","","","","","","","","","4","A e a 2","A 2 -2ab","41","","2-(Pyrrolidine-1-carbonyl)-4<i>H</i>-chromen-4-one","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C112 H104 N8 O24 -","8","1","","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Borges, Fernanda","A comparison of the structures of some 2- and 3-substituted chromone derivatives: a structural study on the importance of the secondary carboxamide backbone for the inhibitory activity of MAO-B.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","1270","1277","10.1107/S2056989015017958","","","0.71075","Mokα","","0.0555","0.0477","","","0.0978","0.102","","","","","","1.112","","","","has coordinates","245783","2020-10-21","18:00:00",""
"2311859","18.2186","0.0004","20.0166","0.0004","7.2534","0.0002","90","","90","","90","","2645.13","0.11","100","2","100","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","Bis(benzo[<i>b</i>]thiophen-2-yl)methanone","","- C17 H10 O S2 -","- C17 H10 O S2 -","- C136 H80 O8 S16 -","8","1","EG3204","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystal structures of functional building blocks derived from bis(benzo[b]thiophen-2-yl)methane.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 9","679","684","10.1107/S2053229616012973","","","0.71073","MoKα","","0.0259","0.0252","","","0.0668","0.0671","","","","","","0.992","","","","has coordinates","246143","2020-10-21","18:00:00",""
"2311868","24.725","0.003","14.7026","0.0018","15.8325","0.0019","90","","90","","90","","5755.5","1.2","100","2","100.01","","","","","","","","","6","A e a 2","A 2 -2ab","41","","Tetrakis(4-ethenylpyridine-κ<i>N</i>)lithium(I) hexafluoridophosphate","","- C28 H28 F6 Li N4 P -","- C28 H28 F6 Li N4 P -","- C224 H224 F48 Li8 N32 P8 -","8","1","","Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J.","Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C<sub>5</sub>H<sub>5</sub>N)LiPF<sub>6</sub>, [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]LiPF<sub>6</sub>, [(C<sub>5</sub>H<sub>5</sub>N)LiCl]<sub>n</sub>, and [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>Li(μ-Cl)<sub>2</sub>Li[p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 3","264","269","10.1107/S205322961700064X","","","0.71073","MoKα","","0.0468","0.0383","","","0.0921","0.098","","","","","","1.067","","","","has coordinates,has disorder","246146","2020-10-21","18:00:00",""
"3500083","10.0773","0.0011","10.0124","0.0011","26.219","0.003","90","","90","","90","","2645.4","0.5","150","","150","","","","","","","","Synthesized by the authors. See text","4","A e a 2","A 2 -2ab","41","tetrahexylammonium iodide","","","- C24 H52 I N -","- C24 H52 I N -","- C96 H208 I4 N4 -","4","0.5","","Thierry Maris","Tetrahexylammonium Iodide","Personal communication to COD","2019","","","","","","","","1.54178","CuKα","","0.0689","0.0603","","","0.1736","0.1833","","","","","","1.173","","","","has coordinates,has Fobs","245321","2020-10-21","18:00:00",""
"3500084","9.787","0.0005","9.7825","0.0005","31.3951","0.0018","90","","90","","90","","3005.8","0.3","150","","150","","","","","","","","","4","A e a 2","A 2 -2ab","41","tetraheptylammonium bromide","","","- C28 H60 Br N -","- C28 H60 Br N -","- C112 H240 Br4 N4 -","4","0.5","","Thierry Maris","Tetraheptylammonium bromide","Personal communication to COD","2019","","","","","","","x-ray","1.54178","CuKα","","0.0354","0.0353","","","0.0846","0.0849","","","","","","1.06","","","","has coordinates,has Fobs","245322","2020-10-21","18:00:00",""
"4003704","12.3556","0.0012","11.0024","0.0011","7.2861","0.0007","90","","90","","90","","990.48","0.17","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- Ba F2 Mo2 O10 Se2 -","- Ba F2 Mo2 O10 Se2 -","- Ba4 F8 Mo8 O40 Se8 -","4","0.5","","Liang, Ming-Li; Ma, Yun-Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","Ba(MoO2F)2(QO3)2 (Q = Se, Te): Partial Fluorination of MoO6 Octahedra Enabling Two Polar Solids with Strong and Phase Matchable SHG Response","Chemistry of Materials","2020","32","22","9688","9695","10.1021/acs.chemmater.0c03353","","","0.71073","MoKα","","0.0394","0.039","","","0.1013","0.1016","","","","","","1.093","","","","has coordinates","259513","2020-12-04","02:15:51",""
"4003705","12.5605","0.0007","11.0264","0.0006","7.2858","0.0006","90","","90","","90","","1009.06","0.11","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- Ba F2 Mo2 O10 Te2 -","- Ba F2 Mo2 O10 Te2 -","- Ba4 F8 Mo8 O40 Te8 -","4","0.5","","Liang, Ming-Li; Ma, Yun-Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","Ba(MoO2F)2(QO3)2 (Q = Se, Te): Partial Fluorination of MoO6 Octahedra Enabling Two Polar Solids with Strong and Phase Matchable SHG Response","Chemistry of Materials","2020","32","22","9688","9695","10.1021/acs.chemmater.0c03353","","","0.71073","MoKα","","0.0249","0.0235","","","0.0559","0.0568","","","","","","1.053","","","","has coordinates","259513","2020-12-04","02:15:51",""
"4004025","16.52","0.02","8.223","0.01","9.293","0.011","90","","90","","90","","1262","3","296.15","","296.15","","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- Hg3 P2 S8 -","- Hg3 P2 S8 -","- Hg12 P8 S32 -","4","0.5","","Chu, Yu; Wang, Peng; Zeng, Hao; Cheng, Shichao; Su, Xin; Yang, Zhihua; Li, Junjie; Pan, Shilie","Hg3P2S8: A New Promising Infrared Nonlinear Optical Material with a Large Second-Harmonic Generation and a High Laser-Induced Damage Threshold","Chemistry of Materials","2021","33","16","6514","6521","10.1021/acs.chemmater.1c01982","","","0.71073","MoKα","","0.0366","0.0309","","","0.0682","0.0713","","","","","","0.969","","","","has coordinates","268449","2021-09-03","21:59:47",""
"4021104","10.625","0.002","17.084","0.006","7.5931","0.0013","90","","90","","90","","1378.2","0.6","298","2","298","2","","","","","","","","2","A e a 2","A 2 -2ab","41","","","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","0.5","","Gon-Ann Lee; Chih-Yi Chang","Novel Ene Trimerization of 1-Phenylcyclopropene","Journal of Organic Chemistry","2004","69","","8949","8951","10.1021/jo048889f","","","","","","","","","","","","","","","","","","","","","has coordinates","271679","2022-01-02","08:39:52",""
"4033826","12.1657","0.0006","17.8449","0.0009","8.3153","0.0004","90","","90","","90","","1805.22","0.15","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C17 H22 N2 O4 S2 -","- C17 H22 N2 O4 S2 -","- C68 H88 N8 O16 S8 -","4","0.5","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","0.71073","MoKα","","0.0223","0.0217","","","0.0594","0.06","","","","","","1.012","","","","has coordinates","222401","2020-10-21","18:00:00",""
"4036001","11.2662","0.0002","15.6756","0.0002","14.1746","0.0003","90","","90","","90","","2503.3","0.08","150","2","150","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C32 H20 Br2 O2 -","- C32 H20 Br2 O2 -","- C128 H80 Br8 O8 -","4","0.5","","Gawade, Prashant M.; Khose, Vaibhav N.; Badani, Purav M.; Hasan, Mohammed; Kaabel, Sandra; Mobin, Shaikh M.; Borovkov, Victor; Karnik, Anil V.","Benzyne-Mediated Nonconcerted Pathway toward Synthesis of Sterically Crowded [5]- and [7]Oxahelicenoids, Stereochemical and Theoretical Studies, and Optical Resolution of Helicenoids.","The Journal of organic chemistry","2019","84","2","860","868","10.1021/acs.joc.8b02507","","","1.5418","CuKα","","0.0467","0.046","","","0.1336","0.1351","","","","","","1.082","","","","has coordinates","271679","2022-01-02","08:39:52",""
"4061840","11.7705","0.0018","10.1142","0.0018","10.061","0.002","90","","90","","90","","1197.8","0.4","110","2","110","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C8 H20 N2 O2 Sn -","- C8 H20 N2 O2 Sn -","- C32 H80 N8 O8 Sn4 -","4","0.5","","Zemlyansky, Nikolay N.; Borisova, Irina V.; Kuznetsova, Marianna G.; Khrustalev, Victor N.; Ustynyuk, Yuri A.; Nechaev, Mikhael S.; Lunin, Valery V.; Barrau, Jacques; Rima, Ghassoub","New Stable Germylenes, Stannylenes, and Related Compounds. 1. Stable Germanium(II) and Tin(II) Compounds M(OCH~2~CH~2~NMe~2~)~2~ (M = Ge, Sn) with Intramolecular Coordination Metal–Nitrogen Bonds. Synthesis and Structure","Organometallics","2003","22","8","1675","1681","10.1021/om020719a","","","","","","","","","","","","","","","","","","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4062039","20.552","0.003","19.537","0.002","14.2842","0.0016","90","","90","","90","","5735.4","1.3","203","2","203","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C64 H80 Fe4 N8 O2 -","- C64 H80 Fe4 N8 O2 -","- C256 H320 Fe16 N32 O8 -","4","0.5","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","268283","2021-08-30","06:31:21",""
"4062040","20.78","0.0014","19.5453","0.0013","14.2942","0.001","90","","90","","90","","5805.6","0.7","223","2","223","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C64 H80 Co2 Fe2 N8 O2 -","- C64 H80 Co2 Fe2 N8 O2 -","- C256 H320 Co8 Fe8 N32 O8 -","4","0.5","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","268283","2021-08-30","06:31:21",""
"4065373","11.304","0.006","11.02","0.006","9.152","0.005","90","","90","","90","","1140.1","1.1","93","2","93","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- B5 H12 N O12 -","- B5 H12 N O12 -","- B20 H48 N4 O48 -","4","0.5","","Fortman, George C.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Highly Active Iridium(III)‒NHC System for the Catalytic B‒N Bond Activation and Subsequent Solvolysis of Ammonia‒Borane","Organometallics","2011","30","20","5487","","10.1021/om2007437","","","0.71073","MoKα","","0.0242","0.0241","","","0.0605","0.0606","","","","","","1.054","","","","has coordinates","265253","2021-05-16","09:36:36",""
"4066662","8.9262","0.0004","17.7039","0.0009","10.453","0.0004","90","","90","","90","","1651.87","0.13","296","2","296","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C18 H3 B F12 -","- C18 H3 B F12 -","- C72 H12 B4 F48 -","4","0.5","","Ullrich, Matthias; Lough, Alan J.; Stephan, Douglas W.","Dihydrogen Activation by B(p-C6F4H)3and Phosphines","Organometallics","2010","29","16","3647","","10.1021/om100563m","","","0.71073","MoKα","","0.0221","0.0216","","","0.0621","0.0629","","","","","","1.005","","","","has coordinates","265253","2021-05-16","09:36:36",""
"4074421","8.994","0.002","21.354","0.004","11.089","0.004","90","","90","","90","","2129.7","1","240","1","240","1","","","","","","","","6","A e a 2","A 2 -2ab","41","9b","Bis-(N,N-dimethyl-N-pivaloimidato-ammoniomethyl-C-O) chlorosiliconium chloride","","- C16 H34 Cl2 N4 O2 Si -","- C16 H34 Cl2 N4 O2 Si -","- C64 H136 Cl8 N16 O8 Si4 -","4","0.5","","Gostevskii, Boris; Zamstein, Noa; Korlyukov, Alexander A.; Baukov, Yuri I.; Botoshansky, Mark; Kaftory, Menahem; Kocher, Nikolaus; Stalke, Dietmar; Kalikhman, Inna; Kost, Daniel","Donor-Stabilized Silyl Cations. 11. Bis-Zwitterionic Penta- and Hexacoordinate Silicon Dichelate Complexes Derived from (ClCH2)2SiCl2through Double Internal Displacement of Chloride1","Organometallics","2006","25","22","5416","","10.1021/om060629w","","","0.71073","MoKα","","0.038","0.0311","","","0.0897","0.0964","","","","","","0.782","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4087434","18.018","0.009","20.18","0.01","15.868","0.008","90","","90","","90","","5770","5","298","2","298","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C24 H38 F6 Fe2 P S3 -","- C24 H38 F6 Fe2 P S3 -","- C192 H304 F48 Fe16 P8 S24 -","8","1","","Li, Ying; Zhang, Yahui; Yang, Dawei; Li, Yang; Sun, Puhua; Wang, Baomin; Qu, Jingping","Synthesis and Reactivity of Thioether-Dithiolate-Bridged Multi-iron Complexes","Organometallics","2015","34","9","1661","","10.1021/acs.organomet.5b00118","","","0.71073","MoKα","","0.075","0.0546","","","0.1691","0.1899","","","","","","1.045","","","","has coordinates,has disorder","236796","2020-10-21","18:00:00",""
"4088708","16.455","0.002","28.172","0.003","28.44","0.003","90","","90","","90","","13184","3","120","2","120","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C36 H47.5 Ir N P2 -","- C36 H47.5 Ir N P2 -","- C576 H760 Ir16 N16 P32 -","16","2","","Vilanova, Sean P.; Iluc, Vlad M.","Aryl and Benzyl C‒H Activation of N-Substituted PNP Ligands","Organometallics","2016","35","12","2110","","10.1021/acs.organomet.6b00333","","","0.71073","MoKα","","0.0317","0.0263","","","0.0454","0.0471","","","","","","1.029","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4089688","17.094","0.0005","17.4204","0.0004","17.4423","0.0004","90","","90","","90","","5194","0.2","100","2","100","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","Chlorido(methyl 4-oxido-2-benzyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide)(?6-p-cymene)ruthenium(II)","","- C27 H28 Cl N O5 Ru S -","- C27 H28 Cl N O5 Ru S -","- C216 H224 Cl8 N8 O40 Ru8 S8 -","8","1","","Aman, Farhana; Hanif, Muhammad; Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Filak, Lukas K.; Reynisson, Jóhannes; Söhnel, Tilo; Jamieson, Stephen M. F.; Hartinger, Christian G.","Anticancer Ruthenium(η6-p-cymene) Complexes of Nonsteroidal Anti-inflammatory Drug Derivatives","Organometallics","2014","33","19","5546","","10.1021/om500825h","","","0.71073","MoKα","","0.0248","0.0227","","","0.0537","0.0548","","","","","","1.054","","","","has coordinates","243721","2020-10-21","18:00:00",""
"4110987","27.854","0.01","25.16","0.008","18.562","0.008","90","","90","","90","","13008","8","173","2","173","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C120 H160 Al6 Cl12 N4 O22 -","- C120 H160 Al6 Cl12 N4 O22 -","- C480 H640 Al24 Cl48 N16 O88 -","4","0.5","","Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade","Facile Synthesis of Monomeric Alumatranes","Journal of the American Chemical Society","2006","128","","13727","13735","10.1021/ja0626786","","","0.71073","MoKα","","0.0791","0.0692","","","0.1816","0.1898","","","","","","1.041","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4118230","29.641","0.005","22.626","0.004","10.566","0.002","90","","90","","90","","7086","2","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C78 H102 Co3 N13 O2 -","- C78 H102 Co3 N13 O2 -","- C312 H408 Co12 N52 O8 -","4","0.5","","Julia Kozhukh; Stephen J. Lippard","Influence of Tetraazamacrocyclic Ligands on the Nitric Oxide Reactivity of their Cobalt(II) Complexes","Journal of the American Chemical Society","2012","134","","11120","11123","10.1021/ja305011g","","","0.71073","MoKα","","0.0375","0.0303","","","0.0712","0.0808","","","","","","1.117","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4124996","21.7127","0.0005","29.2279","0.0008","26.0364","0.0005","90","","90","","90","","16523.1","0.7","123","2","123","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C84 H86 B F20 Li N4 Si2 -","- C84 H86 B F20 Li N4 Si2 -","- C672 H688 B8 F160 Li8 N32 Si16 -","8","1","","Arz, Marius I.; Straßmann, Martin; Geiß, Daniel; Schnakenburg, Gregor; Filippou, Alexander C.","Addition of Small Electrophiles to N-Heterocyclic-Carbene-Stabilized Disilicon(0): A Revisit of the Isolobal Concept in Low-Valent Silicon Chemistry.","Journal of the American Chemical Society","2016","138","13","4589","4600","10.1021/jacs.6b01018","","","0.71073","MoKα","","0.0745","0.049","","","0.1035","0.1116","","","","","","0.915","","","","has coordinates,has disorder","182496","2020-10-21","18:00:00",""
"4127247","21.686","0.005","17.836","0.004","7.2977","0.0018","90","","90","","90","","2822.7","1.1","","","","","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C128 H128 N16 O16 -","8","1","","Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan","Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.","Journal of the American Chemical Society","2019","141","20","8364","8371","10.1021/jacs.9b03932","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","223192","2020-10-21","18:00:00",""
"4129594","16.0692","0.0004","16.4154","0.0009","8.581","0.0007","90","","90","","90","","2263.5","0.2","93","2","93","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C27 H31 Co N2 -","- C27 H31 Co N2 -","- C108 H124 Co4 N8 -","4","0.5","","Chen, Chi; Hecht, Maxwell B.; Kavara, Aydin; Brennessel, William W.; Mercado, Brandon Q.; Weix, Daniel J.; Holland, Patrick L.","Rapid, Regioconvergent, Solvent-Free Alkene Hydrosilylation with a Cobalt Catalyst.","Journal of the American Chemical Society","2015","137","41","13244","13247","10.1021/jacs.5b08611","","","0.71075","MoKα","","0.0324","0.029","","","0.0635","0.065","","","","","","1.089","","","","has coordinates","240285","2020-10-21","18:00:00",""
"4131240","41.685","0.008","23.962","0.005","12","0.002","90","","90","","90","","11986","4","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C6 H18 Br4 N2 Pb -","- C6 H18 Br4 N2 Pb -","- C192 H576 Br128 N64 Pb32 -","32","4","","Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Wasielewski, Michael R.; Kanatzidis, Mercouri G.","White-Light Emission and Structural Distortion in New Corrugated Two-Dimensional Lead Bromide Perovskites.","Journal of the American Chemical Society","2017","139","14","5210","5215","10.1021/jacs.7b01312","","","0.71073","MoKα","","0.125","0.0541","","","0.0919","0.1112","","","","","","0.831","","","","has coordinates","241489","2020-10-21","18:00:00",""
"4131953","13.6713","0.0013","37.374","0.004","8.2094","0.0007","90","","90","","90","","4194.6","0.7","100","2","100","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C24 H26 N2 O7 -","- C24 H26 N2 O7 -","- C192 H208 N16 O56 -","8","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.71073","MoKα","","0.0461","0.0396","","","0.0954","0.1002","","","","","","1.077","","","","has coordinates","242023","2020-10-21","18:00:00",""
"4131995","14.047","0.002","14.609","0.003","10.026","0.001","90","","90","","90","","2057.5","0.6","300","1","300","1","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C12 H7 F3 N2 -","- C12 H7 F3 N2 -","- C96 H56 F24 N16 -","8","1","","Kobayashi, Kensuke; Horiuchi, Sachio; Ishibashi, Shoji; Murakami, Youichi; Kumai, Reiji","Field-Induced Antipolar-Polar Structural Transformation and Giant Electrostriction in Organic Crystal.","Journal of the American Chemical Society","2018","140","11","3842","3845","10.1021/jacs.7b13688","","","0.9991","synchrotron","","0.0499","0.037","","","0.1095","0.118","","","","","","0.978","","","","has coordinates","242037","2020-10-21","18:00:00",""
"4134273","9.2974","0.0003","25.1758","0.0007","8.9611","0.0003","90","","90","","90","","2097.52","0.11","173","2","173","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C10 H20 F4 I4 N2 Pb -","- C10 H20 F4 I4 N2 Pb -","- C40 H80 F16 I16 N8 Pb4 -","4","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.0355","0.0351","","","0.0847","0.0849","","","","","","1.053","","","","has coordinates","248540","2020-10-21","18:00:00",""
"4134277","9.2541","0.0002","25.0703","0.0005","8.9483","0.0002","90","","90","","90","","2076.03","0.08","100","2","100","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C10 H20 F4 I4 N2 Pb -","- C10 H20 F4 I4 N2 Pb -","- C40 H80 F16 I16 N8 Pb4 -","4","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.0219","0.0214","","","0.0573","0.0575","","","","","","1.103","","","","has coordinates","248544","2020-10-21","18:00:00",""
"4134282","9.3456","0.0004","25.3587","0.0013","9.0113","0.0005","90","","90","","90","","2135.61","0.19","300","2","300","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C10 H20 F4 I4 N2 Pb -","- C10 H20 F4 I4 N2 Pb -","- C40 H80 F16 I16 N8 Pb4 -","4","0.5","","Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen","Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00371","","","0.71073","MoKα","","0.0296","0.0283","","","0.0697","0.07","","","","","","1.094","","","","has coordinates","248549","2020-10-21","18:00:00",""
"4301104","17.8321","0.0012","26.9021","0.0018","19.4751","0.0013","90","","90","","90","","9342.6","1.1","100","2","100","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C84 H132 Cu4 N8 O20 P4 -","- C84 H132 Cu4 N8 O20 P4 -","- C336 H528 Cu16 N32 O80 P16 -","4","0.5","","Ramaswamy Murugavel; Subramaniam Kuppuswamy; Amarendra Nath Maity; Mayank Pratap Singh","Di-, Tri-, Tetra-, and Hexanuclear Copper(II) Mono-organophosphates: Structure and Nuclearity Dependence on the Choice of Phosphorus Substituents and Auxiliary N-Donor Ligands","Inorganic Chemistry","2009","48","","183","192","10.1021/ic801532y","","","0.71073","MoKα","","0.0295","0.0291","","","0.0777","0.0782","","","","","","1.065","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4304029","13.677","0.005","34.017","0.005","10.88","0.005","90","0.005","90","0.005","90","0.005","5062","3","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C58 H72 Cu2 N4 O4 -","- C58 H72 Cu2 N4 O4 -","- C232 H288 Cu8 N16 O16 -","4","0.5","","Atasi Mukherjee; Francesc Lloret; Rabindranath Mukherjee","Synthesis and Properties of Diphenoxo-Bridged CoII, NiII, CuII, and ZnII Complexes of a New Tripodal Ligand: Generation and Properties of MII-Coordinated Phenoxyl Radical Species","Inorganic Chemistry","2008","47","","4471","4480","10.1021/ic701283b","","","0.71069","MoKα","","0.0692","0.051","","","0.1173","0.1513","","","","","","1.041","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4310628","8.9282","0.0007","8.915","0.0007","28.113","0.002","90","","90","","90","","2237.7","0.3","100","2","100","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C28 H20 Cu N6 -","- C28 H20 Cu N6 -","- C112 H80 Cu4 N24 -","4","0.5","","Sara R. Halper; Mitchell R. Malachowski; Heather M. Delaney; Seth M. Cohen","Heteroleptic Copper Dipyrromethene Complexes: Synthesis, Structure, and Coordination Polymers","Inorganic Chemistry","2004","43","","1242","1249","10.1021/ic0352295","","","0.71073","MoKα","","0.0268","0.0266","","","0.0728","0.073","","","","","","1.141","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4311428","16.8277","0.0004","12.2576","0.0003","9.7062","0.0002","90","","90","","90","","2002.07","0.08","173","2","173","2","","","","","","","synthesis as described","5","A e a 2","A 2 -2ab","41","[CuCl2Cu(C8H15)2]","","","- C16 H30 Cl2 Cu2 N6 -","- C16 H30 Cl2 Cu2 N6 -","- C64 H120 Cl8 Cu8 N24 -","4","0.5","","Sarah H. Oakley; Martyn P. Coles; Peter B. Hitchcock","Structural Consequences of the Prohibition of Hydrogen Bonding in Copper-Guanidine Systems","Inorganic Chemistry","2004","43","","5168","5172","10.1021/ic0495970","","x-ray","0.71073","MoKα","","0.0265","0.0239","","","0.0544","0.0559","","","","","","0.955","","","","has coordinates","271679","2022-01-02","08:39:52",""
"4312581","14.6874","0.0017","13.9418","0.0016","11.7564","0.0013","90","","90","","90","","2407.3","0.5","293","2","293","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C20 H42 Fe N4 -","- C20 H42 Fe N4 -","- C80 H168 Fe4 N16 -","4","0.5","","Booyong S. Lim; Antti Rahtu; Jin-Seong Park; Roy G. Gordon","Synthesis and Characterization of Volatile, Thermally Stable, Reactive Transition Metal Amidinates","Inorganic Chemistry","2003","42","","7951","7958","10.1021/ic0345424","","","0.71073","MoKα","","0.0303","0.0294","","","0.0826","0.0833","","","","","","1.057","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4314054","18.178","0.003","19.511","0.003","19.055","0.003","90","","90","","90","","6758.3","1.9","168","2","168","2","","","","","","","","4","A e a 2","A 2 -2ab","41","K4(DPE)4(THF)4","","","- C72 H84 K4 O8 -","- C72 H84 K4 O8 -","- C288 H336 K16 O32 -","4","0.5","","Timothy J. Boyle; Nicholas L. Andrews; Mark A. Rodriguez; Charles Campana; Timothy Yiu","Structural Variations of Potassium Aryloxides","Inorganic Chemistry","2003","42","","5357","5366","10.1021/ic034222k","","","0.71073","MoKα","","0.0399","0.0353","","","0.0936","0.0973","","","","","","1.065","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4315821","19.613","0.007","21.093","0.008","29.578","0.011","90","","90","","90","","12236","8","293","2","293","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C90 H174 Er2 N12 S2 Si8 -","- C90 H174 Er2 N12 S2 Si8 -","- C360 H696 Er8 N48 S8 Si32 -","4","0.5","","Zhengxing Zhang; Lixin Zhang; Yanrong Li; Longcheng Hong; Zhenxia Chen; Xigeng Zhou","Activation of Bis(guanidinate)lanthanide Alkyl and Aryl Complexes on Elemental Sulfur: Synthesis and Characterization of Bis(guanidinate)lanthanide Thiolates and Disulfides","Inorganic Chemistry","2010","49","","5715","5722","10.1021/ic100617n","","","0.71073","MoKα","","0.0519","0.0307","","","0.0921","0.0983","","","","","","0.951","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4315824","19.325","0.006","20.926","0.006","29.977","0.009","90","","90","","90","","12123","6","293","2","293","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C84 H178 Er2 N12 S2 Si8 -","- C84 H178 Er2 N12 S2 Si8 -","- C336 H712 Er8 N48 S8 Si32 -","4","0.5","","Zhengxing Zhang; Lixin Zhang; Yanrong Li; Longcheng Hong; Zhenxia Chen; Xigeng Zhou","Activation of Bis(guanidinate)lanthanide Alkyl and Aryl Complexes on Elemental Sulfur: Synthesis and Characterization of Bis(guanidinate)lanthanide Thiolates and Disulfides","Inorganic Chemistry","2010","49","","5715","5722","10.1021/ic100617n","","","0.71073","MoKα","","0.0494","0.0292","","","0.0753","0.0837","","","","","","1.009","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4315826","19.462","0.007","21.004","0.007","29.844","0.01","90","","90","","90","","12200","7","293","2","293","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C84 H178 N12 S2 Si8 Yb2 -","- C84 H178 N12 S2 Si8 Yb2 -","- C336 H712 N48 S8 Si32 Yb8 -","4","0.5","","Zhengxing Zhang; Lixin Zhang; Yanrong Li; Longcheng Hong; Zhenxia Chen; Xigeng Zhou","Activation of Bis(guanidinate)lanthanide Alkyl and Aryl Complexes on Elemental Sulfur: Synthesis and Characterization of Bis(guanidinate)lanthanide Thiolates and Disulfides","Inorganic Chemistry","2010","49","","5715","5722","10.1021/ic100617n","","","0.71073","MoKα","","0.0891","0.0405","","","0.0521","0.0548","","","","","","0.984","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4315827","19.299","0.004","20.872","0.004","30.127","0.006","90","","90","","90","","12135","4","298","2","298","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C84 H178 N12 S2 Si8 Y2 -","- C84 H178 N12 S2 Si8 Y2 -","- C336 H712 N48 S8 Si32 Y8 -","4","0.5","","Zhengxing Zhang; Lixin Zhang; Yanrong Li; Longcheng Hong; Zhenxia Chen; Xigeng Zhou","Activation of Bis(guanidinate)lanthanide Alkyl and Aryl Complexes on Elemental Sulfur: Synthesis and Characterization of Bis(guanidinate)lanthanide Thiolates and Disulfides","Inorganic Chemistry","2010","49","","5715","5722","10.1021/ic100617n","","","0.71073","MoKα","","0.1264","0.0508","","","0.0706","0.0744","","","","","","0.945","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4315828","19.329","0.005","21.163","0.005","29.585","0.007","90","","90","","90","","12102","5","293","2","293","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C88 H170 Er2 N12 S2 Si8 -","- C88 H170 Er2 N12 S2 Si8 -","- C352 H680 Er8 N48 S8 Si32 -","4","0.5","","Zhengxing Zhang; Lixin Zhang; Yanrong Li; Longcheng Hong; Zhenxia Chen; Xigeng Zhou","Activation of Bis(guanidinate)lanthanide Alkyl and Aryl Complexes on Elemental Sulfur: Synthesis and Characterization of Bis(guanidinate)lanthanide Thiolates and Disulfides","Inorganic Chemistry","2010","49","","5715","5722","10.1021/ic100617n","","","0.71073","MoKα","","0.0873","0.0456","","","0.1323","0.1367","","","","","","1.045","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4315829","19.327","0.006","21.14","0.007","29.528","0.009","90","","90","","90","","12064","7","293","2","293","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C88 H170 N12 S2 Si8 Yb2 -","- C88 H170 N12 S2 Si8 Yb2 -","- C352 H680 N48 S8 Si32 Yb8 -","4","0.5","","Zhengxing Zhang; Lixin Zhang; Yanrong Li; Longcheng Hong; Zhenxia Chen; Xigeng Zhou","Activation of Bis(guanidinate)lanthanide Alkyl and Aryl Complexes on Elemental Sulfur: Synthesis and Characterization of Bis(guanidinate)lanthanide Thiolates and Disulfides","Inorganic Chemistry","2010","49","","5715","5722","10.1021/ic100617n","","","0.71073","MoKα","","0.0578","0.0325","","","0.0972","0.102","","","","","","1.019","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4332295","15.2158","0.0008","15.2876","0.0008","12.3342","0.0006","90","","90","","90","","2869.1","0.3","173","2","173","2","","","","","","","","4","A e a 2","A 2 -2ab","41","bis(diphenylphosphino)ethane tetraiodine adduct","","","- C26 H24 I4 P2 -","- C26 H24 I4 P2 -","- C104 H96 I16 P8 -","4","0.5","","Ellis, Bobby D.; Macdonald, Charles L. B.","Phosphorus(I) Iodide: A Versatile Metathesis Reagent for the Synthesis of Low Oxidation State Phosphorus Compounds","Inorganic Chemistry","2006","45","17","6864","6874","10.1021/ic060186o","","","0.71073","MoKα","","0.0188","0.0181","","","0.0411","0.0414","","","","","","1.04","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4334168","22.2182","0.0016","15.4755","0.0012","10.8569","0.0009","90","","90","","90","","3733","0.5","173","2","173","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C41 H45 N3 O5 P2 -","- C41 H45 N3 O5 P2 -","- C164 H180 N12 O20 P8 -","4","0.5","","Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau","Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms","Inorganic Chemistry","2013","52","","3063","3083","10.1021/ic3025342","","","0.71073","MoKα","","0.0908","0.0515","","","0.098","0.1124","","","","","","1.024","","","","has coordinates","270822","2021-11-23","08:36:48",""
"4334169","22.2568","0.0018","15.4841","0.0013","10.8479","0.0008","90","","90","","90","","3738.5","0.5","173","2","173","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C41 H45 N3 O5 P2 -","- C41 H45 N3 O5 P2 -","- C164 H180 N12 O20 P8 -","4","0.5","","Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau","Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms","Inorganic Chemistry","2013","52","","3063","3083","10.1021/ic3025342","","","0.71073","MoKα","","0.0352","0.03","","","0.0726","0.0757","","","","","","1.024","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4339669","22.6707","0.0012","14.8735","0.0008","15.7286","0.0008","90","","90","","90","","5303.6","0.5","133","2","173","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C36 H50 Ce3 Mn2 N6 O30 -","- C36 H50 Ce3 Mn2 N6 O30 -","- C144 H200 Ce12 Mn8 N24 O120 -","4","0.5","","Tasiopoulos, Anastasios J.; Milligan, Jr, Paul L; Abboud, Khalil A.; O'Brien, Ted A; Christou, George","Mixed transition metal-lanthanide complexes at high oxidation states: heteronuclear CeIVMnIV clusters.","Inorganic chemistry","2007","46","23","9678","9691","10.1021/ic700994p","","","0.71073","MoKα","","0.0256","0.025","","","0.0661","0.0666","","","","","","1.041","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4342868","18.705","0.003","14.048","0.002","23.527","0.004","90","","90","","90","","6182.1","1.7","291","2","291","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C62 H56 Cl4 Er N7 O11 -","- C62 H56 Cl4 Er N7 O11 -","- C248 H224 Cl16 Er4 N28 O44 -","4","0.5","","Zhang, Kun; Zhang, Lei; Zhang, Song; Hu, Yong; Zheng, Youxuan; Huang, Wei","Construction of Identical [2 + 2] Schiff-Base Macrocyclic Ligands by Ln(III) and Zn(II) Template Ions Including Efficient Yb(III) Near-Infrared Sensitizers.","Inorganic chemistry","2015","54","11","5295","5300","10.1021/acs.inorgchem.5b00283","","","0.71073","MoKα","","0.0845","0.0407","","","0.0754","0.0886","","","","","","0.959","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4342869","18.705","0.003","14.048","0.002","23.527","0.004","90","","90","","90","","6182.1","1.7","291","2","291","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C62 H56 Cl4 N7 O11 Yb -","- C62 H56 Cl4 N7 O11 Yb -","- C248 H224 Cl16 N28 O44 Yb4 -","4","0.5","","Zhang, Kun; Zhang, Lei; Zhang, Song; Hu, Yong; Zheng, Youxuan; Huang, Wei","Construction of Identical [2 + 2] Schiff-Base Macrocyclic Ligands by Ln(III) and Zn(II) Template Ions Including Efficient Yb(III) Near-Infrared Sensitizers.","Inorganic chemistry","2015","54","11","5295","5300","10.1021/acs.inorgchem.5b00283","","","0.71073","MoKα","","0.0439","0.0338","","","0.0923","0.1115","","","","","","1.125","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4344458","19.6","0.02","19.585","0.019","16.583","0.01","90","","90","","90","","6366","10","143","2","143","2","","","","","","","","6","A e a 2","A 2 -2ab","41","dodecafluorido_dodecaboranate(-2)","Bis(cobaltocenium)_dodecafluorido_dodecaboranate_aceton","","- C23 H20 B12 Co2 F12 O -","- C23 H20 B12 Co2 F12 O -","- C184 H160 B96 Co16 F96 O8 -","8","1","","Malischewski, Moritz; Bukovsky, Eric V.; Strauss, Steven H.; Seppelt, Konrad","Jahn-Teller Effect in the B12F12 Radical Anion and Energetic Preference of an Octahedral B6(BF2)6 Cluster Structure over an Icosahedral Structure for the Elusive Neutral B12F12.","Inorganic chemistry","2015","54","23","11563","11566","10.1021/acs.inorgchem.5b02256","","","0.71073","MoKα","","0.0753","0.0554","","","0.1385","0.1511","","","","","","1.083","","","","has coordinates","173575","2020-10-21","18:00:00",""
"4346149","13.2","0.0019","17.8552","0.0019","9.0813","0.0013","90","","90","","90","","2140.4","0.5","150","","150","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C18 H22 Fe N6 Se2 -","- C18 H22 Fe N6 Se2 -","- C72 H88 Fe4 N24 Se8 -","4","0.5","","Luan, Jie; Zhou, Jian; Liu, Zhan; Zhu, Bowen; Wang, Huisi; Bao, Xin; Liu, Wei; Tong, Ming-Liang; Peng, Guo; Peng, Haonan; Salmon, Lionel; Bousseksou, Azzedine","Polymorphism-Dependent Spin-Crossover: Hysteretic Two-Step Spin Transition with an Ordered [HS-HS-LS] Intermediate Phase.","Inorganic chemistry","2015","54","11","5145","5147","10.1021/acs.inorgchem.5b00629","","","0.71073","MoKα","","0.0841","0.0424","","","0.0601","0.0696","","","","","","0.991","","","","has coordinates","231632","2020-10-21","18:00:00",""
"4346150","39.457","0.006","17.701","0.003","8.9839","0.0012","90","","90","","90","","6274.6","1.7","100","","100","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C18 H22 Fe N6 Se2 -","- C18 H22 Fe N6 Se2 -","- C216 H264 Fe12 N72 Se24 -","12","1.5","","Luan, Jie; Zhou, Jian; Liu, Zhan; Zhu, Bowen; Wang, Huisi; Bao, Xin; Liu, Wei; Tong, Ming-Liang; Peng, Guo; Peng, Haonan; Salmon, Lionel; Bousseksou, Azzedine","Polymorphism-Dependent Spin-Crossover: Hysteretic Two-Step Spin Transition with an Ordered [HS-HS-LS] Intermediate Phase.","Inorganic chemistry","2015","54","11","5145","5147","10.1021/acs.inorgchem.5b00629","","","0.71073","MoKα","","0.0924","0.0521","","","0.1054","0.1318","","","","","","1.071","","","","has coordinates","231632","2020-10-21","18:00:00",""
"4346342","17.9725","0.0017","32.179","0.005","15.7563","0.0019","90","","90","","90","","9112","2","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C52 H68 Co2 N46 O35 -","- C52 H68 Co2 N46 O35 -","- C208 H272 Co8 N184 O140 -","4","0.5","","Myers, Thomas W.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Scott, Brian L.; Veauthier, Jacqueline M.; Wu, Ruilian","Independent Control of Optical and Explosive Properties: Pyrazole-Tetrazine Complexes of First Row Transition Metals.","Inorganic chemistry","2015","54","16","8077","8086","10.1021/acs.inorgchem.5b01313","","","0.71073","MoKα","","0.0598","0.057","","","0.1569","0.1631","","","","","","1.035","","","","has coordinates,has disorder","231731","2020-10-21","18:00:00",""
"4347097","19.9551","0.0005","20.196","0.0004","27.3545","0.0006","90","","90","","90","","11024.2","0.4","100","2","100","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C62 H60 Au2 Br2 N8 O2 -","- C62 H52 Au2 Br2 N8 O2 -","- C496 H416 Au16 Br16 N64 O16 -","8","1","","Penney, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.; Krupenya, Dmitry V.; Gurzhiy, Vladislav V.; Starova, Galina L.; Tunik, Sergey P.","Aurophilicity in Action: Fine-Tuning the Gold(I)-Gold(I) Distance in the Excited State To Modulate the Emission in a Series of Dinuclear Homoleptic Gold(I)-NHC Complexes.","Inorganic chemistry","2016","55","10","4720","4732","10.1021/acs.inorgchem.5b02722","","","1.5418","CuKα","","0.1003","0.0971","","","0.2324","0.2413","","","","","","1.099","","","","has coordinates","232167","2020-10-21","18:00:00",""
"4347106","17.937","0.002","25.291","0.003","13.2153","0.0018","90","","90","","90","","5995.1","1.3","150","2","150","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C48 H50 Br4 N6 P2 Pd2 -","- C48 H50 Br4 N6 P2 Pd2 -","- C192 H200 Br16 N24 P8 Pd8 -","4","0.5","","Kumar, Anuj; Gangwar, Manoj Kumar; Prakasham, A. P.; Mhatre, Darshan; Kalita, Alok Ch; Ghosh, Prasenjit","Accessing a Biologically Relevant Benzofuran Skeleton by a One-Pot Tandem Heck Alkynylation/Cyclization Reaction Using Well-Defined Palladium N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2016","55","6","2882","2893","10.1021/acs.inorgchem.5b02727","","","0.71075","MoKα","","0.0201","0.02","","","0.0501","0.0502","","","","","","1.041","","","","has coordinates","232171","2020-10-21","18:00:00",""
"4347508","12.7935","0.0008","26.6085","0.0018","9.9374","0.0008","90","","90","","90","","3382.8","0.4","100.02","0.12","100.02","0.12","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C36 H20 Fe N10 S4 -","- C36 H20 Fe N10 S4 -","- C144 H80 Fe4 N40 S16 -","4","0.5","","Yang, Qian; Gao, Chen; Wang, Ye-Xin; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Two Magnetic Switching Complexes Based on the Fe(II) Ion.","Inorganic chemistry","2016","55","16","7805","7807","10.1021/acs.inorgchem.6b00258","","","0.7107","MoKα","","0.0616","0.0558","","","0.1513","0.1576","","","","","","1.06","","","","has coordinates","232350","2020-10-21","18:00:00",""
"4347509","13.402","0.0007","26.5439","0.0014","9.5831","0.0007","90","","90","","90","","3409.1","0.4","250.01","0.1","250.01","0.1","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C36 H20 Fe N10 S4 -","- C36 H20 Fe N10 S4 -","- C144 H80 Fe4 N40 S16 -","4","0.5","","Yang, Qian; Gao, Chen; Wang, Ye-Xin; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Two Magnetic Switching Complexes Based on the Fe(II) Ion.","Inorganic chemistry","2016","55","16","7805","7807","10.1021/acs.inorgchem.6b00258","","","0.7107","MoKα","","0.0678","0.0564","","","0.1566","0.1682","","","","","","1.062","","","","has coordinates","232350","2020-10-21","18:00:00",""
"4349276","31.004","0.006","28.866","0.005","22.39","0.004","90","","90","","90","","20038","6","80","2","80","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C113 H88 O18 Ru8 S2 -","- C113 H88 O18 Ru8 S2 -","- C904 H704 O144 Ru64 S16 -","8","1","","Białek, Michał J; Sprutta, Natasza; Latos-Grażyński, Lechosław","Coordination-Induced Molecular Tweezing: Ruthenium Clusters Docked at Azuliporphyrinogens.","Inorganic chemistry","2016","55","22","12061","12073","10.1021/acs.inorgchem.6b02228","","","0.71073","MoKα","","0.0749","0.0502","","","0.0894","0.0998","","","","","","1.031","","","","has coordinates","233801","2020-10-21","18:00:00",""
"4349728","17.5405","0.0004","21.767","0.0004","7.47911","0.00014","90","","90","","90","","2855.55","0.1","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C4 H16 Bi Cl5 N2 -","- C4 H16 Bi Cl5 N2 -","- C32 H128 Bi8 Cl40 N16 -","8","1","","Piecha-Bisiorek, Anna; Gągor, Anna; Jakubas, Ryszard; Ciżman, Agnieszka; Janicki, Rafał; Medycki, Wojciech","Ferroelectricity in bis(ethylammonium) pentachlorobismuthate(iii): synthesis, structure, polar and spectroscopic properties","Inorganic Chemistry Frontiers","2017","4","8","1281","","10.1039/C7QI00254H","","","0.7107","MoKα","","0.0412","0.0388","","","0.1086","0.1113","","","","","","1.106","","","","has coordinates,has disorder","235772","2020-10-21","18:00:00",""
"4349730","7.45","0.03","33.85","0.17","7.42","0.04","90","","90","","90","","1871","16","203","2","203","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C10 H28 Cd Cl4 N2 -","- C10 H28 Cd Cl4 N2 -","- C40 H112 Cd4 Cl16 N8 -","4","0.5","","Wang, Zhongxia; Lv, Xing-Hui; Liu, Yu-Ling; Lu, Yang; Chen, Hai-Peng; Ge, Jia-Zhen","Prominent dielectric transitions in layered organic‒inorganic hybrids: (isoamyl-ammonium)2CdX4 (X = Cl and Br)","Inorganic Chemistry Frontiers","2017","4","8","1330","","10.1039/C7QI00270J","","","0.71073","MoKα","","0.1007","0.0969","","","0.2409","0.2494","","","","","","1.182","","","","has coordinates","235774","2020-10-21","18:00:00",""
"4350049","15.7067","0.0015","18.4252","0.0018","8.8199","0.0008","90","","90","","90","","2552.5","0.4","123","","123","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C26 H26 Fe N6 S2 -","- C26 H26 Fe N6 S2 -","- C104 H104 Fe4 N24 S8 -","4","0.5","","Chen, Xiu-Qin; Cai, You-De; Ye, Yi-Shan; Tong, Ming-Liang; Bao, Xin","Investigation of SCO property‒structural relationships in a family of mononuclear Fe(ii) complexes","Inorganic Chemistry Frontiers","2019","6","8","2194","","10.1039/C9QI00577C","","","0.71073","MoKα","","0.0447","0.0335","","","0.0656","0.0698","","","","","","1.029","","","","has coordinates","237963","2020-10-21","18:00:00",""
"4350180","25.1267","0.0014","22.1514","0.0011","13.6062","0.0011","90","","90","","90","","7573.1","0.8","123","2","150","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C16 H37 Gd1.5 N12.5 O17 Ru2 -","- C16 H6 Gd1.5 N12.5 O17 Ru2 -","- C128 H48 Gd12 N100 O136 Ru16 -","8","1","","Herrera, Juan-Manuel; Pope, Simon J. A.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.","Structural and photophysical properties of coordination networks combining [Ru(Bpym)(CN)4]2- or [[Ru(CN)4]2(mu-bpym)]4- anions (bpym = 2,2'-bipyrimidine) with lanthanide(III) cations: sensitized near-infrared luminescence from Yb(III), Nd(III), and Er(III) following Ru-to-lanthanide energy transfer.","Inorganic chemistry","2006","45","10","3895","3904","10.1021/ic0521574","","","0.71073","MoKα","","0.0487","0.0377","","","0.0892","0.0951","","","","","","1.007","","","","has coordinates,has disorder","239770","2020-10-21","18:00:00",""
"4350182","24.9856","0.0006","21.9719","0.0005","13.483","0.0003","90","","90","","90","","7401.9","0.3","150","2","150","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C16 H36 N12.5 O16.5 Ru2 Yb1.5 -","- C16 H6 N12.5 O16.5 Ru2 Yb1.5 -","- C128 H48 N100 O132 Ru16 Yb12 -","8","1","","Herrera, Juan-Manuel; Pope, Simon J. A.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.","Structural and photophysical properties of coordination networks combining [Ru(Bpym)(CN)4]2- or [[Ru(CN)4]2(mu-bpym)]4- anions (bpym = 2,2'-bipyrimidine) with lanthanide(III) cations: sensitized near-infrared luminescence from Yb(III), Nd(III), and Er(III) following Ru-to-lanthanide energy transfer.","Inorganic chemistry","2006","45","10","3895","3904","10.1021/ic0521574","","","0.71073","MoKα","","0.0362","0.0291","","","0.0676","0.0705","","","","","","1.062","","","","has coordinates,has disorder","239770","2020-10-21","18:00:00",""
"4350183","25.16","0.005","22.2","0.004","13.623","0.003","90","","90","","90","","7609","3","273","2","120","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C16 H37 Eu1.5 N12.5 O17 Ru2 -","- C16 H6 Eu1.5 N12.5 O17 Ru2 -","- C128 H48 Eu12 N100 O136 Ru16 -","8","1","","Herrera, Juan-Manuel; Pope, Simon J. A.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.","Structural and photophysical properties of coordination networks combining [Ru(Bpym)(CN)4]2- or [[Ru(CN)4]2(mu-bpym)]4- anions (bpym = 2,2'-bipyrimidine) with lanthanide(III) cations: sensitized near-infrared luminescence from Yb(III), Nd(III), and Er(III) following Ru-to-lanthanide energy transfer.","Inorganic chemistry","2006","45","10","3895","3904","10.1021/ic0521574","","","0.71073","MoKα","","0.0328","0.0305","","","0.0848","0.0868","","","","","","1.108","","","","has coordinates,has disorder","239770","2020-10-21","18:00:00",""
"4350669","27.757","0.003","10.734","0.0011","14.194","0.0015","90","","90","","90","","4229","0.8","296","2","296.15","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C18 Cu N3 O8 U -","- C18 Cu N3 O8 U -","- C144 Cu8 N24 O64 U8 -","8","1","","Weng, Zhehui; Zhang, Zhi-hui; Olds, Travis; Sterniczuk, Marcin; Burns, Peter C.","Copper(I) and copper(II) uranyl heterometallic hybrid materials.","Inorganic chemistry","2014","53","15","7993","7998","10.1021/ic5007814","","","0.71073","MoKα","","0.0707","0.0459","","","0.1025","0.1142","","","","","","1.045","","","","has coordinates","239980","2020-10-21","18:00:00",""
"4501754","15.9668","0.0004","17.7252","0.0004","11.5612","0.0004","90","","90","","90","","3271.99","0.16","296","2","296","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C29 H25 Ce N9 O16 -","- C29 H25 Ce N9 O16 -","- C116 H100 Ce4 N36 O64 -","4","0.5","","Das, Babulal; Baruah, Jubaraj B.","Protonated Adenine and Cytosine Ribbons Stabilized by Dipicolinato Metal Frameworks","Crystal Growth & Design","2010","10","7","3242","","10.1021/cg100371w","","","0.71073","MoKα","","0.0406","0.0345","","","0.0818","0.0851","","","","","","0.985","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4513766","28.458","0.002","12.7428","0.0012","13.1834","0.0012","90","","90","","90","","4780.8","0.7","140","2","140","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C20 H26 Cl F6 N3 P Rh -","- C20 H26 Cl F6 N3 P Rh -","- C160 H208 Cl8 F48 N24 P8 Rh8 -","8","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.065","0.0531","","","0.1351","0.1419","","","","","","1.078","","","","has coordinates","206166","2020-10-21","18:00:00",""
"4516741","15.7643","0.0005","16.3813","0.0005","8.9459","0.0002","90","","90","","90","","2310.19","0.11","140","","140","","","","","","","","","4","A e a 2","A 2 -2ab","41","","CoH(dmpbz)","","- C20 H32 Co P4 -","- C20 H32 Co P4 -","- C80 H128 Co4 P16 -","4","0.5","","Jeletic, Matthew S.; Hulley, Elliott B.; Helm, Monte L.; Mock, Michael T.; Appel, Aaron M.; Wiedner, Eric S.; Linehan, John C.","Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis","ACS Catalysis","2017","7","9","6008","","10.1021/acscatal.7b01673","","","0.71073","MoKα","","0.0451","0.0321","","","0.0655","0.07","","","","","","1.023","","","","has coordinates,has disorder","239500","2020-10-21","18:00:00",""
"4517568","31.3169","0.0009","13.0613","0.0003","7.9634","0.0002","90","","90","","90","","3257.34","0.15","179.99","0.1","179.99","0.1","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C17 H14 Cl I N2 O2 -","- C17 H14 Cl I N2 O2 -","- C136 H112 Cl8 I8 N16 O16 -","8","1","","Sun, Han-Li; Yang, Fan; Ye, Wei-Ting; Wang, Jun-Jie; Zhu, Rong","Dual Cobalt and Photoredox Catalysis Enabled Intermolecular Oxidative Hydrofunctionalization","ACS Catalysis","2020","10","9","4983","4989","10.1021/acscatal.0c01209","","x-ray","0.71073","MoKα","","0.0302","0.0233","","","0.0505","0.0525","","","","","","1.025","","","","has coordinates","257010","2020-10-21","18:00:00",""
"4518151","12.3643","0.0015","11.0325","0.0016","7.2946","0.001","90","","90","","90","","995.1","0.2","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- Ba F2 Mo2 O10 Se2 -","- Ba F2 Mo2 O10 Se2 -","- Ba4 F8 Mo8 O40 Se8 -","4","0.5","","Lin, Lin; Jiang, Xingxing; Wu, Chao; Li, Longhua; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","Ba(MoO2F)2(XO3)2 (X = Se and Te): First Cases of Noncentrosymmetric Fluorinated Molybdenum Oxide Selenite/Tellurite Through Unary Substitution for Enlarging Band Gaps and Second Harmonic Generation","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15444","","","0.71073","MoKα","","0.054","0.0438","","","0.0886","0.0916","","","","","","1.098","","","","has coordinates","258538","2020-10-22","21:15:20",""
"4518152","12.5591","0.0014","11.0137","0.0009","7.2753","0.0008","90","","90","","90","","1006.34","0.18","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- Ba F2 Mo2 O10 Te2 -","- Ba F2 Mo2 O10 Te2 -","- Ba4 F8 Mo8 O40 Te8 -","4","0.5","","Lin, Lin; Jiang, Xingxing; Wu, Chao; Li, Longhua; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","Ba(MoO2F)2(XO3)2 (X = Se and Te): First Cases of Noncentrosymmetric Fluorinated Molybdenum Oxide Selenite/Tellurite Through Unary Substitution for Enlarging Band Gaps and Second Harmonic Generation","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c15444","","","0.71073","MoKα","","0.0358","0.0297","","","0.0643","0.0856","","","","","","1.196","","","","has coordinates","258539","2020-10-22","21:15:44",""
"4518923","16.3786","0.0008","8.1613","0.0004","9.2723","0.0005","90","","90","","90","","1239.43","0.11","149.99","0.1","149.99","0.1","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- Hg3 P2 S8 -","- Hg3 P2 S8 -","- Hg12 P8 S32 -","4","0.5","","Xing, Wenhao; Liang, Fei; Tang, Chunlan; Uykur, Ece; Lin, Zheshuai; Yao, Jiyong; Yin, Wenlong; Kang, Bin","Highly Distorted [HgS<sub>4</sub>] Motif-Driven Structural Symmetry Degradation and Strengthened Second-Harmonic Generation Response in the Defect Diamond-Like Chalcogenide Hg<sub>3</sub>P<sub>2</sub>S<sub>8</sub>.","ACS applied materials & interfaces","2021","","","","","10.1021/acsami.1c06933","","x-ray","0.71073","MoKα","","0.0153","0.0145","","","0.0353","0.0356","","","","","","1.055","","","","has coordinates","267817","2021-07-29","21:16:09",""
"4519415","26.638","0.003","13.754","0.002","7.5085","0.0009","90","","90","","90","","2751","0.6","296","2","296","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","(E)-2-methoxy-6-(((4-(trifluoromethyl)phenyl)imino)methyl)phenol","","- C15 H12 F3 N O2 -","- C15 H12 F2.994 N O2 -","- C120 H96 F23.952 N8 O16 -","8","1","","Ashfaq, Muhammad; Khalid, Muhammad; Tahir, Muhammad Nawaz; Ali, Akbar; Arshad, Muhammad Nadeem; Asiri, Abdullah M.","Synthesis of Crystalline Fluoro-Functionalized Imines, Single Crystal Investigation, Hirshfeld Surface Analysis, and Theoretical Exploration.","ACS omega","2022","7","11","9867","9878","10.1021/acsomega.2c00288","","","0.71073","MoKα","","0.0572","0.0387","","","0.076","0.0842","","","","","","1.016","","","","has coordinates,has disorder","274266","2022-04-03","20:16:22",""
"7036967","14.3553","0.0008","15.2389","0.0011","8.8543","0.0007","90","","90","","90","","1937","0.2","150","2","150","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C16 H24 B2 Fe N6 -","- C16 H24 B2 Fe N6 -","- C64 H96 B8 Fe4 N24 -","4","0.5","","Zhou, Jian; Zhu, Bo-Wen; Luan, Jie; Liu, Zhan; Fang, Jing-Kun; Bao, Xin; Peng, Guo; Tucek, Jiri; Bao, Song-Song; Zheng, Li-Min","In air a spin crossover active iron(ii) complex of amine/NCBH3(-) ligands is converted to a low spin complex of imine/CN(-) ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20551","20561","10.1039/c5dt03464g","","","0.71073","MoKα","","0.042","0.0294","","","0.0591","0.063","","","","","","1.044","","","","has coordinates","206166","2020-10-21","18:00:00",""
"7036968","14.3196","0.0018","15.4416","0.0014","9.451","0.001","90","","90","","90","","2089.8","0.4","373","2","373","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C16 H24 B2 Fe N6 -","- C16 H24 B2 Fe N6 -","- C64 H96 B8 Fe4 N24 -","4","0.5","","Zhou, Jian; Zhu, Bo-Wen; Luan, Jie; Liu, Zhan; Fang, Jing-Kun; Bao, Xin; Peng, Guo; Tucek, Jiri; Bao, Song-Song; Zheng, Li-Min","In air a spin crossover active iron(ii) complex of amine/NCBH3(-) ligands is converted to a low spin complex of imine/CN(-) ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20551","20561","10.1039/c5dt03464g","","","0.71073","MoKα","","0.101","0.0395","","","0.0728","0.1001","","","","","","1.052","","","","has coordinates,has disorder","206166","2020-10-21","18:00:00",""
"7036970","14.329","0.004","15.405","0.004","9.2136","0.0018","90","","90","","90","","2033.8","0.9","298","2","298","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C16 H24 B2 N6 Ni -","- C16 H24 B2 N6 Ni -","- C64 H96 B8 N24 Ni4 -","4","0.5","","Zhou, Jian; Zhu, Bo-Wen; Luan, Jie; Liu, Zhan; Fang, Jing-Kun; Bao, Xin; Peng, Guo; Tucek, Jiri; Bao, Song-Song; Zheng, Li-Min","In air a spin crossover active iron(ii) complex of amine/NCBH3(-) ligands is converted to a low spin complex of imine/CN(-) ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20551","20561","10.1039/c5dt03464g","","","0.71073","MoKα","","0.0784","0.0365","","","0.058","0.0657","","","","","","1.05","","","","has coordinates","206166","2020-10-21","18:00:00",""
"7038038","19.02","0.004","30.995","0.006","31.396","0.006","90","","90","","90","","18509","6","113.15","","113.15","","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C145 H167 Br14 Co14 N28 O44 -","- C145 H167 Br14 Co14 N28 O44 -","- C580 H668 Br56 Co56 N112 O176 -","4","0.5","","Zhang, Yanping; Lv, Rui; Wang, Jingyao; Yang, Linyan; Liao, Shengyun; Tian, Jinlei; Gu, Wen; Liu, Xin","Two novel μ6-O2- bridged Co14/Ni14 hydroxamate Clusters packed in distorted face-centered cubic patterns","Dalton Transactions","2016","45","8","3247","3250","10.1039/C5DT03974F","","","0.71073","MoKα","","0.1076","0.0735","","","0.1634","0.1807","","","","","","1.065","","","","has coordinates,has disorder","206167","2020-10-21","18:00:00",""
"7040916","38.243","0.004","11.6015","0.0011","16.5828","0.0019","90","","90","","90","","7357.4","1.3","100","2","100","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C69 H78 Cl2 N4 O12 Re4 S4 -","- C69 H78 Cl2 N4 O12 Re4 S4 -","- C276 H312 Cl8 N16 O48 Re16 S16 -","4","0.5","","Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel","Synthesis, characterization, and gas-phase fragmentation of rhenium-carbonyl complexes bearing imidazol(in)ium-2-dithiocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18346","18355","10.1039/c6dt03428d","","x-ray","0.7107","MoKα","","0.0695","0.0467","","","0.0934","0.1013","","","","","","0.997","","","","has coordinates","190152","2020-10-21","18:00:00",""
"7040918","37.853","0.003","11.623","0.0009","16.6584","0.0012","90","","90","","90","","7329.1","1","100","2","100","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C69 H74 Cl2 N4 O12 Re4 S4 -","- C69 H74 Cl2 N4 O12 Re4 S4 -","- C276 H296 Cl8 N16 O48 Re16 S16 -","4","0.5","","Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel","Synthesis, characterization, and gas-phase fragmentation of rhenium-carbonyl complexes bearing imidazol(in)ium-2-dithiocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18346","18355","10.1039/c6dt03428d","","x-ray","0.7107","MoKα","","0.1548","0.0817","","","0.1685","0.2116","","","","","","1.004","","","","has coordinates","190152","2020-10-21","18:00:00",""
"7041693","38.0525","0.0012","11.428","0.0004","16.6104","0.0006","90","","90","","90","","7223.3","0.4","100","2","100","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C69 H74 Cl2 Mn4 N4 O12 S4 -","- C69 H74 Cl2 Mn4 N4 O12 S4 -","- C276 H296 Cl8 Mn16 N16 O48 S16 -","4","0.5","","Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel","Mono- and bimetallic manganese-carbonyl complexes and clusters bearing imidazol(in)ium-2-dithiocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1779","1788","10.1039/c6dt04780g","","x-ray","0.7107","MoKα","","0.0475","0.0368","","","0.0689","0.0721","","","","","","0.982","","","","has coordinates","193813","2020-10-21","18:00:00",""
"7041694","38.3937","0.0013","11.4255","0.0004","16.4614","0.0006","90","","90","","90","","7221.1","0.4","100","2","100","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C69 H78 Cl2 Mn4 N4 O12 S4 -","- C69 H78 Cl2 Mn4 N4 O12 S4 -","- C276 H312 Cl8 Mn16 N16 O48 S16 -","4","0.5","","Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel","Mono- and bimetallic manganese-carbonyl complexes and clusters bearing imidazol(in)ium-2-dithiocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1779","1788","10.1039/c6dt04780g","","x-ray","0.7107","MoKα","","0.0479","0.0388","","","0.0782","0.0819","","","","","","1.021","","","","has coordinates","193813","2020-10-21","18:00:00",""
"7042123","19.9166","0.0013","24.7493","0.0017","10.2572","0.0007","90","","90","","90","","5056","0.6","293","2","296","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C26 H32 Br15 Cu11 N4 -","- C26 H32 Br15 Cu11 N4 -","- C104 H128 Br60 Cu44 N16 -","4","0.5","","Lei, Xiao-Wu; Yue, Cheng-Yang; Wang, Sai; Gao, Hui; Wang, Wei; Wang, Ning; Yin, Yun-Dong","Di-pyridyl organic cation directed hybrid cuprous halogenides: syntheses, crystal structures and photochromism and photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4209","4217","10.1039/c7dt00262a","","","0.71073","MoKα","","0.0618","0.0506","","","0.1385","0.1467","","","","","","1.03","","","","has coordinates","195078","2020-10-21","18:00:00",""
"7042126","20.623","0.003","25.633","0.003","10.6807","0.0013","90","","90","","90","","5646.1","1.3","293","2","296","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C26 H32 Cu11 I15 N4 -","- C26 H32 Cu11 I15 N4 -","- C104 H128 Cu44 I60 N16 -","4","0.5","","Lei, Xiao-Wu; Yue, Cheng-Yang; Wang, Sai; Gao, Hui; Wang, Wei; Wang, Ning; Yin, Yun-Dong","Di-pyridyl organic cation directed hybrid cuprous halogenides: syntheses, crystal structures and photochromism and photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4209","4217","10.1039/c7dt00262a","","","0.71073","MoKα","","0.0275","0.0243","","","0.0524","0.0536","","","","","","1.036","","","","has coordinates","195078","2020-10-21","18:00:00",""
"7044484","14.0362","0.0007","29.3317","0.0014","32.4846","0.0016","90","","90","","90","","13374.1","1.1","293","2","293","2","","","","","","","","8","A e a 2","A 2 -2ab","41","","","","- C29.5 H41 Cl2 F6 Ir N2 O0.5 P -","- C29.5 H41 Cl2 F6 Ir N2 O0.5 P -","- C472 H656 Cl32 F96 Ir16 N32 O8 P16 -","16","2","","Li, Juanjuan; Guo, Lihua; Tian, Zhenzhen; Tian, Meng; zhang, shumiao; Xu, Ke; Qian, Yuchuan; Liu, Zhe","Novel half-sandwich iridium(III) imino-pyridyl complexes showing remarkable in vitro anticancer activity","Dalton Trans.","2017","","","","","10.1039/C7DT03265J","","","0.71073","MoKα","","0.0612","0.0435","","","0.0974","0.1051","","","","","","1.001","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7047118","14.8731","0.001","14.7823","0.0009","25.3833","0.0015","90","","90","","90","","5580.7","0.6","173","","173","","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C44 H84 Cl6 N2 P4 Zr2 -","- C44 H84 Cl6 N2 P4 Zr2 -","- C176 H336 Cl24 N8 P16 Zr8 -","4","0.5","","Sekiguchi, Yoshiya; Meng, Fanqiang; Tanaka, Hiromasa; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Synthesis and reactivity of titanium- and zirconium-dinitrogen complexes bearing anionic pyrrole-based PNP-type pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11322","11326","10.1039/c8dt02739k","","","0.71075","MoKα","","0.0638","0.0568","","","0.1131","0.1168","","","","","","1","","","","has coordinates","229419","2020-10-21","18:00:00",""
"7047948","8.59299","0.0001","13.68873","0.00015","8.50066","0.0001","90","","90","","90","","999.91","0.02","344","","344","","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- B4 H20 N2 Sr -","- B4 H20 N2 Sr -","- B16 H80 N8 Sr4 -","4","0.5","","Jørgensen, Mathias; Lee, Young-Su; Bjerring, Morten; Jepsen, Lars H.; Akbey, Ümit; Cho, Young Whan; Jensen, Torben R.","Disorder induced polymorphic transitions in the high hydrogen density compound Sr(BH<sub>4</sub>)<sub>2</sub>(NH<sub>3</sub>BH<sub>3</sub>)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16737","16746","10.1039/c8dt03654c","powder diffraction","","0.69449","Synchrotron","","","","","","","","","3.6651","","","","","","","","has coordinates","229630","2020-10-21","18:00:00",""
"7056118","17.6722","0.0007","17.3463","0.0007","7.397","0.0003","90","","90","","90","","2267.53","0.16","296","2","296","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C18 H22 Cl2 Cu N8 O3 -","- C18 H22 Cl2 Cu N8 O3 -","- C72 H88 Cl8 Cu4 N32 O12 -","4","0.5","","Lavrenova, Ludmila G.; Kuz'menko, Tatyana A.; Ivanova, Alina D.; Smolentsev, Anton I.; Komarov, Vladislav; Bogomyakov, Artem Stepanovich; Sheludyakova, Lilia A.; Vorontsova, Elena V.","Synthesis, magnetic and cytotoxic properties of copper(II) halide complexes with 1,2,4-triazolo[1,5-a] benzimidazoles","New J. Chem.","2017","","","","","10.1039/C7NJ00533D","","","0.71073","MoKα","","0.0295","0.0278","","","0.0753","0.0763","","","","","","1.066","","","","has coordinates","195686","2020-10-21","18:00:00",""
"7059110","15.1031","0.0018","17.648","0.002","13.8061","0.0016","90","","90","","90","","3679.9","0.7","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C32 H40 Cu4 I2 N10 -","- C32 H40 Cu4 I2 N10 -","- C128 H160 Cu16 I8 N40 -","4","0.5","","Jana, Oishi; Mani, Ganesan","New types of Cu and Ag clusters supported by the pyrrole-based NNN-pincer type ligand","New Journal of Chemistry","2017","41","17","9361","","10.1039/C7NJ01009E","","","0.71073","MoKα","","0.0172","0.017","","","0.0457","0.0458","","","","","","1.071","","","","has coordinates","235710","2020-10-21","18:00:00",""
"7059117","21.595","0.006","18.986","0.006","7.676","0.002","90","","90","","90","","3147.2","1.6","293","2","293","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C5 H14 N14 O7 -","- C5 H14 N14 O7 -","- C40 H112 N112 O56 -","8","1","","Huang, Haifeng; Li, Ying; Yang, Jun; Pan, Renming; Lin, Xiangyang","Materials with good energetic properties resulting from the smart combination of nitramino and dinitromethyl group with furazan","New Journal of Chemistry","2017","41","15","7697","","10.1039/C7NJ01417A","","","0.71073","MoKα","","0.0753","0.0576","","","0.1338","0.144","","","","","","1.018","","","","has coordinates","235714","2020-10-21","18:00:00",""
"7059126","25.339","0.0012","10.4719","0.0007","15.6589","0.0007","90","","90","","90","","4155","0.4","296","2","296","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C23 H23 N3 O3 -","- C23 H23 N3 O3 -","- C184 H184 N24 O24 -","8","1","","Huang, Ying; Min, Wei; Wu, Qiu-Wen; Sun, Jing; Shi, Da-Hua; Yan, Chao-Guo","Facile one-pot synthesis of spirooxindole-pyrrolidine derivatives and their antimicrobial and acetylcholinesterase inhibitory activities","New Journal of Chemistry","2018","42","19","16211","","10.1039/C8NJ03813A","","","0.71073","MoKα","","0.0661","0.0384","","","0.0778","0.0825","","","","","","1.022","","","","has coordinates,has disorder","236875","2020-10-21","18:00:00",""
"7061629","13.725","0.002","13.75","0.002","10.9708","0.0017","90","","90","","90","","2070.4","0.5","296","2","296.15","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C14 H30 N4 O8 Re2 -","- C14 H30 N4 O8 Re2 -","- C56 H120 N16 O32 Re8 -","4","0.5","","You, Xiuli; Rao, Wenjun; Han, Keke; Wang, Lingyu; Zhang, Mengxia; Wei, Zhenhong","Two quasi-spherical molecules [1,4-diazabicyclo(3.2.2)nonane]X (X = ClO4, ReO4) exhibit switchable phase transition, dielectric and second-harmonic-generation properties","New Journal of Chemistry","2022","46","30","14404","14409","10.1039/D2NJ02531K","","","0.71073","MoKα","","0.0378","0.0298","","","0.0666","0.0715","","","","","","1.139","","","","has coordinates","277133","2022-08-06","11:58:13",""
"7100572","12.149","0.0004","20.4254","0.0009","7.2291","0.0003","90","","90","","90","","1793.89","0.12","100","","100","","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C88 H104 N8 O4 -","4","0.5","","Ebran, Jean-Philippe; Hazell, Rita G.; Skrydstrup, Troels","Samarium diiodide-induced intramolecular pinacol coupling of dinitrones: synthesis of cyclic cis-vicinal diamines","Chemical Communications (Cambridge, United Kingdom)","2005","","43","5402","5404","10.1039/b511491h","","","","","","","","","","","","","","","","","","","","","has coordinates","210944","2020-10-21","18:00:00",""
"7118054","22.3839","0.0014","36.433","0.002","10.0332","0.0007","90","","90","","90","","8182.2","0.9","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","HYC-Tetrazole","","- C22 H15 I N4 O -","- C22 H15 I N4 O -","- C352 H240 I16 N64 O16 -","16","2","","Hu, Yancheng; Yi, Ruxia; Yu, Xinzhang; Xin, Xiaoyi; Wang, Chunxiang; Wan, Boshun","O-Transfer-facilitated cyclizations of propargylamides with TMSN3: selective synthesis of tetrazoles and dihydroimidazoles.","Chemical communications (Cambridge, England)","2015","51","84","15398","15401","10.1039/c5cc05715a","","","0.71073","MoKα","","0.0412","0.0337","","","0.0694","0.0727","","","","","","0.994","","","","has coordinates","206166","2020-10-21","18:00:00",""
"7118696","23.5831","0.0006","17.9998","0.0005","16.1483","0.0004","90","","90","","90","","6854.8","0.3","100","2","100","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C38 H51 Co N2 O -","- C38 H51 Co N2 O -","- C304 H408 Co8 N16 O8 -","8","1","","Andjaba, John M.; Tye, Jesse W.; Yu, Pony; Pappas, Iraklis; Bradley, Christopher A.","Cp*Co(IPr): synthesis and reactivity of an unsaturated Co(i) complex.","Chemical communications (Cambridge, England)","2016","52","12","2469","2472","10.1039/c5cc06756a","","","1.54178","CuKα","","0.0664","0.0565","","","0.1357","0.1448","","","","","","0.9884","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7120325","11.3361","0.0013","48.595","0.006","9.4566","0.0011","90","","90","","90","","5209.4","1.1","291","2","291","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C29 H28 N4 O4 -","- C29 H28 N4 O4 -","- C232 H224 N32 O32 -","8","1","","Tian, Xiaohe; Zhu, Yingzhong; Zhang, Qiong; Zhang, Ruilong; Wu, Jieying; Tian, Yupeng","Halides Tuning Subcellular-Targeting in Two-Photon Emissive Complexes via Different Uptake Mechanisms","Chem. Commun.","2017","","","","","10.1039/C7CC03640J","","","0.71073","MoKα","","0.0699","0.0535","","","0.154","0.1723","","","","","","1.043","","","","has coordinates","198100","2020-10-21","18:00:00",""
"7123437","8.05576","0.00016","24.7866","0.0005","15.4543","0.0003","90","","90","","90","","3085.84","0.11","173","","173","","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C144 H160 O32 -","8","1","","Nambu, Hisanori; Onuki, Yuta; Ono, Naoki; Tsuge, Kiyoshi; Yakura, Takayuki","Ring-opening cyclization of spirocyclopropanes with stabilized sulfonium ylides for the construction of a chromane skeleton","Chemical Communications","2019","","","","","10.1039/C9CC03023A","","","1.54187","CuKα","","0.0259","0.0248","","","0.0632","0.0636","","","","","","1.033","","","","has coordinates","215148","2020-10-21","18:00:00",""
"7125353","10.8663","0.0005","8.5571","0.0003","22.5617","0.001","90","","90","","90","","2097.88","0.15","173","2","173","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- C24 H20 S4 -","- C24 H20 S4 -","- C96 H80 S16 -","4","0.5","","Phan, Ngoc-Minh; Zakharov, Lev N.; Johnson, Darren W.","Copper(ii) serves as an efficient additive for metal-directed self-assembly of over 20 thiacyclophanes.","Chemical communications (Cambridge, England)","2018","54","95","13419","13422","10.1039/c8cc08095j","","","1.54178","CuKα","","0.0799","0.0705","","","0.1777","0.1885","","","","","","1.021","","","","has coordinates","236776","2020-10-21","18:00:00",""
"7125562","8.838","0.002","41.52","0.001","8.769","0.005","90","","90","","90","","3218","2","293","2","","","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C11 H19 I7 N3 Pb2 S2 -","- C11 H15.28 I7 N3 Pb2 S2 -","- C44 H61.12 I28 N12 Pb8 S8 -","4","0.5","","Zhu, Xu-Hui; Mercier, Nicolas; Riou, Amédée; Blanchard, Philippe; Frère, Pierre","(C4H3SCH2NH3)2(CH3NH3)Pb2I7: non-centrosymmetrical crystal structure of a bilayer hybrid perovskite.","Chemical communications (Cambridge, England)","2002","","18","2160","2161","10.1039/b205543k","","x-ray","0.71073","MoKα","","","0.0344","","","","0.0933","","","","","","0.972","","","","has coordinates","244040","2020-10-21","18:00:00",""
"7125842","15.828","0.006","16.995","0.006","16.819","0.01","90","","90","","90","","4524","4","150","2","150","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- C56 H59 N -","- C56 H59 N -","- C224 H236 N4 -","4","0.5","","Vrána, Jan; Samsonov, Maksim A.; Němec, Vlastimil; RůŽička, Aleš","Access to the most sterically crowded anilines via non-catalysed C-C coupling reactions.","Chemical communications (Cambridge, England)","2020","56","16","2487","2490","10.1039/c9cc09497k","","","0.71073","MoKα","","0.0778","0.0544","","","0.1118","0.1219","","","","","","1.04","","","","has coordinates","248823","2020-10-21","18:00:00",""
"7126188","13.2673","0.0003","66.3212","0.0015","19.2434","0.0005","90","","90","","90","","16932.3","0.7","173","2","173","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","2,6-Bis[1-(4-carboxyphenylimino)ethyl] pyridine cobalt chloride, 2,6-Bis[1-(4-carboxyphenylimino)ethyl] pyridine cobalt, acetonitrile solvate","","- C150 H130 Cl4 Co3 N24 O24 -","- C150 H130 Cl4 Co3 N24 O24 -","- C600 H520 Cl16 Co12 N96 O96 -","4","0.5","","Wang, Hao; Sayed, Sayed Youssef; Zhou, Yuqiao; Olsen, Brian C.; Luber, Erik J.; Buriak, Jillian M.","Water-soluble pH-switchable cobalt complexes for aqueous symmetric redox flow batteries.","Chemical communications (Cambridge, England)","2020","56","25","3605","3608","10.1039/d0cc00383b","","","1.54178","CuKα","","0.074","0.061","","","0.1369","0.1446","","","","","","1.052","","","","has coordinates","250183","2020-10-21","18:00:00",""
"7127827","16.7467","0.0004","21.6002","0.0005","7.8088","0.0002","90","","90","","90","","2824.69","0.12","293","2","293","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- C19 H15 N -","- C19 H15 N -","- C152 H120 N8 -","8","1","","Qi, Zhi-Chao; Lou, Qin-Xin; Niu, Yuan; Yang, Shang-Dong","Temporary (P[double bond, length as m-dash]O) directing group enabled carbazole ortho arylation via palladium catalysis.","Chemical communications (Cambridge, England)","2021","57","16","2021","2024","10.1039/d0cc07596e","","x-ray","1.54184","CuKα","","0.0397","0.0379","","","0.0979","0.1007","","","","","","1.041","","","","has coordinates","262478","2021-03-05","01:17:43",""
"7130092","32.3895","0.0002","27.404","0.0002","28.0141","0.0002","90","","90","","90","","24865.4","0.3","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C48 H24 N16 O20 Zn8 -","- C48 H24 N16 O20 Zn8 -","- C384 H192 N128 O160 Zn64 -","8","1","","Li, Jia-Li; Xiong, Xiao; Luo, Dong; Wei, Yu-Bai; Lu, Weigang; Li, Dan","Formaldehyde recognition through aminal formation in a luminescent metal–organic framework","Chemical Communications","2022","","","","","10.1039/D2CC02041F","","","1.54184","CuKα","","0.1145","0.1133","","","0.307","0.3107","","","","","","1.568","","","","has coordinates","275416","2022-05-13","21:54:17",""
"7131424","7.915","0.0016","13.333","0.003","8.8132","0.0018","90","","90","","90","","930.1","0.3","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","Cu-ZIF-sql","di-(2-formylimidazolate)copper(II)","","- C8 H6 Cu N4 O2 -","- C8 H6 Cu N4 O2 -","- C32 H24 Cu4 N16 O8 -","4","0.5","","Jung, Cheolwon; Choi, Sang Beom; Park, Jaewoo; Jung, Minji; Kim, Jonghoon; Oh, Hyunchul; Kim, Jaheon","Porous zeolitic imidazolate frameworks assembled with highly-flattened tetrahedral copper(II) centres and 2-nitroimidazolates.","Chemical communications (Cambridge, England)","2023","59","27","4040","4043","10.1039/d2cc06797h","","","0.7","synchrotron","","0.0823","0.0763","","","0.2348","0.2484","","","","","","1.158","","","","has coordinates","282270","2023-04-04","09:49:17",""
"7132161","11.4339","0.0005","9.3891","0.0004","24.5636","0.0011","90","","90","","90","","2637","0.2","293","2","293","","","","","","","","","4","A e a 2","A 2 -2ab","41","","1-cis","","- C28 H32 N6 O2 -","- C28 H32 N6 O2 -","- C112 H128 N24 O8 -","4","0.5","","Xiong, Shenglun; Zhang, Yi; Jiang, Yunqi; Wang, Fei; Zhou, Wei; Li, Aimin; Zhang, Qinpeng; Wang, Qiuan; He, Qing","Photo–Controllable Binding and Release of HP2O73– Using an Azobenzene based Smart Macrocycle","Chemical Communications","2023","","","","","10.1039/D3CC03608A","","x-ray","1.54184","CuKα","","0.0373","0.0356","","","0.0917","0.0941","","","","","","1.0647","","","","has coordinates","286604","2023-09-30","21:55:07",""
"7158112","13.4208","0.0012","26.557","0.002","8.6349","0.0009","90","","90","","90","","3077.6","0.5","223","2","223","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C10 H16 F5 N O4 S -","- C10 H16 F5 N O4 S -","- C80 H128 F40 N8 O32 S8 -","8","1","","Dudziński, Piotr; Husstedt, Wibke S.; Matsnev, Andrej V.; Thrasher, Joseph S.; Haufe, Günter","Synthesis and [3,3]-sigmatropic rearrangements of 5-(pentafluorosulfanyl)-pent-3-en-2-ol, its homologues, and trifluoromethyl analogues.","Organic & biomolecular chemistry","2021","19","25","5607","5623","10.1039/d1ob00870f","","","1.54178","CuKα","","0.0637","0.0574","","","0.1561","0.1643","","","","","","1.047","","","","has coordinates,has disorder","267239","2021-07-05","18:13:03",""
"7158793","22.524","0.002","24.034","0.007","7.426","0.006","90","","90","","90","","4020","3","294","2","294","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C45 H38 Cl2 F2 N6 O6 -","- C45 H38 Cl2 F2 N6 O6 -","- C180 H152 Cl8 F8 N24 O24 -","4","0.5","","Thadem, Nagender; Rajesh, Manda; Balaboina, Harikrishna; Das, Saibal","Synthesis of bridgehead-azacycles <i>via</i> dual C-N/C-C annulation of α-amino acids, aminals and maleimides.","Organic & biomolecular chemistry","2022","","","","","10.1039/d2ob01117d","","","0.71073","MoKα","","0.066","0.0407","","","0.0864","0.0991","","","","","","0.956","","","","has coordinates,has disorder","276877","2022-07-23","02:31:53",""
"7223536","14.6547","0.0005","34.5808","0.0013","35.0669","0.0011","90","","90","","90","","17770.9","1.1","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C84 H89.5 Fe2 N20 O8.75 -","- C84 H89.5 Fe2 N20 O8.75 -","- C672 H716 Fe16 N160 O70 -","8","1","","Papadakis, Raffaello; Deligkiozi, Ioanna; Giorgi, Michel; Faure, Bruno; Tsolomitis, Athanase","Supramolecular complexes involving non-symmetric viologen cations and hexacyanoferrate(II) anions. A spectroscopic, crystallographic and computational study.","RSC Advances","2015","6","1","575","585","10.1039/C5RA16732A","","x-ray","0.71073","MoKα","","0.1107","0.0875","","","0.242","0.2694","","","","","","1.042","","","","has coordinates,has disorder","206167","2020-10-21","18:00:00",""
"7223564","13.476","0.004","19.011","0.004","9.349","0.003","90","","90","","90","","2395.1","1.2","298","2","298","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C24 H18 Cl2 F2 Mn N4 O2 -","- C24 H18 Cl2 F2 Mn N4 O2 -","- C96 H72 Cl8 F8 Mn4 N16 O8 -","4","0.5","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Azhdari Tehrani, Alireza","The role of intermolecular interactions involving halogens in the supramolecular architecture of a series of Mn(II) coordination compounds","RSC Adv.","2015","","","","","10.1039/C5RA25192C","","","0.71073","MoKα","","0.067","0.0461","","","0.0746","0.0894","","","","","","1.011","","","","has coordinates","171627","2020-10-21","18:00:00",""
"7229249","10.2729","0.0003","18.1781","0.0005","10.7119","0.0003","90","","90","","90","","2000.36","0.1","296","2","296","2","","","","","","","","6","A e a 2","A 2 -2ab","41","Zinc diphosphonate dabco","","","- C10 H20 N2 O14 P4 Zn3 -","- C10 H20 N2 O14 P4 Zn3 -","- C40 H80 N8 O56 P16 Zn12 -","4","0.5","","Paul, Avijit Kumar; Kanagaraj, Rajendiran; Jana, Ajay; Maji, Pradip","Novel Amine Templated Three-Dimensional Zinc-Organophosphonates with Variable Pore-Openings","CrystEngComm","2017","","","","","10.1039/C7CE00994A","","","0.71073","MoKα","","0.0308","0.0285","","","0.0794","0.0929","","","","","","1.152","","","","has coordinates","201290","2020-10-21","18:00:00",""
"7229719","21.784","0.011","27.581","0.014","9.343","0.005","90","","90","","90","","5614","5","150","2","150","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C37 H29 N3 S -","- C37 H29 N3 S -","- C296 H232 N24 S8 -","8","1","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.0538","","","","0.0646","","","","","","1.08","","","","has coordinates","204214","2020-10-21","18:00:00",""
"7233773","15.1324","0.0005","19.6891","0.0007","9.9117","0.0003","90","","90","","90","","2953.12","0.17","173","2","173","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C31 H33 Ir N4 O6 -","- C31 H33 Ir N4 O6 -","- C124 H132 Ir4 N16 O24 -","4","0.5","","Jieun Lee; Hankook Oh; Jinho Kim; Ki-Min Park; Kyoung Soo Yook; Jun Yeob Lee; Youngjin Kang","Fluorine-free blue phosphorescent emitters for efficient phosphorescent organic light emitting diodes","Journal of Materials Chemistry C","2014","2","","6040","6047","10.1039/C4TC00715H","","","0.71073","MoKα","","0.0278","0.0203","","","0.0504","0.0547","","","","","","1.055","","","","has coordinates","218171","2020-10-21","18:00:00",""
"7234942","41.3632","0.0011","18.7393","0.0004","17.7052","0.0004","90","","90","","90","","13723.6","0.6","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C22.86 H14.62 N0.6 O8.12 Zn2 -","- C22.863 H14.609 N0.595 O8.121 Zn2 -","- C365.808 H233.744 N9.52 O129.936 Zn32 -","16","2","","Pan, Ying; Ding, Qiongjie; Xu, Hongjia; Shi, Chunyue; Singh, Amita; Kumar, Abhinav; Liu, Jianqiang","A new Zn(ii)-based 3D metal‒organic framework with uncommon sev topology and its photocatalytic properties for the degradation of organic dyes","CrystEngComm","2019","21","31","4578","","10.1039/C9CE00759H","","","0.71073","MoKα","","0.0847","0.07","","","0.17","0.1791","","","","","","1.062","","","","has coordinates,has disorder","223250","2020-10-21","18:00:00",""
"7234999","14.5818","0.0013","28.597","0.002","9.1804","0.0007","90","","90","","90","","3828.2","0.5","273.15","","273.15","","","","","","","","","4","A e a 2","A 2 -2ab","41","","5I","","- C24 H16 N4 O -","- C24 H16 N4 O -","- C192 H128 N32 O8 -","8","1","","Vala, Ruturajsinh M.; Patel, Divyang M.; Sharma, Mayank G.; Patel, Hitendra M.","Impact of an aryl bulky group on a one-pot reaction of aldehyde with malononitrile and N-substituted 2-cyanoacetamide","RSC Advances","2019","9","49","28886","","10.1039/C9RA05975J","","","0.71073","MoKα","","0.1024","0.0998","","","0.3099","0.3136","","","","","","2.7026","","","","has coordinates","223462","2020-10-21","18:00:00",""
"7235417","26.9518","0.0017","12.3277","0.0008","15.2781","0.001","90","","90","","90","","5076.2","0.6","90","","90","","","","","","","","","3","A e a 2","A 2 -2ab","41","","4,4'‒bis(9-carbazolyl)biphenyl","","- C36 H24 N2 -","- C36 H24 N2 -","- C288 H192 N16 -","8","1","","Gleason, Cody J.; Cox, Jordan M.; Walton, Ian M.; Benedict, Jason B.","Polymorphism and the influence of crystal structure on the luminescence of the opto-electronic material 4,4′-bis(9-carbazolyl)biphenyl","CrystEngComm","2014","16","33","7621","","10.1039/C4CE01056F","","x-ray","0.71073","MoKα","","0.0372","0.0318","","","0.0714","0.0737","","","","","","1.07","","","","has coordinates","232769","2020-10-21","18:00:00",""
"7235715","24.962","0.003","16.401","0.002","9.4116","0.001","90","","90","","90","","3853.1","0.8","113","2","113","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C15 H8 N10 O10 -","- C15 H8 N10 O10 -","- C120 H64 N80 O80 -","8","1","","Wu, Bo; Yang, Hongwei; Wang, Zhixin; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","Synthesis and characterization of new energetic derivatives containing a high nitrogen content moiety and picryl group: a new strategy for incorporating the picryl functionality","RSC Adv.","2014","4","95","53282","","10.1039/C4RA08084J","","","0.71075","MoKα","","0.1149","0.0673","","","0.1507","0.1815","","","","","","0.963","","","","has coordinates","233246","2020-10-21","18:00:00",""
"7236164","17.4049","0.0009","17.5945","0.001","11.9876","0.0007","90","","90","","90","","3671","0.4","100","2","100","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C36 H32 Cl2 Cu N8 O8 -","- C36 H32 Cl2 Cu N8 O8 -","- C144 H128 Cl8 Cu4 N32 O32 -","4","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0355","0.0317","","","0.0762","0.0787","","","","","","1.053","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236177","31.98","0.03","7.904","0.007","26.8","0.03","90","","90","","90","","6774","12","296","2","296.15","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C64 H42 Cd3 N10 O13 -","- C64 H42 Cd3 N10 O13 -","- C256 H168 Cd12 N40 O52 -","4","0.5","","Wang, Xiao-Xiao; Wang, Xiao-Qing; Niu, Xiao-Yan; Hu, Tuo-Ping","Three novel metal‒organic frameworks based on an unsymmetrical rigid carboxylate ligand for luminescence sensing of nitrobenzene derivatives and magnetic properties","CrystEngComm","2016","18","39","7471","","10.1039/C6CE01457G","","","0.71073","MoKα","","0.0488","0.0458","","","0.0989","0.0999","","","","","","1.105","","","","has coordinates","234713","2020-10-21","18:00:00",""
"7237091","32.26","0.03","16.224","0.015","7.12","0.007","90","","90","","90","","3727","6","296","2","296","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C21 H21 O3 P -","- C21 H21 O3 P -","- C168 H168 O24 P8 -","8","1","","Shen, Ruwei; Zhang, Ming; Xiao, Jing; Dong, Chao; Han, Li-Biao","Ph3P-mediated highly selective C(α)‒P coupling of quinone monoacetals with R2P(O)H: convenient and practical synthesis of ortho-phosphinyl phenols","Green Chemistry","2018","20","22","5111","","10.1039/C8GC02918K","","","0.71073","MoKα","","0.0355","0.0325","","","0.0835","0.0851","","","","","","1.049","","","","has coordinates","236864","2020-10-21","18:00:00",""
"7237099","12.408","0.002","19.368","0.003","9.808","0.0016","90","","90","","90","","2357","0.7","296","2","296","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C26 H22 Cl0 Co N8 O2 -","- C26 H22 Co N8 O2 -","- C104 H88 Co4 N32 O8 -","4","0.5","","Huang, Wei; Li, Yujie; Yong, Juan; Liu, Yang; Wu, Dayu","Hydrazone-based cobalt complexes toward multielectron redox and spin crossover","RSC Advances","2018","8","31","17159","","10.1039/C8RA02963F","","","0.71073","MoKα","","0.0435","0.0427","","","0.1522","0.153","","","","","","1.098","","","","has coordinates","237381","2020-10-21","18:00:00",""
"7238602","23.038","0.002","10.461","0.006","22.989","0.006","90","","90","","90","","5540","4","173","2","173","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C46.5 H51.5 Fe2 N8 O10.5 S8 -","- C46.5 H51.5 Fe2 N8 O10.5 S8 -","- C186 H206 Fe8 N32 O42 S32 -","4","0.5","","Zuo, Weiwei; Rosa, Vitor; Tourbillon, Clarisse; Specklin, David; Khaled, Cheaib; Kurmoo, Mohamedally; Welter, Richard","Mononuclear and dinuclear complexes of manganese(iii) and Iron(iii) supported by 2-salicyloylhydrazono-1,3-dithiane ligand: synthesis, characterization and magnetic properties","RSC Advances","2012","2","6","2517","","10.1039/c2ra01316a","","","0.71073","MoKα","","0.0736","0.0451","","","0.1106","0.125","","","","","","1.007","","","","has coordinates","244251","2020-10-21","18:00:00",""
"7239206","7.166","0.0006","40.204","0.003","6.3427","0.0005","90","","90","","90","","1827.3","0.3","296","2","296","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C84 H76 N12 O8 -","4","0.5","","Wong, Wing-Yan; Lee, Siu-Fung; Chan, Hoi-Shan; Mak, Thomas C. W.; Wong, Chi-Hin; Huang, Lau-Shan; Stoddart, J. Fraser; Cham-Fai Leung, Ken","Recognition between V- and dumbbell-shaped molecules","RSC Advances","2013","3","48","26382","","10.1039/c3ra43470b","","","0.71073","MoKα","","0.0926","0.0439","","","0.092","0.1147","","","","","","1","","","","has coordinates","244598","2020-10-21","18:00:00",""
"7240540","11.0411","0.0004","16.8624","0.0007","28.2059","0.0007","90","","90","","90","","5251.4","0.3","100","","100","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C50 H36 Cl8 I4 N4 -","- C50 H36 Cl8 I4 N4 -","- C200 H144 Cl32 I16 N16 -","4","0.5","","Oburn, Shalisa M.; Santana, Carlos; Elacqua, Elizabeth; Groeneman , Ryan","A diamondoid net sustained by halogen bonds: employing a cyclobutane to generate a tetrahedral architecture","CrystEngComm","2020","","","","","10.1039/D0CE00627K","","","0.71073","MoKα","","0.0144","0.014","","","0.0319","0.0323","","","","","","1.038","","","","has coordinates,has disorder","252073","2020-10-21","18:00:00",""
"7243091","11.3246","0.0003","11.0147","0.0003","9.1513","0.0003","90","","90","","90","","1141.51","0.06","100","0.1","100","0.1","","","","","","","","4","A e a 2","A 2 -2ab","41","","Ammonium pentaborate","","- B5 H12 N O12 -","- B5 H12 N O12 -","- B20 H48 N4 O48 -","4","0.5","","Kusy, Rafał; Grela, Karol","Ligand-free (Z)-selective transfer semihydrogenation of alkynes catalyzed by in situ generated oxidizable copper nanoparticles","Green Chemistry","2021","23","15","5494","5502","10.1039/D1GC01206A","","","0.71073","MoKα","","0.0314","0.0297","","","0.0748","0.0764","","","","","","1.092","","","","has coordinates","268827","2021-09-06","11:48:18",""
"7243326","13.1529","0.0017","18.502","0.003","15.239","0.003","90","","90","","90","","3708.5","1.1","100","","100","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C18 H12 F4 I2 N2 -","- C18 H12 F4 I2 N2 -","- C144 H96 F32 I16 N16 -","8","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0316","0.0239","","","0.0447","0.0503","","","","","","1.061","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243506","26.205","0.011","25.903","0.011","14.652","0.006","90","","90","","90","","9946","7","273","2","273","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C44 H56 N9 O9 Zn2 -","- C46 H60 N4 O12 Zn2 -","- C368 H480 N32 O96 Zn16 -","8","1","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis and characterization of a mononuclear zinc(ii) Schiff base complex: on the importance of C‒H⋯π interactions","RSC Advances","2021","11","48","30148","30155","10.1039/D1RA03943A","","","0.71073","MoKα","","0.0562","0.046","","","0.1205","0.1315","","","","","","1.061","","","","has coordinates","269086","2021-09-10","01:22:31",""
"7244641","26.6725","0.0002","19.708","0.0001","10.3729","0.0001","90","","90","","90","","5452.64","0.07","293","2","293","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C32 H34 N2 O4 -","- C32 H34 N2 O4 -","- C256 H272 N16 O32 -","8","1","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","x-ray","1.54184","CuKα","","0.0333","0.0328","","","0.1063","0.1076","","","","","","0.998","","","","has coordinates","273760","2022-03-17","23:41:26",""
"7244705","16.868","0.003","25.914","0.005","28.838","0.006","90","","90","","90","","12606","4","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C40 H37 Cd2.5 N3 O17.5 -","- C40 H37 Cd2.5 N3 O17.5 -","- C320 H296 Cd20 N24 O140 -","8","1","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710877","Synchrotron","","0.0329","0.0328","","","0.0924","0.0925","","","","","","1.031","","","","has coordinates,has disorder","274181","2022-03-31","22:37:50",""
"7245503","12.806","0.002","16.361","0.003","17.171","0.003","90","","90","","90","","3597.7","1.1","213","2","213","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C18 H40 Cl Fe N10 S6 -","- C18 H40 Cl Fe N10 S6 -","- C72 H160 Cl4 Fe4 N40 S24 -","4","0.5","","Wang, Ping; Chen, Ming-Kun; Tong, Yu-Qiao; Yin, Shi-Qing; Huang, Bo","Structural phase transition and dielectric relaxation in an organic-inorganic hybrid compound: [(CH3)3NH]4[Fe(SCN)6]Cl","CrystEngComm","2022","","","","","10.1039/D2CE01150F","","","0.71075","MoKα","","0.1668","0.0805","","","0.2031","0.2632","","","","","","1.058","","","","has coordinates,has disorder","277965","2022-09-18","22:37:23",""
"7247024","17.7843","0.0002","34.8725","0.0004","7.54963","0.00009","90","","90","","90","","4682.15","0.09","293","2","293","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C28 H23 N5 O -","- C28 H23 N5 O -","- C224 H184 N40 O8 -","8","1","","Sun, Xuancheng; Li, Chaoxiong; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","A highly thermal and pH-stable fluorescence sensor for rapid detection of Hg2+, Fe3+, and tetracycline in aqueous solutions","CrystEngComm","2023","25","32","4531","4538","10.1039/D3CE00571B","","x-ray","1.54184","CuKα","","0.0414","0.0405","","","0.1137","0.1154","","","","","","1.049","","","","has coordinates","286099","2023-09-05","19:37:45",""
"7247099","13.1496","0.0005","21.1566","0.0008","13.3584","0.0004","90","","90","","90","","3716.3","0.2","150","","150","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C35 H42 N2 O12 S2 -","- C35 H42 N2 O12 S2 -","- C140 H168 N8 O48 S8 -","4","0.5","","Christoff, Rebecca M.; Al Bayer, Mohammad; Soares da Costa, Tatiana P.; Perugini, Matthew A.; Abbott, Belinda M.","Enhancing allosteric inhibition of dihydrodipicolinate synthase through the design and synthesis of novel dimeric compounds","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00044C","","x-ray","1.54184","CuKα","","0.054","0.0441","","","0.1173","0.1251","","","","","","1.079","","","","has coordinates","285343","2023-07-26","00:01:26",""
"7247808","18.2458","0.0005","22.4324","0.0007","7.8919","0.0002","90","","90","","90","","3230.13","0.16","90","2","90","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C4 H16 Bi Br5 N2 -","- C4 H16 Bi Br5 N2 -","- C32 H128 Bi8 Br40 N16 -","8","1","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0582","0.0381","","","0.0913","0.0993","","","","","","1.057","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247809","17.5689","0.0007","21.6639","0.0009","7.487","0.0003","90","","90","","90","","2849.6","0.2","90","2","90","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C4 H16 Bi Cl5 N2 -","- C4 H16 Bi Cl5 N2 -","- C32 H128 Bi8 Cl40 N16 -","8","1","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0342","0.0272","","","0.0598","0.0621","","","","","","1.021","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247810","17.7119","0.0005","22.0532","0.0007","7.5527","0.0002","90","","90","","90","","2950.12","0.15","90","2","90","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C4 H16 Bi Br2.12 Cl2.88 N2 -","- C4 H16 Bi Br2.13 Cl2.87 N2 -","- C32 H128 Bi8 Br17.04 Cl22.96 N16 -","8","1","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0769","0.0714","","","0.1279","0.1332","","","","","","1.165","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247811","17.6291","0.0003","21.9787","0.0004","7.512","0.0001","90","","90","","90","","2910.63","0.08","90","2","90","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C4 H16 Bi Br1.15 Cl3.85 N2 -","- C4 H16 Bi Br1.149 Cl3.851 N2 -","- C32 H128 Bi8 Br9.192 Cl30.808 N16 -","8","1","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0418","0.0358","","","0.0796","0.082","","","","","","1.077","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7248548","14.662","0.008","16.055","0.009","21.525","0.013","90","","90","","90","","5067","5","293","2","293","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C17 H24 Br2 N2 O7 Zn2 -","- C17 H24 Br2 N2 O7 Zn2 -","- C136 H192 Br16 N16 O56 Zn16 -","8","1","","Middya, Puspendu; Frontera, Antonio; Chattopadhyay, Shouvik","The crucial role of hydrogen bonding in shaping the structures of zinc-based coordination polymers using tridentate N, N, O donor reduced Schiff base ligands and bridging acetates","RSC Advances","2024","14","20","13905","13914","10.1039/D4RA00550C","","","0.71073","MoKα","","0.0476","0.0359","","","0.1029","0.1134","","","","","","0.959","","","","has coordinates","291376","2024-04-27","01:07:52",""
"7701604","8.7633","0.0008","55.03","0.005","8.7081","0.0007","90","","90","","90","","4199.4","0.6","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C29 H38 I7 N3 Pb2 -","- C29 H35 I7 N3 Pb2 -","- C116 H140 I28 N12 Pb8 -","4","0.5","","Venkatesan, Naveen R.; Mahdi, Ali; Barraza, Brian; Wu, Guang; Chabinyc, Michael L.; Seshadri, Ram","Enhanced yield-mobility products in hybrid halide Ruddlesden-Popper compounds with aromatic ammonium spacers.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14019","14026","10.1039/c9dt03074c","","","0.71073","MoKα","","0.0861","0.0653","","","0.1377","0.1471","","","","","","1.095","","","","has coordinates,has disorder","223317","2020-10-21","18:00:00",""
"7701798","24.479","0.007","10.978","0.003","5.6901","0.0016","90","","90","","90","","1529.1","0.7","296","2","296","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","0.5","","Hu, Min-Na; Zhang, Wen-Qian; Liu, Hua; He, Peng-Xiu; Liu, Ping; Wang, Yao-Yu; Li, Jian-Li","Five complexes based on a new racemic tetraoxaspiro ligand: correlation of potential coordination preferences with the structure, magnetic properties and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3862","3873","10.1039/c8dt04051f","","","0.71073","MoKα","","0.0593","0.0421","","","0.0865","0.0938","","","","","","1.049","","","","has coordinates","223360","2020-10-21","18:00:00",""
"7702007","24.6982","0.0003","22.0178","0.0002","21.7705","0.0004","90","","90","","90","","11838.8","0.3","120.02","0.1","120.02","0.1","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C56 H49.5 Cl4 N14.5 O16 Zn2 -","- C56 H49.5 Cl4 N14.5 O16 Zn2 -","- C448 H396 Cl32 N116 O128 Zn16 -","8","1","","Bodman, Samantha E.; Fitchett, Christopher M.","Conformational control of the self-assembly of triple helicates and [2 ×2]-grids from zinc(II) and 3,6-di(2-pyridyl)pyridazine based ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12606","12613","10.1039/c4dt01416b","","","1.54184","CuKα","","0.0395","0.0365","","","0.0951","0.0971","","","","","","1.031","","","","has coordinates,has disorder","232785","2020-10-21","18:00:00",""
"7702048","9.975","0.0019","30.06","0.007","10.719","0.002","90","","90","","90","","3214.1","1.1","130","","130","","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C38 H44 N2 O2 -","- C38 H44 N2 O2 -","- C152 H176 N8 O8 -","4","0.5","","Kan, Chao; Ge, Jilei; Ma, Haiyan","Aluminum methyl, alkoxide and α-alkoxy ester complexes supported by 6,6'-dimethylbiphenyl-bridged salen ligands: synthesis, characterization and catalysis for rac-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6682","6695","10.1039/c5dt04633e","","","0.71073","MoKα","","0.0706","0.0521","","","0.1235","0.135","","","","","","1.02","","","","has coordinates","233448","2020-10-21","18:00:00",""
"7702093","18.2105","0.0002","17.9198","0.0001","17.5935","0.0001","90","","90","","90","","5741.26","0.08","150","2","150","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C29.5 H34 Cl2 F2 N P Pt -","- C29.5 H34 Cl2 F2 N P Pt -","- C236 H272 Cl16 F16 N8 P8 Pt8 -","8","1","","Shaw, Paul A.; Phillips, Jessica M.; Clarkson, Guy J.; Rourke, Jonathan P.","Trapping five-coordinate platinum(iv) intermediates.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11397","11406","10.1039/c6dt02088g","","x-ray","1.54178","CuKα","","0.0285","0.0264","","","0.0641","0.0656","","","","","","1.051","","","","has coordinates,has disorder","234743","2020-10-21","18:00:00",""
"7702128","17.8735","0.0009","20.9554","0.0014","20.7462","0.0013","90","","90","","90","","7770.4","0.8","173","2","173","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C18 H10 N10 O8 Zn2 -","- C18 H10 N10 O8 Zn2 -","- C144 H80 N80 O64 Zn16 -","8","1","","Li, Qin; Yu, Mei-Hui; Xu, Jian; Li, Ai-Lin; Hu, Tong-Liang; Bu, Xian-He","Two new metal-organic frameworks based on tetrazole-heterocyclic ligands accompanied by in situ ligand formation.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3223","3228","10.1039/c7dt00005g","","","0.71073","MoKα","","0.11","0.0813","","","0.2076","0.223","","","","","","1.053","","","","has coordinates","235629","2020-10-21","18:00:00",""
"7702130","23.9792","0.001","29.3525","0.0012","18.8532","0.0008","90","","90","","90","","13269.8","1","173","2","173","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C60 H68 Br Fe N8 -","- C60 H68 Br Fe N8 -","- C480 H544 Br8 Fe8 N64 -","8","1","","Simler, Thomas; Danopoulos, Andreas A.; Braunstein, Pierre","Non-symmetrical, potentially redox non-innocent imino NHC pyridine 'pincers' via a zinc ion template-assisted synthesis.","Dalton transactions (Cambridge, England : 2003)","2017","46","18","5955","5964","10.1039/c7dt01014a","","","0.71073","MoKα","","0.104","0.0497","","","0.0804","0.0908","","","","","","0.875","","","","has coordinates","235633","2020-10-21","18:00:00",""
"7702163","9.7458","0.0002","20.3853","0.0004","17.2757","0.0003","90","","90","","90","","3432.18","0.11","193","2","193","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C34 H42 Mo N4 O7 -","- C34 H42 Mo N4 O7 -","- C136 H168 Mo4 N16 O28 -","4","0.5","","Begines, Emilio; Carrasco, Carlos J.; Montilla, Francisco; Álvarez, Eleuterio; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Galindo, Agustín","Oxidoperoxidomolybdenum(vi) complexes with acylpyrazolonate ligands: synthesis, structure and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","197","208","10.1039/c7dt03939e","","","0.71073","MoKα","","0.0239","0.0231","","","0.051","0.0512","","","","","","1.168","","","","has coordinates,has disorder","235677","2020-10-21","18:00:00",""
"7702164","9.5954","0.0008","20.5989","0.0014","17.1471","0.0014","90","","90","","90","","3389.2","0.5","193","2","193","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C34 H42 Mo N4 O6 -","- C34 H42 Mo N4 O6 -","- C136 H168 Mo4 N16 O24 -","4","0.5","","Begines, Emilio; Carrasco, Carlos J.; Montilla, Francisco; Álvarez, Eleuterio; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Galindo, Agustín","Oxidoperoxidomolybdenum(vi) complexes with acylpyrazolonate ligands: synthesis, structure and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","197","208","10.1039/c7dt03939e","","","0.71073","MoKα","","0.05","0.0448","","","0.1012","0.105","","","","","","1.084","","","","has coordinates","235677","2020-10-21","18:00:00",""
"7702175","7.9926","0.0016","24.108","0.005","7.956","0.0016","90","","90","","90","","1533","0.5","293","2","293","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C4 H14 Br4 Cd Cl2 N2 -","- C4 H14 Br4 Cd Cl2 N2 -","- C16 H56 Br16 Cd4 Cl8 N8 -","4","0.5","","Chen, Hai-Peng; Shi, Ping-Ping; Wang, Zhong-Xia; Gao, Ji-Xing; Zhang, Wan-Ying; Chen, Cheng; Tang, Yuan-Yuan; Fu, Da-Wei","Tunable dielectric transitions in layered organic-inorganic hybrid perovskite-type compounds: [NH<sub>3</sub>(CH<sub>2</sub>)<sub>2</sub>Cl]<sub>2</sub>[CdCl<sub>4-4x</sub>Br<sub>4x</sub>] (x = 0, 1/4, 1).","Dalton transactions (Cambridge, England : 2003)","2018","47","20","7005","7012","10.1039/c8dt00353j","","","0.71073","MoKα","","0.1261","0.0755","","","0.1846","0.2076","","","","","","1.005","","","","has coordinates,has disorder","236825","2020-10-21","18:00:00",""
"7702176","7.6707","0.001","24.6215","0.0019","7.5742","0.001","90","","90","","90","","1430.5","0.3","293","2","293","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C4 H14 Br Cd Cl5 N2 -","- C4 H14 Br Cd Cl5 N2 -","- C16 H56 Br4 Cd4 Cl20 N8 -","4","0.5","","Chen, Hai-Peng; Shi, Ping-Ping; Wang, Zhong-Xia; Gao, Ji-Xing; Zhang, Wan-Ying; Chen, Cheng; Tang, Yuan-Yuan; Fu, Da-Wei","Tunable dielectric transitions in layered organic-inorganic hybrid perovskite-type compounds: [NH<sub>3</sub>(CH<sub>2</sub>)<sub>2</sub>Cl]<sub>2</sub>[CdCl<sub>4-4x</sub>Br<sub>4x</sub>] (x = 0, 1/4, 1).","Dalton transactions (Cambridge, England : 2003)","2018","47","20","7005","7012","10.1039/c8dt00353j","","","0.71073","MoKα","","0.0813","0.0554","","","0.1266","0.1389","","","","","","1.042","","","","has coordinates,has disorder","236825","2020-10-21","18:00:00",""
"7702177","7.649","0.011","24.42","0.04","7.579","0.01","90","","90","","90","","1416","4","173","2","173","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C4 H14 Br Cd Cl5 N2 -","- C4 H14 Br Cd Cl5 N2 -","- C16 H56 Br4 Cd4 Cl20 N8 -","4","0.5","","Chen, Hai-Peng; Shi, Ping-Ping; Wang, Zhong-Xia; Gao, Ji-Xing; Zhang, Wan-Ying; Chen, Cheng; Tang, Yuan-Yuan; Fu, Da-Wei","Tunable dielectric transitions in layered organic-inorganic hybrid perovskite-type compounds: [NH<sub>3</sub>(CH<sub>2</sub>)<sub>2</sub>Cl]<sub>2</sub>[CdCl<sub>4-4x</sub>Br<sub>4x</sub>] (x = 0, 1/4, 1).","Dalton transactions (Cambridge, England : 2003)","2018","47","20","7005","7012","10.1039/c8dt00353j","","","0.71073","MoKα","","0.0966","0.0826","","","0.2524","0.2938","","","","","","1.193","","","","has coordinates","236825","2020-10-21","18:00:00",""
"7702182","7.8832","0.0007","17.663","0.0019","12.5197","0.0012","90","","90","","90","","1743.3","0.3","223","2","223","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C20 H20 Mn N2 -","- C20 H20 Mn N2 -","- C80 H80 Mn4 N8 -","4","0.5","","Cannella, Anthony F.; Dey, Suman Kr; MacMillan, Samantha N.; Lacy, David C.","Structural diversity in pyridine and polypyridine adducts of ring slipped manganocene: correlating ligand steric bulk with quantified deviation from ideal hapticity.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5171","5180","10.1039/C8DT00537K","","","0.71073","MoKα","","0.0511","0.0378","","","0.0869","0.0925","","","","","","1.029","","","","has coordinates","236827","2020-10-21","18:00:00",""
"7702208","16.956","0.006","19.724","0.005","23.052","0.005","90","","90","","90","","7710","4","100","","100","","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C78 H86 Cl4 N12 O Zn2 -","- C78 H86 Cl4 N12 O Zn2 -","- C312 H344 Cl16 N48 O4 Zn8 -","4","0.5","","Dammann, Wiebke; Buban, Tabea; Schiller, Carl; Burger, Peter","Dinuclear tethered pyridine, diimine complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12105","12117","10.1039/c8dt02347f","","","0.71073","MoKα","","0.1434","0.0961","","","0.2159","0.2428","","","","","","1.072","","","","has coordinates,has disorder","236848","2020-10-21","18:00:00",""
"7702228","20.1261","0.0007","21.5909","0.0008","16.4408","0.0007","90","","90","","90","","7144.2","0.5","100","2","100","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C67 H74 Cl2 O4 P4 Ru2 S8 -","- C67 H74 Cl2 O4 P4 Ru2 S8 -","- C268 H296 Cl8 O16 P16 Ru8 S32 -","4","0.5","","Zain Aldin, Mohammed; Maho, Anthony; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel","Synthesis, characterization, and catalytic evaluation of ruthenium-diphosphine complexes bearing xanthate ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13926","13938","10.1039/c8dt02838a","","x-ray","0.7107","MoKα","","0.0689","0.0449","","","0.092","0.1025","","","","","","1.012","","","","has coordinates,has disorder","236852","2020-10-21","18:00:00",""
"7702243","11.9187","0.001","21.3168","0.0017","15.1658","0.0012","90","","90","","90","","3853.2","0.5","296","2","296","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C27 H17 N S -","- C27 H17 N S -","- C216 H136 N8 S8 -","8","1","","Wang, Yue; Xiao, Yu-Ping; Zhou, Yue-Yue; Hu, Cheng-Gui; Tong, Bi-Hai; Ye, Shang-Hui; Mei, Qun-Bo","Novel phosphorescent triptycene-based Ir(iii) complexes for organic light-emitting diodes.","Dalton transactions (Cambridge, England : 2003)","2019","48","43","16289","16297","10.1039/c9dt03182k","","","0.71073","MoKα","","0.046","0.0363","","","0.0823","0.0896","","","","","","1.023","","","","has coordinates","237898","2020-10-21","18:00:00",""
"7702511","16.139","0.009","14.005","0.006","12.626","0.004","90","","90","","90","","2854","2","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C12 H17 Ag N5 O2.5 -","- C12 H17 Ag N5 O2.5 -","- C96 H136 Ag8 N40 O20 -","8","1","","Zheng, Shao-Liang; Tong, Ming-Liang; Yu, Xiao-Lan; Chen, Xiao-Ming","Syntheses and structures of six chain-, ladder- and grid-like co-ordination polymers constructed from μ-hexamethylenetetramine and silver salts","Journal of the Chemical Society, Dalton Transactions","2001","","5","586","","10.1039/b009068i","","","0.71073","MoKα","","0.0401","0.0327","","","0.0834","0.0876","","","","","","1.049","","","","has coordinates","243886","2020-10-21","18:00:00",""
"7702595","16.677","0.003","20.114","0.004","18.724","0.004","90","","90","","90","","6281","2","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C52 H78 N16 O22 Y2 -","- C52 H60 N16 O22 Y2 -","- C208 H240 N64 O88 Y8 -","4","0.5","","Bligh, S. W. Annie; Choi, Nick; Evagorou, Evagoras G.; McPartlin, Mary; White, Kenneth N.","Dimeric yttrium(iii) and neodymium(iii) macrocyclic complexes: potential catalysts for hydrolysis of double-stranded DNA","Journal of the Chemical Society, Dalton Transactions","2001","","21","3169","","10.1039/b102533n","","","0.71069","MoKα","","0.0794","0.0693","","","0.1658","0.1754","","","","","","1.093","","","","has coordinates,has disorder","243916","2020-10-21","18:00:00",""
"7702930","12.6731","0.001","18.95","0.0013","10.049","0.0008","90","","90","","90","","2413.3","0.3","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C26 H22 Cu N8 O4 -","- C26 H22 Cu N8 O4 -","- C104 H88 Cu4 N32 O16 -","4","0.5","","Yang, Ping; Zhang, Dan-Dan; Wang, Zi-Zhou; Liu, Hui-Zhong; Shi, Qingshan; Xie, Xiao-Bao","Copper(II) complexes with NNO ligands: synthesis, crystal structures, DNA cleavage, and anticancer activities","Dalton Transactions","2019","","","","","10.1039/C9DT03746B","","","0.71073","MoKα","","0.0554","0.0381","","","0.0626","0.0683","","","","","","0.994","","","","has coordinates","244823","2020-10-21","18:00:00",""
"7703534","16.0592","0.0002","26.216","0.0003","27.9017","0.0003","90","","90","","90","","11746.8","0.2","150","0.1","150","0.1","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C46 H50 B2 N14 O4 W2 -","- C46 H50 B2 N14 O4 W2 -","- C368 H400 B16 N112 O32 W16 -","8","1","","Frogley, Benjamin J.; Hill, Anthony F.","Metal coordination to bipyridyl carbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3272","3283","10.1039/c9dt04744a","","","1.54184","CuKα","","0.0329","0.0317","","","0.0928","0.0944","","","","","","1.098","","","","has coordinates","250283","2020-10-21","18:00:00",""
"7704131","10.1605","0.0012","7.5416","0.0008","9.999","0.0012","90","","90","","90","","766.19","0.15","110","2","110","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- Al2 H6 K2 O7 -","- Al2 H6 K2 O7 -","- Al8 H24 K8 O28 -","4","0.5","","Dembowski, Mateusz; Prange, Micah P.; Pouvreau, Maxime; Graham, Trent R.; Bowden, Mark E.; N'Diaye, Alpha; Schenter, Gregory K.; Clark, Sue B.; Clark, Aurora E.; Rosso, Kevin M.; Pearce, Carolyn I.","Inference of principal species in caustic aluminate solutions through solid-state spectroscopic characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5869","5880","10.1039/d0dt00229a","","","0.56086","AgKα","","0.0503","0.0367","","","0.0642","0.0677","","","","","","1.122","","","","has coordinates","252802","2020-10-21","18:00:00",""
"7704132","10.3511","0.0008","7.6823","0.0007","10.2481","0.0008","90","","90","","90","","814.93","0.12","110","2","110","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- Al2 H6 O7 Rb2 -","- Al2 H6 O7 Rb2 -","- Al8 H24 O28 Rb8 -","4","0.5","","Dembowski, Mateusz; Prange, Micah P.; Pouvreau, Maxime; Graham, Trent R.; Bowden, Mark E.; N'Diaye, Alpha; Schenter, Gregory K.; Clark, Sue B.; Clark, Aurora E.; Rosso, Kevin M.; Pearce, Carolyn I.","Inference of principal species in caustic aluminate solutions through solid-state spectroscopic characterization.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5869","5880","10.1039/d0dt00229a","","","0.56086","AgKα","","0.0791","0.0426","","","0.0549","0.0619","","","","","","1.07","","","","has coordinates","252802","2020-10-21","18:00:00",""
"7707082","5.965","0.0002","25.2125","0.001","5.8168","0.0002","90","","90","","90","","874.8","0.05","100","2","100","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- La P3 Si -","- La P3 Si -","- La8 P24 Si8 -","8","1","","Akopov, Georgiy; Mark, Justin; Viswanathan, Gayatri; Lee, Shannon J.; McBride, Brennan C.; Won, Juyeon; Perras, Frédéric A; Paterson, Alexander L.; Yuan, Bing; Sen, Sabyasachi; Adeyemi, Adedoyin N.; Zhang, Feng; Wang, Cai-Zhuang; Ho, Kai-Ming; Miller, Gordon J.; Kovnir, Kirill","Third time's the charm: intricate non-centrosymmetric polymorphism in <i>Ln</i>SiP<sub>3</sub> (<i>Ln</i> = La and Ce) induced by distortions of phosphorus square layers.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6463","6476","10.1039/d1dt00845e","","","0.71073","MoKα","","0.0181","0.0171","","","0.0491","0.0493","","","","","","1.185","","","","has coordinates","266021","2021-06-05","18:35:53",""
"7707085","5.8961","0.0003","25.0987","0.0011","5.7747","0.0002","90","","90","","90","","854.57","0.06","200","2","200","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- Ce P3 Si -","- Ce P2.995 Si -","- Ce8 P23.96 Si8 -","8","1","","Akopov, Georgiy; Mark, Justin; Viswanathan, Gayatri; Lee, Shannon J.; McBride, Brennan C.; Won, Juyeon; Perras, Frédéric A; Paterson, Alexander L.; Yuan, Bing; Sen, Sabyasachi; Adeyemi, Adedoyin N.; Zhang, Feng; Wang, Cai-Zhuang; Ho, Kai-Ming; Miller, Gordon J.; Kovnir, Kirill","Third time's the charm: intricate non-centrosymmetric polymorphism in <i>Ln</i>SiP<sub>3</sub> (<i>Ln</i> = La and Ce) induced by distortions of phosphorus square layers.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6463","6476","10.1039/d1dt00845e","","","0.71073","","","0.0266","0.0238","","","0.0623","0.0637","","","","","","1.15","","","","has coordinates","266021","2021-06-05","18:35:53",""
"7707327","36.692","0.0007","21.4267","0.0005","13.825","0.0003","90","","90","","90","","10869.1","0.4","123","0.1","123","0.1","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C56 H51 Au3 N3 P3 -","- C56 H51 Au3 N3 P3 -","- C448 H408 Au24 N24 P24 -","8","1","","Ferrer, Montserrat; Gutiérrez, Albert; Martínez, Manuel; Da Silva, Cristiana; Netto, Adelino V. G.; Rodríguez, Laura; Romo-Islas, Guillermo; Pan, Fangfang; Rissanen, Kari","Base-assisted synthesis of 4-pyridinate gold(I) metallaligands: a study of their use in self-assembly reactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8154","8166","10.1039/d1dt00402f","","","1.54184","CuKα","","0.0693","0.066","","","0.1754","0.1768","","","","","","1.206","","","","has coordinates","267203","2021-07-05","17:45:59",""
"7707539","26.0998","0.0008","17.2345","0.0004","7.9957","0.0002","90","","90","","90","","3596.6","0.16","100","","100","","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C40 H36 N2 O4 P2 Zn -","- C40 H36 N2 O4 P2 Zn -","- C160 H144 N8 O16 P8 Zn4 -","4","0.5","","Yadav, Ravi; Dahlen, Milena; Singh, Akhil K.; Sun, Xiaofei; Gamer, Michael T.; Roesky, Peter W.","Nonanuclear zinc-gold [Zn<sub>3</sub>Au<sub>6</sub>] heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8558","8566","10.1039/d1dt01396c","","x-ray","0.71073","MoKα","","0.0382","0.0351","","","0.0929","0.0951","","","","","","1.017","","","","has coordinates","267137","2021-07-05","17:26:21",""
"7708252","11.8081","0.0002","10.1306","0.0002","10.0735","0.0002","90","","90","","90","","1205.02","0.04","150","2","150","0.1","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C8 H20 N2 O2 Sn -","- C8 H20 N2 O2 Sn -","- C32 H80 N8 O8 Sn4 -","4","0.5","","Johnson, Andrew Lee; Paish, James David; Snook, Michael","Evaluation of Sn(II) Aminoalkoxide Precursors for Atomic Layer Deposition of SnO Thin Films. Invitation: Dalton Transactions web collection themed around the topic of tin chemistry","Dalton Transactions","2021","","","","","10.1039/D1DT02480A","","x-ray","0.71073","MoKα","","0.0287","0.0255","","","0.0509","0.0521","","","","","","1.211","","","","has coordinates","269053","2021-09-08","22:55:51",""
"7709499","18.5263","0.0006","15.6201","0.0006","7.3666","0.0002","90","","90","","90","","2131.77","0.12","100","0.1","100","0.1","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C21 H26 Br2 N2 Se -","- C21 H26 Br2 N2 Se -","- C84 H104 Br8 N8 Se4 -","4","0.5","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0471","0.0392","","","0.0958","0.1008","","","","","","1.034","","","","has coordinates","272982","2022-02-15","23:59:44",""
"7710410","12.8565","0.0001","13.9166","0.0002","13.6699","0.0002","90","","90","","90","","2445.8","0.05","295","0.1","295","0.1","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C8 H32 Cd2 N2 O12 P6 -","- C8 H32 Cd2 N2 O12 P6 -","- C32 H128 Cd8 N8 O48 P24 -","4","0.5","","Mączka, Mirosław; Gągor, Anna; Stefańska, Dagmara; Zaręba, Jan K.; Pikul, Adam","Structural, magnetic and photoluminescence properties of new hybrid hypophosphites: discovery of the first noncentrosymmetric and two cobalt-based members","Dalton Transactions","2022","","","","","10.1039/D2DT01212J","","","0.71073","MoKα","","0.0165","0.0158","","","0.0414","0.0418","","","","","","1.14","","","","has coordinates","275844","2022-06-06","22:57:24",""
"7710543","19.5931","0.001","19.2681","0.0009","13.408","0.0007","90","","90","","90","","5061.8","0.4","150","","150","","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C24 H27 Cl3 Ga O P -","- C24 H27 Cl3 Ga O P -","- C192 H216 Cl24 Ga8 O8 P8 -","8","1","","Dankert, Fabian; Fischer, Malte; Hering-Junghans, Christian","Modulating the reactivity of phosphanylidenephosphoranes towards water with Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT01575G","","x-ray","0.71073","MoKα","","0.0293","0.025","","","0.059","0.0597","","","","","","0.997","","","","has coordinates","276205","2022-06-23","23:04:03",""
"7710807","19.4034","0.0011","18.0204","0.001","10.3393","0.0006","90","","90","","90","","3615.2","0.4","100","","100","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C28 H60 I2 N10 Sm -","- C28 H60 I2 N10 Sm -","- C112 H240 I8 N40 Sm4 -","4","0.5","","Bokouende, Sergely Steephen; Jenks, Tyler C.; Ward, Cassandra L.; Allen, Matthew J.","Solid-state and solution-phase characterization of Sm<sup>II</sup>-aza[2.2.2]cryptate and its methylated analogue.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","10852","10855","10.1039/d2dt01823c","","","0.71073","MoKα","","0.0294","0.0229","","","0.0444","0.0463","","","","","","1.053","","","","has coordinates","276951","2022-07-26","22:57:25",""
"7710942","25.9286","0.0008","18.9042","0.0004","18.5116","0.0004","90","","90","","90","","9073.6","0.4","150","2","150","","","","","","","","","10","A e a 2","A 2 -2ab","41","","","","- C22 H48 B2 Cl2 F6 N6 O14 P4 Pt2 S2 -","- C22 H48 B2 Cl2 F6 N6 O14 P4 Pt2 S2 -","- C176 H384 B16 Cl16 F48 N48 O112 P32 Pt16 S16 -","8","1","","Culpepper, Johnathan D.; Lee, Kyounghoon; Portis, William; Swenson, Dale C.; Daly, Scott R.","Fluorination and hydrolytic stability of water-soluble platinum complexes with a borane-bridged diphosphoramidite ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01482C","","","0.71073","MoKα","","0.0348","0.0326","","","0.0678","0.0688","","","","","","1.13","","","","has coordinates,has disorder","277180","2022-08-09","22:49:05",""
"7712105","17.123","0.0005","14.4934","0.0005","7.3773","0.0003","90","","90","","90","","1830.83","0.11","109.95","0.1","109.95","0.1","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","0.5","","McEllin, Alice Jane; Goult, Christopher A.; Whitwood, Adrian C.; Lynam, Jason M.; Bruce, Duncan W.","On the mercuration, palladation, transmetalation and direct auration of a C^N^C pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","872","876","10.1039/d2dt04114f","","x-ray","1.54184","CuKα","","0.0268","0.0252","","","0.0654","0.0669","","","","","","1.028","","","","has coordinates","283263","2023-05-05","01:52:48",""
"7713541","16.1758","0.0009","14.0586","0.0006","9.7277","0.0005","90","","90","","90","","2212.17","0.19","296.15","","296.15","","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- C24 H34 N2 -","- C24 H34 N2 -","- C96 H136 N8 -","4","0.5","","Roesky, Herbert W.; Huo, Shuai-Cong; Li, Yao; Ji, Peng-Fei; Zhang, De-Xiang; Yang, Ying","Interaction of Germanium Analogue of Organic Isonitrile with Cu(I) imide in Side-on Mode","Dalton Transactions","2023","","","","","10.1039/D3DT02094K","","","0.71073","MoKα","","0.0549","0.0438","","","0.1222","0.1312","","","","","","1.034","","","","has coordinates","285301","2023-07-20","22:53:40",""
"7714022","8.974","0.0004","29.2515","0.0017","21.3053","0.0009","90","","90","","90","","5592.7","0.5","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C62 H82 B2 Fe N6 -","- C62 H82 B2 Fe N6 -","- C248 H328 B8 Fe4 N24 -","4","0.5","","Guthardt, Robin; Jacob, Hannes Lukas; Bruhn, Clemens; Siemeling, Ulrich","A complete series of N-heterocyclic tetrylenes (Si – Pb) with a 1,1’-ferrocenediyl backbone enabled by 1,3,2-diazaborolyl N-substituents","Dalton Transactions","2023","","","","","10.1039/D3DT02684A","","x-ray","1.54186","CuKα","","0.1146","0.0738","","","0.1533","0.1736","","","","","","1.055","","","","has coordinates","286546","2023-09-26","23:05:26",""
"7714210","25.8579","0.0007","11.1659","0.0003","13.2095","0.0003","90","","90","","90","","3813.94","0.17","120","0.1","120","0.1","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C8 H22 Cl4 Co N4 O3 Zn2 -","- C8 H22 Cl4 Co N4 O3 Zn2 -","- C64 H176 Cl32 Co8 N32 O24 Zn16 -","8","1","","Kariyawasam, Rasika Janadari; Zibaseresht, Ramin; Polson, Matthew Ian James; Houlihan, Joanna C.C.; Wikaira, Jan L.; Hartshorn, Richard M.","Synthesis of Nitrogen Mustards on Cobalt(III)","Dalton Transactions","2023","","","","","10.1039/D3DT01634J","","","1.54184","CuKα","","0.0344","0.0341","","","0.0883","0.0886","","","","","","1.048","","","","has coordinates","286946","2023-10-12","23:09:53",""
"7714230","16.38","0.02","29.87","0.04","6.843","0.009","90","","90","","90","","3348","7","100","2","100","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C168 H128 N16 O24 -","8","1","","Kamboj, Nisha; Dey, Ayan; Lama, Prem; Majumder, Moumita; Sengupta, Srijan; Metre, Ramesh K.","Closed-shell Phenalenyl-based Dinuclear Iron(III) Complex as a Robust Cathode for One-Compartment H2O2 Fuel Cell","Dalton Transactions","2023","","","","","10.1039/D3DT02975A","","","0.71073","MoKα","","0.1336","0.0973","","","0.1617","0.1759","","","","","","1.133","","","","has coordinates","286967","2023-10-13","22:57:11",""
"7714517","16.7596","0.0008","21.3357","0.001","8.6837","0.0004","90","","90","","90","","3105.1","0.3","133","2","133","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C32 H44 Si2 Sn2 -","- C32 H44 Si2 Sn2 -","- C128 H176 Si8 Sn8 -","4","0.5","","Bischoff, Inga-Alexandra; Morgenstern, Bernd; Zimmer, Michael; Koldemir, Aylin; Pöttgen, Rainer; Schäfer, André","Bis(tetrelocenes) - fusing tetrelocenes into close proximity.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02664g","","","0.71073","MoKα","","0.0114","0.0112","","","0.0303","0.0304","","","","","","1.106","","","","has coordinates","287697","2023-11-20","23:57:14",""
"7715812","13.5008","0.0018","24.067","0.003","8.0492","0.0011","90","","90","","90","","2615.4","0.6","123","2","123.15","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C28 H26 Fe N6 Se2 -","- C28 H26 Fe N6 Se2 -","- C112 H104 Fe4 N24 Se8 -","4","0.5","","Dou, Diyu; Qi, Dafan; Zhao, Tianyuan; Zheng, Peng Xuan; Bao, Xin","Design and Characterization of Fe(II) Complexes with Tetradentate Ligands Exhibiting Spin-Crossover Near Room Temperature","Dalton Transactions","2024","","","","","10.1039/D4DT00460D","","","0.71073","MoKα","","0.0364","0.0272","","","0.0477","0.0496","","","","","","1.044","","","","has coordinates","291339","2024-04-23","22:51:44",""
"7715813","13.6833","0.0012","24.3553","0.0019","8.2423","0.0007","90","","90","","90","","2746.8","0.4","298","","298","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C28 H26 Fe N6 Se2 -","- C28 H26 Fe N6 Se2 -","- C112 H104 Fe4 N24 Se8 -","4","0.5","","Dou, Diyu; Qi, Dafan; Zhao, Tianyuan; Zheng, Peng Xuan; Bao, Xin","Design and Characterization of Fe(II) Complexes with Tetradentate Ligands Exhibiting Spin-Crossover Near Room Temperature","Dalton Transactions","2024","","","","","10.1039/D4DT00460D","","","0.71073","MoKα","","0.0919","0.0409","","","0.0596","0.0684","","","","","","1.01","","","","has coordinates","291339","2024-04-23","22:51:45",""
"8104589","19.9676","0.0019","8.4674","0.0007","12.4082","0.001","90","","90","","90","","2097.9","0.3","173","2","173","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","<i>N</i>'-(butan-2-ylidene)pyridine-4-carbohydrazide hydrate","","- C20 H28 N6 O3 -","- C20 H28 N6 O3 -","- C80 H112 N24 O12 -","4","0.5","","Setshedi, Itumeleng B.; Lemmerer, Andreas; Smith, Mark G.","The crystal structure of (E)-N′-(butan-2-ylidene)isonicotinohydrazide 0.5 hydrate C10H13N3O·0.5H2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1295","1296","10.1515/ncrs-2021-0311","","x-ray","0.71073","MoKα","","0.0307","0.0299","","","0.0839","0.0849","","","","","","1.073","","","","has coordinates","273093","2022-02-22","09:52:39",""
"8105128","12.04","0.009","22.596","0.018","10.344","0.01","90","","90","","90","","2814","4","296","2","296","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C30 H28 N6 O4 Zn -","- C30 H28 N6 O4 Zn -","- C120 H112 N24 O16 Zn4 -","4","0.5","","Deng, Xiao-Wei; Wu, Wei-Na","Crystal structure of bis(3-methoxy-N-(1-(pyridin-2-yl)ethylidene)benzohydrazonato κ3 O,N,N′)zinc(II), C30H28N6O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","421","422","10.1515/ncrs-2019-0726","","","0.71073","MoKα","","0.0973","0.0463","","","0.1144","0.1435","","","","","","1.053","","","","has coordinates","274871","2022-05-04","07:51:19",""
"8105226","11.813","0.01","21.433","0.017","10.03","0.008","90","","90","","90","","2539","4","296","2","296","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C28 H26 N8 Ni O2 -","- C28 H26 N8 Ni O2 -","- C112 H104 N32 Ni4 O8 -","4","0.5","","Yang, Xue-Mei; Zhu, Tao; Lin, Long","Crystal structure of bis(3-methyl-N-(1-(pyrazin-2-yl)ethylidene)benzohydrazonato-κ3 O,N,N′)nickel(II), C28H26N8O2Ni","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","585","586","10.1515/ncrs-2019-0833","","","0.71073","MoKα","","0.0904","0.0457","","","0.0838","0.0992","","","","","","1.003","","","","has coordinates","275339","2022-05-11","09:33:51",""
"8105280","12.043","0.005","21.723","0.009","9.961","0.004","90","","90","","90","","2605.9","1.9","296","2","296","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C24 H22 Co N8 O4 S2 -","- C24 H22 Co N8 O4 S2 -","- C96 H88 Co4 N32 O16 S8 -","4","0.5","","Wang, Wan-Wan; Deng, Xiao-Wei; Wu, Wei-Na","Crystal structure of bis [1-(phenylsulfonyl)-2-(1-(pyrazin-2-yl)ethylidene)hydrazin-1-ido-κ3 N,N′,O]cobalt(II), C24H22N8O4S2Co","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","763","764","10.1515/ncrs-2019-0611","","","0.71073","MoKα","","0.0505","0.0366","","","0.0704","0.0764","","","","","","1.024","","","","has coordinates","275483","2022-05-17","08:27:40",""
"8105987","21.0595","0.0011","14.8565","0.0008","7.6437","0.0004","90","","90","","90","","2391.5","0.2","173","2","173","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C9 H8 N4 O7 -","- C9 H8 N4 O7 -","- C72 H64 N32 O56 -","8","1","","Lizhen, Chen; Yunzhang, Liu; Jianlong, Wang; Jun, Chen; Hongxia, Pan","The crystal structure of propan-2-one O-(2,4,6-trinitrophenyl) oxime, C9H8N4O7","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1223","1224","10.1515/ncrs-2019-0357","","","0.71073","MoKα","","0.0613","0.0397","","","0.075","0.0825","","","","","","1.027","","","","has coordinates","278812","2022-10-26","09:35:28",""
"8106176","22.149","0.002","13.2899","0.0012","10.6679","0.001","90","","90","","90","","3140.2","0.5","296","2","296","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C21 H15 N O2 -","- C21 H15 N O2 -","- C168 H120 N8 O16 -","8","1","","Huang, Xiang; Shi, Da-Bin","Crystal structure of methyl 10-(pyridin-4-yl)-anthracene-9-carboxylate, C21H15NO2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","441","443","10.1515/ncrs-2017-0334","","","0.71073","MoKα","","0.0614","0.0418","","","0.0862","0.0953","","","","","","1.022","","","","has coordinates","279424","2022-11-21","08:48:32",""
"8106185","11.845","0.006","21.937","0.011","9.907","0.005","90","","90","","90","","2574","2","296","2","296","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C24 H22 N8 Ni O4 S2 -","- C24 H22 N8 Ni O4 S2 -","- C96 H88 N32 Ni4 O16 S8 -","4","0.5","","Wu, Hao; Wu, Wei-Na","Crystal structure of bis(1-(phenylsulfonyl)-2-(1-(pyrazin-2-yl)ethylidene)hydrazin-1-ido-κ3 N,N′,O)nickel(II), C24H22N8O4S2Ni","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","465","466","10.1515/ncrs-2017-0356","","","0.71073","MoKα","","0.0373","0.0285","","","0.0625","0.0657","","","","","","1.032","","","","has coordinates","279433","2022-11-21","09:58:40",""
"8106186","11.9395","0.0018","21.813","0.003","10.1184","0.0015","90","","90","","90","","2635.2","0.7","296","2","296","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C24 H22 Cu N8 O4 S2 -","- C24 H22 Cu N8 O4 S2 -","- C96 H88 Cu4 N32 O16 S8 -","4","0.5","","Wang, Wan-Wan; Wu, Wei-Na; Wang, Yuan","Crystal Structure of bis(1-(phenylsulfonyl)-2-(1-(pyrazin-2-yl)ethylidene)hydrazin-1-ido-κ3 N,N′,O)copper(II), C24H22N8O4S2Cu","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","467","468","10.1515/ncrs-2017-0357","","","0.71073","MoKα","","0.0599","0.0395","","","0.0809","0.0912","","","","","","1.012","","","","has coordinates","279434","2022-11-21","10:02:36",""
"8106254","12.2281","0.0016","19.176","0.003","9.8689","0.0013","90","","90","","90","","2314.1","0.6","296","2","296","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C24 H20 Cu N10 O2 -","- C24 H20 Cu N10 O2 -","- C96 H80 Cu4 N40 O8 -","4","0.5","","Li, Qingqing; Jiao, Kaichuang; Xu, Zhouqing","Crystal structure of bis(N-(1-(pyrazin-2-yl)ethylidene)nicotinohydrazonato-κ3 N,N′,O)copper(II) C24H20N10O2Cu","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","669","670","10.1515/ncrs-2017-0432","","","0.71073","MoKα","","0.074","0.0381","","","0.0645","0.0752","","","","","","0.984","","","","has coordinates","279560","2022-11-25","08:50:22",""
"8106398","7.4156","0.0005","31.415","0.002","5.9451","0.0004","90","","90","","90","","1384.98","0.16","297","2","297.05","","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- C16 H14 O5 -","- C16 H14 O5 -","- C64 H56 O20 -","4","0.5","","Maxweel, Lindley; Cárdenas, Alejandro; Brito, Iván","Crystal structure of dimethyl 4,4′-oxydibenzoate, C16H14O5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1059","1060","10.1515/ncrs-2018-0170","","","0.71073","MoKα","","0.0364","0.0316","","","0.0885","0.0924","","","","","","1.063","","","","has coordinates","279901","2022-12-15","08:49:33",""
"8106596","18.4956","0.0011","23.9806","0.0016","8.1572","0.0005","90","","90","","90","","3618","0.4","293","2","293","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C15 H23 N7 O4 -","- C15 H23 N7 O4 -","- C120 H184 N56 O32 -","8","1","","Amr, Abd El-Galil E.; Khalifa, Nagy M.; Al-Omar, Mohamed A.; Ghabbour, Hazem A.","Crystal structure of N 2,N 6-bis(1-hydrazinyl-2-methyl-1-oxopropan-2-yl) pyridine-2,6-dicarboxamide, C15H23N7O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","537","539","10.1515/ncrs-2016-0294","","","0.71073","MoKα","","0.1029","0.0521","","","0.0983","0.1144","","","","","","1.027","","","","has coordinates","280603","2023-01-25","10:24:01",""
"9010972","6.07","","5.94","","6.14","","90","","90","","90","","221.383","","","","143.15","","","","","","","","","2","A e a 2","A 2 -2ab","41","","","","- O2 S -","- O2 S -","- O8 S4 -","4","0.5","","Post, B.; Schwartz, R. S.; Fankuchen, I.","The crystal structure of sulfur dioxide Sample: T = -130 C","Acta Crystallographica","1952","5","","372","374","10.1107/S0365110X5200109X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011411","11.08","","11.14","","8.97","","90","","90","","90","","1107.18","","","","","","","","","","","","","3","A e a 2","A 2 -2ab","41","","","Santite","- B5 K O12 -","- B5 K O12 -","- B20 K4 O48 -","4","0.5","","Zachariasen, W. H.","The crystal structure of potassium acid dihydronium pentaborate KH2(H3O)2B5O10, (potassium pentaborate tetrahydrate) Locality: synthetic","Zeitschrift fur Kristallographie","1937","98","","266","274","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011424","11.287","","23.389","","13.399","","90","","90","","90","","3537.22","","","","","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","Vrbaite","- As8 Hg3 S20 Sb2 Tl4 -","- As8 Hg3 S20 Sb2 Tl4 -","- As32 Hg12 S80 Sb8 Tl16 -","4","0.5","","Ohmasa, M.; Nowacki, W.","The crystal structure of vrbaite, Hg3Tl4As8Sb2S20 Locality: Allchar, Macedonia","Zeitschrift fur Kristallographie","1971","134","","360","380","10.1524/zkri.1971.134.5-6.360","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""