# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-21T20:35:09+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'C m c e' 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
"1000280","13.215","0.002","5.943","0.001","5.938","0.001","90","","90","","90","","466.4","","","","","","","","","","","","","3","C m c e","-C 2ac 2","64","","Lanthanum oxide sulfide (2/2/2)","","- La2 O2 S2 -","- La2 O2 S2 -","- La8 O8 S8 -","4","0.25","","Ostorero, J; Leblanc, M","Room temperature structure of La~2~O~2~S~2~","Acta Crystallographica C (39,1983-)","1990","46","","1376","1378","","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","287588","2023-11-14","18:05:45",""
"1008873","20.435","0.009","6.82","0.003","15.351","0.005","90","","90","","90","","2139.4","","","","","","","","","","","","","4","C m c e","-C 2ac 2","64","","Tetrasodium hexapotassium di-$-mue-arsenido-bis(diarsenidostannate)","","- As6 K6 Na4 Sn2 -","- As6 K6 Na4 Sn2 -","- As24 K24 Na16 Sn8 -","4","0.25","","Eisenmann, B; Klein, J","Dimere Zintl-Anionen (Sn2 As6)10- und (Sn2 Sb6)10- in Alkaliverbindungen","Zeitschrift fuer Kristallographie (149,1979-)","1991","196","","213","229","","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","282761","2023-04-20","06:45:55",""
"1529677","15.11","","7.155","","11.05","","90","","90","","90","","1194.64","","","","","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- F6 Na4 O8 S2 Sb2 -","- F6 Na4 O8 S2 Sb2 -","- F24 Na16 O32 S8 Sb8 -","4","0.25","","Bonnet, B.; Fourcade, R.; Ducourant, M.B.; Mascherpa, G.","Sur un complexe bidendate ponte entre le sulfate de sodium et le trifluorure d'antimoine","Revue de Chimie Minerale","1980","17","","88","95","","","","","","","","","","","","","","","","","","","","","","has coordinates","282761","2023-04-20","06:45:56",""
"1539914","10.948","","12.036","","16.381","","90","","90","","90","","2158.53","","","","","","","","","","","","","3","C m c e","-C 2ac 2","64","","Na6 (O2 (Cu O2)2)","","- Cu2 Na6 O6 -","- Cu2 Na6 O6 -","- Cu24 Na72 O72 -","12","0.75","","Bukovec, N.; Leban, I.; Hoppe, R.","Zur Kenntnis von Na6 Cu2 O6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","563","","79","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","282761","2023-04-20","06:45:56",""
"1540502","19.854","0.003","6.8636","0.0009","13.2849","0.0017","90","","90","","90","","1810.3","0.4","200","2","200","2","","","","","","","","3","C m c e","-C 2ac 2","64","Barium aluminium arsenide (3/1/3)","Barium aluminium arsenide (3/1/3)","","- Al As3 Ba3 -","- Al As3 Ba3 -","- Al8 As24 Ba24 -","8","0.5","","Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen","Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)","Crystals","2015","5","4","433","","10.3390/cryst5040433","","","0.71073","MoKα","","0.0207","0.0168","","","0.035","0.0358","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540504","19.3572","0.0014","6.7433","0.0005","12.9707","0.001","90","","90","","90","","1693.1","0.2","200","2","200","2","","","","","","","","3","C m c e","-C 2ac 2","64","Barium aluminum phosphide (3/1/3)","Barium aluminum phosphide (3/1/3)","","- Al Ba3 P3 -","- Al Ba3 P3 -","- Al8 Ba24 P24 -","8","0.5","","Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen","Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)","Crystals","2015","5","4","433","","10.3390/cryst5040433","","","0.71073","MoKα","","0.0293","0.0227","","","0.0441","0.0463","","","","","","1.092","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540505","18.787","0.003","6.3867","0.0012","12.403","0.002","90","","90","","90","","1488.2","0.4","200","2","200","2","","","","","","","","3","C m c e","-C 2ac 2","64","Strontium gallium phosphide (3/1/3)","Strontium gallium phosphide (3/1/3)","","- Ga P3 Sr3 -","- Ga P3 Sr3 -","- Ga8 P24 Sr24 -","8","0.5","","Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen","Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)","Crystals","2015","5","4","433","","10.3390/cryst5040433","","","0.71073","MoKα","","0.0886","0.0742","","","0.2392","0.2451","","","","","","1.789","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540506","19.149","0.002","6.5652","0.0008","12.6871","0.0015","90","","90","","90","","1595","0.3","200","2","200","2","","","","","","","","3","C m c e","-C 2ac 2","64","Strontium aluminium arsenide (3/1/3)","Strontium aluminium arsenide (3/1/3)","","- Al As3 Sr3 -","- Al As3 Sr3 -","- Al8 As24 Sr24 -","8","0.5","","Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen","Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)","Crystals","2015","5","4","433","","10.3390/cryst5040433","","","0.71073","MoKα","","0.032","0.0228","","","0.0378","0.0411","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540869","5.1138","","9.7316","","7.9075","","90","","90","","90","","393.52","","","","","","","","","","","","","2","C m c e","-C 2ac 2","64","","","","- La2 Ni3 -","- La2 Ni3 -","- La8 Ni12 -","4","0.25","","van Vucht, J.H.N.; Buschow, K.H.J.","The crystal structure of La2 Ni3","Journal of the Less-Common Metals","1976","46","","133","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541163","5.3466","","13.0864","","5.398","","90","","90","","90","","377.686","","","","","","","","","","","","","5","C m c e","-C 2ac 2","64","","La1.85 Sr.15 Cu.75 Zn.25 O3.92","","- Cu0.75 La1.85 O3.92 Sr0.15 Zn0.25 -","- Cu0.75 La1.85 O3.92 Sr0.15 Zn0.25 -","- Cu3 La7.4 O15.68 Sr0.6 Zn -","4","0.25","","Remschnig, K.; Rogl, P.; Gratz, E.; Fischer, P.; Mueller, H.","Neutron and low temperature x-ray powder diffraction and thermal expansion measurements on La1.85 Sr.15 Cu1-x Znx O4-y","Physica C (Amsterdam)","1989","158","","458","464","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541512","48.5117","","38.0033","","45.4473","","90","","90","","90","","83786.9","","","","","","","","","","","","","4","C m c e","-C 2ac 2","64","","Na6.93 (Mo141.118 O418 (H2 O)58 (O H)14) (H2 O)240","","- H610 Mo141.118 Na6.93 O730 -","- Mo141.144 Na6.92 O732 -","- Mo564.576 Na27.68 O2928 -","4","0.25","","Mueller, A.; Schmidtmann, M.; Beugholt, C.; Koop, M.; Das, S.K.; Boegge, H.","Facile and optimized synthesis and structures of crystalline molybdenum blue compounds including one with an interesting high degree of defects: Na26 (Mo142 O432 (H2 O)58 * ca. 300 (H2 O) and Na16 ((Mo3)176 (H2 O)63 (C H3 O H)17 H16) * ca. 6000 )H2 O) * 6(C H3 O H)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1960","1962","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541876","17.062","","9.862","","14.051","","90","","90","","90","","2364.3","","","","","","","","","","","","","3","C m c e","-C 2ac 2","64","","Ba4 (Ti13 O30)","","- Ba4 O30 Ti13 -","- Ba4 O30 Ti13 -","- Ba16 O120 Ti52 -","4","0.25","","Tillmanns, E.","Tetrabarium tridecatitanate, Ba4 Ti13 O30","Crystal Structure Communications","1982","11","","2087","2092","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1542127","10.4","","10.8","","12.75","","90","","90","","90","","1432.08","","","","","","","","","","","","","4","C m c e","-C 2ac 2","64","","(N H4) (P O3)","","- H4 N O3 P -","- H4 N O3 P -","- H64 N16 O48 P16 -","16","1","","Ketelaar, J.A.A.; MacGillavry, C.H.","Crystal structure of ammonium tetrametaphosphate","Nature (London)","1949","164","","960","961","","","","","","","","","","","","","","","","","","","","","","has coordinates","186580","2020-10-21","18:00:00",""
"1551371","17.983","0.004","18.413","0.004","22.333","0.005","90","","90","","90","","7395","3","100","2","100","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- Cs11 F12 K5 Mn2 Na2 O128 W34 -","- Cs11 F12 K5 Mn1.9992 Na2 O128 W34.0008 -","- Cs22 F24 K10 Mn3.9984 Na4 O255.999 W68.0016 -","2","0.125","","Roy E. Schreiber; Lothar Houben; Sharon G. Wolf; Gregory Leitus; Zhong-Ling Lang; Jorge J. Carbo; Josep M. Poblet; Ronny Neumann","Real-time molecular scale observation of crystal formation","Nature Chemistry","2017","9","","369","373","10.1038/nchem.2675","","","0.71073","MoKα","","0.0951","0.0787","","","0.1908","0.2001","","","","","","1.178","","","","has coordinates,has disorder","215889","2020-10-21","18:00:00",""
"1553587","6.9379","0.0019","19.798","0.006","17.773","0.004","90","","90","","90","","2441.2","1.1","296","2","296","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C12 H11 I N2 O2 -","- C12 H11 I N2 O2 -","- C96 H88 I8 N16 O16 -","8","0.5","","He, Xin; Xu, Yi-zhu; Kong, Ling-xuan; Wu, Huan-huan; Ji, De-zhong; Wang, Zhi-bin; Xu, Yun-gen; Zhu, Qi-hua","Copper(i) and N-fluorobenzenesulfonimide-mediated direct regioselective halogenation of 8-amidoquinolines on the C5 position","Organic Chemistry Frontiers","2017","4","6","1046","","10.1039/C6QO00644B","","","0.71073","MoKα","","0.044","0.0379","","","0.0866","0.0901","","","","","","1.13","","","","has coordinates","235172","2020-10-21","18:00:00",""
"1554620","15.867","0.002","20.073","0.002","18.513","0.002","90","","90","","90","","5896.4","1.1","296","2","296","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C24 H38 F6 Fe P Ru S3 -","- C24 H38 F6 Fe P Ru S3 -","- C192 H304 F48 Fe8 P8 Ru8 S24 -","8","0.5","","Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping","Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions","Catalysis Science & Technology","2019","9","22","6492","","10.1039/C9CY01667H","","","0.71073","MoKα","","0.0788","0.0667","","","0.2143","0.2248","","","","","","1.069","","","","has coordinates,has disorder","237875","2020-10-21","18:00:00",""
"1555255","7.243","0.0017","12.882","0.002","23.908","0.006","90","","90","","90","","2230.7","0.8","250","2","250","","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C12 H14 B2 F8 Fe N6 O2 -","- C12 H14 B2 F8 Fe N6 O2 -","- C48 H56 B8 F32 Fe4 N24 O8 -","4","0.25","","Resines-Urien, Esther; Burzurí, Enrique; Fernandez-Bartolome, Estefania; García García-Tuñón, Miguel Ángel; de la Presa, Patricia; Poloni, Roberta; Teat, Simon J.; Costa, Jose Sanchez","A switchable iron-based coordination polymer toward reversible acetonitrile electro-optical readout.","Chemical science","2019","10","27","6612","6616","10.1039/c9sc02522g","","","0.71073","MoKα","","0.1058","0.0897","","","0.252","0.2711","","","","","","1.056","","","","has coordinates","238428","2020-10-21","18:00:00",""
"1556459","26.77","0.002","18.9186","0.0016","22.445","0.002","90","","90","","90","","11367.3","1.6","90","2","90","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C63 H75 Gd I2 N4 P2 -","- C63 H75 Gd I2 N4 P2 -","- C504 H600 Gd8 I16 N32 P16 -","8","0.5","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","0.71073","MoKα","","0.0483","0.0314","","","0.0687","0.0758","","","","","","1.04","","","","has coordinates,has disorder","244949","2020-10-21","18:00:00",""
"1556546","10.1476","0.0005","20.7484","0.001","6.7022","0.0003","90","","90","","90","","1411.12","0.12","100","2","100","2","","","","","","","synthetical product","4","C m c e","-C 2ac 2","64","1,3-di-cyclopentyl-1,1,3,3-tetrahydroxysiloxane","1,3-di-cyclopentyl-1,1,3,3-tetrahydroxysiloxane","","- C10 H22 O5 Si2 -","- C10 H22 O5 Si2 -","- C40 H88 O20 Si8 -","4","0.25","","Kahr, J.; Belaj, F.; Pietschnig, R.","Preparation and Molecular Structure of a Cyclopentyl-Substituted Cage Hexasilsesquioxane T6 (T = cyclopentyl-SiO1.5) Starting from the Corresponding Silanetriol","Inorganics","2017","5","","66","","10.3390/inorganics5040066","","","0.71073","MoKα","","0.0372","0.0344","","","0.0867","0.0903","","","","","","1.159","","","","has coordinates,has disorder","245046","2020-10-21","18:00:00",""
"1556806","26.7965","0.0005","7.1599","0.0001","14.1519","0.0003","90","","90","","90","","2715.19","0.09","20","2","20","2","","","","","","","","2","C m c e","-C 2ac 2","64","Rubrene","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","0.25","","Hathwar, Venkatesha R.; Sist, Mattia; Jørgensen, Mads R V; Mamakhel, Aref H.; Wang, Xiaoping; Hoffmann, Christina M.; Sugimoto, Kunihisa; Overgaard, Jacob; Iversen, Bo Brummerstedt","Quantitative analysis of intermolecular interactions in orthorhombic rubrene.","IUCrJ","2015","2","Pt 5","563","574","10.1107/S2052252515012130","","","0.35312","Synchrotron,monochromatic","","0.049","0.02","","","","0.039","","","","","","1.043","","","","has coordinates","246059","2020-10-21","18:00:00",""
"1556807","26.8106","0.0003","7.1602","0.0001","14.2029","0.0001","90","","90","","90","","2726.52","0.05","100","2","100","2","","","","","","","","2","C m c e","-C 2ac 2","64","Rubrene","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","0.25","","Hathwar, Venkatesha R.; Sist, Mattia; Jørgensen, Mads R V; Mamakhel, Aref H.; Wang, Xiaoping; Hoffmann, Christina M.; Sugimoto, Kunihisa; Overgaard, Jacob; Iversen, Bo Brummerstedt","Quantitative analysis of intermolecular interactions in orthorhombic rubrene.","IUCrJ","2015","2","Pt 5","563","574","10.1107/S2052252515012130","","","0.7107","MoKα","","0.041","0.022","","","","0.055","","","","","","1.502","","","","has coordinates","246059","2020-10-21","18:00:00",""
"1556821","15.0905","0.001","11.4741","0.0008","9.9484","0.0006","90","","90","","90","","1722.6","0.2","90","2","90","2","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- C20 H30 Fe -","- C20 H30 Fe -","- C80 H120 Fe4 -","4","0.25","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0214","0.021","","","0.0652","0.0656","","","2.62","","","1.505","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556822","15.0905","0.001","11.4741","0.0008","9.9484","0.0006","90","","90","","90","","1722.6","0.2","90","2","90","2","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- C20 H30 Fe -","- C20 H30 Fe -","- C80 H120 Fe4 -","4","0.25","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0253","0.0226","","","0.0632","0.0657","","","2.62","","","1.187","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556823","15.119","0.004","11.492","0.003","9.967","0.003","90","","90","","90","","1731.7","0.8","293","2","293","2","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- C20 H30 Fe -","- C20 H30 Fe -","- C80 H120 Fe4 -","4","0.25","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0886","0.0886","","","0.2442","0.2442","","","2.62","","","1.88","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1557416","6.9263","0.0004","10.4356","0.0008","13.523","0.001","90","","90","","90","","977.44","0.12","","","298","","","","100","","","","","5","C m c e","-C 2ac 2","64","MnAlPO4(OH)2*H2O","","eosphorite","- Al H4 Mn O7 P -","- Al Fe0.056 H3.994 Mn0.944 O7 P -","- Al8 Fe0.448 H31.952 Mn7.552 O56 P8 -","8","0.5","","Gatta, G.D.; Nenert, G.; Vignola, P.","Coexisting hydroxyl gourd and H2O molecules in minerals: A single-crystal neutron diffraction study of eosphorite, MnAlPO4(OH)2*H2O","American Mineralogist","2013","98","","1297","1301","10.2138/am.2013.4438","","","","","","","","","","","","","","","","","","","","","has coordinates","248573","2020-10-21","18:00:00",""
"1558324","20.881","0.0011","14.7201","0.0009","8.7578","0.0005","90","","90","","90","","2691.9","0.3","300","2","300.13","","","","","","","","","5","C m c e","-C 2ac 2","64","sql-3-Co-NCS","","","- C26 H16 Co N14 S2 -","- C26 H16 Co N14 S2 -","- C104 H64 Co4 N56 S8 -","4","0.25","","Zaworotko, Michael; Kumar, Naveen; Chang, Ze; Yu, Mei-Hui; Kumar, Amrit; O’Nolan, Daniel; Bu, Xian-He; Patyk-Kaźmierczak, Ewa; Bezrukov, Andrey A.; Mukherjee, Soumya; Wang, Shi-Qiang","Crystal engineering of a rectangular sql coordination network to enable xylenes selectivity over ethylbenzene","Chemical Science","2020","","","","","10.1039/D0SC02123G","","","1.54178","CuKα","","0.0788","0.0519","","","0.1278","0.1458","","","","","","1.069","","","","has coordinates","253188","2020-10-21","18:00:00",""
"1560747","17.4975","0.0011","7.9423","0.0004","15.168","0.0009","90","","90","","90","","2107.9","0.2","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C3 H10 Co O8 P2 Sr -","- C3 H6 Co O8 P2 Sr -","- C24 H48 Co8 O64 P16 Sr8 -","8","0.5","","Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru","Hydrothermal syntheses and characterization of phenyl- and benzyl-phosphonates and ethylene- and propylene-diphosphonates of cobalt(II), ACo(O3PR)2·xH2O and ACo(O3P-R-PO3)·2H2O (A = Ca, Sr, Ba; R = Ph, CH2Ph, -CH2CH2-, -CH2CH2CH2-)","Journal of Solid State Chemistry","2018","268","","115","122","10.1016/j.jssc.2018.08.031","","","0.71073","MoKα","","0.0628","0.0355","","","0.0763","0.0874","","","","","","1.045","","","","has coordinates","262354","2021-03-02","08:35:50",""
"1561040","26.9594","0.0014","12.0086","0.0006","12.8839","0.0007","90","","90","","90","","4171.1","0.4","299","2","299","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C19 H15 Cu2 N3 O9 -","- C19 H15 Cu2 N3 O9 -","- C152 H120 Cu16 N24 O72 -","8","0.5","","Zhai, Bin; Song, Li-Li; Wang, Wen-Jing; Li, Zhong-Yi; Li, Su-Zhi; Zhang, Fu-Li; Zhang, Chi; Zang, Yun-Bo","Structures and magnetic properties of 3D manganese(II)- and 2D pillar-layered copper(II)-organic framework derived from mixed carboxylate ligands","Journal of Solid State Chemistry","2018","264","","29","34","10.1016/j.jssc.2018.04.034","","","0.71073","MoKα","","0.0762","0.0644","","","0.1602","0.1698","","","","","","1.05","","","","has coordinates","263062","2021-03-16","09:45:46",""
"1561295","18.781","0.005","8.548","0.003","16.228","0.005","90","","90","","90","","2605.2","1.4","360","0.13","360","0.13","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C8 H21 N O4 S -","- C8 H21 N O4 S -","- C64 H168 N8 O32 S8 -","8","0.5","","Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Markiewicz, Ewa; Hilczer, Bożena; Pietraszko, Adam","Structure, dielectric and electric properties of diisobutylammonium hydrogen sulfate crystal","Journal of Solid State Chemistry","2018","258","","753","761","10.1016/j.jssc.2017.11.042","","x-ray","0.71073","MoKα","","0.2227","0.1057","","","0.2841","0.3409","","","","","","0.869","","","","has coordinates,has disorder","263363","2021-03-26","10:04:11",""
"1562241","7.293","0.006","16.041","0.015","7.207","0.005","90","","90","","90","","843.1","1.2","293","2","293","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- Cd Cl I O3 -","- Cd Cl I O3 -","- Cd8 Cl8 I8 O24 -","8","0.5","","Yang, Bing-Ping; Mao, Jiang-Gao","Synthesis, crystal structure and optical properties of two new layered cadmium iodates: Cd(IO3)X (X=Cl, OH)","Journal of Solid State Chemistry","2014","219","","185","190","10.1016/j.jssc.2014.07.032","","","0.71073","MoKα","","0.0165","0.0157","","","0.0373","0.0378","","","","","","1.175","","","","has coordinates","264684","2021-04-29","07:42:08",""
"1562365","15.5471","0.0019","14.3403","0.0017","11.7315","0.0015","90","","90","","90","","2615.5","0.6","301","2","301","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- B K1.78 Na1.22 O14 Si4 U -","- B K1.776 Na1.224 O14 Si4 U -","- B8 K14.208 Na9.792 O112 Si32 U8 -","8","0.5","","Pace, Kristen A.; Klepov, Vladislav V.; Smith, Mark D.; Williams, Travis; Morrison, Gregory; Lauterbach, Jochen A.; Misture, Scott T.; zur Loye, Hans-Conrad","Hydrothermal Synthesis and Structural Investigation of a Crystalline Uranyl Borosilicate","Inorganics","2021","9","4","25","","10.3390/inorganics9040025","","","0.71073","MoKα","","0.0376","0.0356","","","0.0678","0.0686","","","","","","1.251","","","","has coordinates","264973","2021-05-05","16:53:27",""
"1563129","6.259529","0.000047","11.7254","0.0001","8.493747","0.000061","90","","90","","90","","623.403","0.008","","","","","","","","","","","","3","C m c e","-C 2ac 2","64","","beta Trimanganese Bis(vanadate(V))","","- Mn3 O8 V2 -","- Mn3 O8 V2 -","- Mn12 O32 V8 -","4","0.25","","Clemens, Oliver; Haberkorn, Robert; Beck, Horst Philipp","New phases in the system LiMnVO4–Mn3(VO4)2","Journal of Solid State Chemistry","2011","184","10","2640","2647","10.1016/j.jssc.2011.07.042","powder diffraction","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","288179","2023-12-08","10:00:50",""
"1563140","34.824","0.014","30.1","0.03","26.489","0.007","90","","90","","90","","27766","3","100","2","100","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C121.57 H111.15 B Cl7.15 F24 N O12 -","- C118 H104 B F24 N O12 -","- C944 H832 B8 F192 N8 O96 -","8","0.5","","DELLA SALA, PAOLO; Del Regno, Rocco; Di Marino, Luca; Calabrese, Carmela; Palo, Carmine; Talotta, Carmen; Geremia, Silvano; Hickey, Neal; Capobianco, Amedeo; Neri, Placido; Gaeta, Carmine","An Intramolecularly Self-Templated Synthesis of Macrocycles: The Self-Filling Effects on the Formation of Prismarenes","Chemical Science","2021","","","","","10.1039/D1SC02199K","","x-ray","0.7","Synchrotron","","0.1959","0.176","","","0.4399","0.4581","","","","","","1.607","","","","has coordinates,has disorder","265765","2021-06-04","01:05:39",""
"1566214","15.328","0.0015","7.662","0.007","16.633","0.0014","90","","90","","90","","1953.4","1.8","293","","293","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- As2 Mn S5 Tl2 -","- As2 Mn S5 Tl2 -","- As16 Mn8 S40 Tl16 -","8","0.5","","Anatoly V. Kasatkin; Jakub Plasil; Emil Makovicky; Nikita V. Chukanov; Radek Skoda; Atali A. Agakhanov; Sergey Y. Stepanov; Roman S. Palamarchuk","Auerbakhite, MnTl2As2S5, a new thallium sulfosalt from the Vorontsovskoe gold deposit, Northern Urals, Russia","Journal of GeoSciences","2021","66","","89","96","10.3190/jgeosci.321","","x-ray","0.71073","MoKα","","0.2931","0.0723","","","0.1535","0.247","","","","1.43","1.43","1.18","","","","has coordinates","272367","2022-02-01","08:30:11",""
"1567999","19.568","0.004","10.61","0.004","30.314","0.006","90","","90","","90","","6294","3","213","2","293","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C20 H30 Cu3 N6 Na O4 S6 -","- C20 H30 Cu3 N6 Na O4 S6 -","- C160 H240 Cu24 N48 Na8 O32 S48 -","8","0.5","","Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper","Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.","Chemical science","2023","14","2","266","276","10.1039/d2sc05201f","","","0.71073","MoKα","","0.0416","0.0318","","","0.0722","0.0747","","","","","","1.443","","","","has coordinates","283159","2023-05-05","01:02:33",""
"1570179","24.9493","0.0004","17.2771","0.0003","10.1867","0.0001","90","","90","","90","","4390.99","0.11","298","2","298","","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- C72 F8 I4 -","- C72 F8 I4 -","- C288 F32 I16 -","4","0.25","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.0554","0.0434","","","0.1103","0.1282","","","","","","1.094","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570207","32.415","0.003","23.5559","0.0003","16.0326","0.0002","90","","90","","90","","12241.9","1.2","100","","100","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C23.38 H16 Cu1.23 O7.38 -","- C23.3846 H16 Cu1.23077 O7.38462 -","- C304 H208 Cu16 O96 -","13","0.8125","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","0.82653","synchrotron","","0.1156","0.1077","","","0.2922","0.2957","","","","","","1.065","","","","has coordinates","288768","2024-01-06","07:39:05",""
"2001632","10.107","0.004","12.359","0.005","20.861","0.013","90","","90","","90","","2606","2","293","","","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C8 H8 O4 Re S4 -","- C8 H8 O4 Re S4 -","- C64 H64 O32 Re8 S32 -","8","0.5","PA1033","Mhanni, A.; Ouahab, L.; Grandjean, D.; Amouroux, J.; Fabre, J. M.","Structures of 3,4-dimethyl-2,2',5,5'-tetrathiafulvalene perrhenate, (DMTTF)ReO~4~, and 3',4'-dimethyl-3,4-tetramethylene-2,5-dithia-2',5'-diselenafulvalene hexafluorophosphate, (CHDTDMDSF)PF~6~","Acta Crystallographica Section C","1993","49","6","1187","1189","10.1107/S0108270192013222","","","0.71073","MoKα","","","0.031","","","0.051","","","","","1.347","1.347","","","","","has coordinates","206165","2020-10-21","18:00:00",""
"2002043","7.611","0.003","9.427","0.005","18.603","0.014","90","","90","","90","","1334.7","1.3","","","","","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- C7 F5 N -","- C7 F5 N -","- C56 F40 N8 -","8","0.5","SH1000","Lentz, D.; Preugschat, D.","Structure of pentafluorophenyl isocyanide at 115 K","Acta Crystallographica Section C","1993","49","1","52","54","10.1107/S0108270192006462","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","206165","2020-10-21","18:00:00",""
"2009767","11.701","0.001","11.067","0.001","10.55","0.001","90","","90","","90","","1366.2","0.2","295","","","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- Cl6 H12 N4 Pt Sn -","- Cl6 H12 N4 Pt Sn -","- Cl24 H48 N16 Pt4 Sn4 -","4","0.25","DU1058","Garnier, E.; El Mouahid, A.; Černák, J.","Tetraammineplatinum(II) hexachlorostannate(IV), [Pt(NH~3~)~4~][SnCl~6~]","Acta Crystallographica Section C","1994","50","6","845","847","10.1107/S0108270193011990","","","0.7093","MoKα","","","0.0361","","","0.0462","","","","","2.26","2.26","","","","","has coordinates","198528","2020-10-21","18:00:00",""
"2020369","25.715","","12.857","","6.787","","90","","90","","90","","2243.9","","","","","","","","","","","","","5","C m c e","-C 2ac 2","64","","K Ag (N O2)2 (H2 O).5","","- Ag H K N2 O4.5 -","- Ag K N2 O4.5 -","- Ag16 K16 N32 O72 -","16","1","","Okamura, Y.; Ishihara, M.; Ohba, S.; Saito, Y.","Structure of tetrapotassium trisilver heptanitrite and potassium silver dinitrite hemihydrate","Acta Crystallographica C (39,1983-)","1989","45","","353","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020636","5.5632","0.0002","9.8711","0.0006","14.3231","0.0012","90","","90","","90","","786.55","0.09","","","","","","","","","","","","3","C m c e","-C 2ac 2","64","BaGe2O5 III","","","- Ba Ge2 O5 -","- Ba Ge2 O5 -","- Ba8 Ge16 O40 -","8","0.5","","Ozima, M.","Structure of high-pressure phases of barium germanium oxide, BaGe~2~O~5~","Acta Crystallographica, Section C: Crystal Structure Communications","1985","41","7","1003","1007","10.1107/s0108270185006357","","","","","","","","","","","","","","","","","","","","","has coordinates","200795","2020-10-21","18:00:00",""
"2022312","6.0581","0.0017","15.045","0.004","7.94","0.002","90","","90","","90","","723.7","0.3","120","2","120","2","","","","","","","","3","C m c e","-C 2ac 2","64","","Dicerium trialuminium tetragermanide","","- Al3 Ce2 Ge4 -","- Al3 Ce2 Ge4 -","- Al12 Ce8 Ge16 -","4","0.25","OV3145","Tobash, Paul; Bobev, Svilen","The structure of Ce~2~Al~3~Ge~4~ refined for the first time from single-crystal X-ray diffraction data","Acta Crystallographica Section C","2021","77","2","81","83","10.1107/S2053229621000383","","","0.71073","MoKα","","0.0245","0.0219","","","0.0492","0.05","","","","","","1.071","","","","has coordinates,has Fobs","262764","2021-03-05","18:41:50",""
"2022534","14.3402","0.0014","14.2577","0.0012","13.1777","0.0013","90","","90","","90","","2694.3","0.4","100","2","100","2","","","","","","","","6","C m c e","-C 2ac 2","64","","Chlorido(3,9-dimethylundeca-3,8-diene-2,10-dione 10-oxime 2-oximato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')nickel(II)","","- C11 H19 Cl N4 Ni O2 -","- C11 H19 Cl N4 Ni O2 -","- C88 H152 Cl8 N32 Ni8 O16 -","8","0.5","ZO3017","Chang, Hsuan; Chen, Wen-Ching; Shen, Jiun-Shian; Ong, Tiow-Gan; Wang, Vincent C.-C.; Yap, Glenn P. A.","Mirror-plane disorder in a nickel chloride Schiff base complex: a suitable case study for crystallographic instruction","Acta Crystallographica Section C Structural Chemistry","2022","78","3","","","10.1107/S2053229622000973","","","0.71073","MoKα","","0.0523","0.0357","","","0.0713","0.0799","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","272866","2022-02-09","02:47:36",""
"2102498","18.46948","0.00006","16.1745","0.00005","16.82131","0.00005","90","","90","","90","","5025.11","0.03","293","","293","","","","","","","","","2","C m c e","-C 2ac 2","64","","magnesium iridium","","- Ir Mg -","- Ir Mg -","- Ir152 Mg152 -","152","9.5","AV5006","Cerný, Radovan; Renaudin, Guillaume; Favre-Nicolin, Vincent; Hlukhyy, Viktor; Pöttgen, Rainer","Mg~1+<i>x~</i>Ir~1{-~<i>x</i>} (<i>x</i> = 0, 0.037 and 0.054), a binary intermetallic compound with a new orthorhombic structure type determined from powder and single-crystal X-ray diffraction","Acta Crystallographica Section B","2004","60","3","272","281","10.1107/S0108768104009346","","","0.50012","synchrotron","","","","","","","","","","","","","","","","","has coordinates","198532","2020-10-21","18:00:00",""
"2107307","15.802","","8.021","","8.058","","90","","90","","90","","1021.33","","","","","","","","","","","","","2","C m c e","-C 2ac 2","64","","Eu5 As4","","- As4 Eu5 -","- As4 Eu5 -","- As16 Eu20 -","4","0.25","","Wang, Y.; Gabe, E.J.; Taylor, J.B.; Calvert, L.D.","Structure of europium arsenide Eu5 As4: A more symmetrical version of the Sm5 Ge4-type structure","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1962","1965","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2107358","14.165","","17.59","","10.205","","90","","90","","90","","2542.7","","","","","","","","","","","","","4","C m c e","-C 2ac 2","64","","Na2 Mg2 Si6 O15","","- Mg2 Na2 O15 Si6 -","- Mg2 Na2 O15 Si6 -","- Mg16 Na16 O120 Si48 -","8","0.5","","Cradwick, M.E.; Taylor, H.F.W.","The crystal structure of Na2 Mg2 Si6 O15","Acta Crystallographica B (24,1968-38,1982)","1972","28","","3583","3587","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2107458","19.638","0.006","4.8378","0.0016","28.856","0.008","90","","90","","90","","2741.5","1.4","100","2","100","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C120 H128 N16 O24 -","8","0.5","BI5051","Sovago, Ioana; Gutmann, Matthias J.; Senn, Hans Martin; Thomas, Lynne H.; Wilson, Chick C.; Farrugia, Louis J.","Electron density, disorder and polymorphism: high-resolution diffraction studies of the highly polymorphic neuralgic drug carbamazepine","Acta Crystallographica Section B","2016","72","1","39","50","10.1107/S2052520615019538","","","","","","0.0646","0.0646","","","0.1708","0.1708","","","","","","1.069","","","","has coordinates,has disorder","176610","2020-10-21","18:00:00",""
"2107459","19.705","0.008","4.847","0.002","28.891","0.011","90","","90","","90","","2759.4","1.9","100","2","100","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C120 H128 N16 O24 -","8","0.5","BI5051","Sovago, Ioana; Gutmann, Matthias J.; Senn, Hans Martin; Thomas, Lynne H.; Wilson, Chick C.; Farrugia, Louis J.","Electron density, disorder and polymorphism: high-resolution diffraction studies of the highly polymorphic neuralgic drug carbamazepine","Acta Crystallographica Section B","2016","72","1","39","50","10.1107/S2052520615019538","","","0.71073","MoKα","","0.0693","0.0388","","","0.0686","0.0738","","","","","","1.012","","","","has coordinates,has disorder","176610","2020-10-21","18:00:00",""
"2205693","10.898","0.002","21.521","0.005","6.623","0.002","90","","90","","90","","1553.3","0.7","298","2","298","2","","","","","","","","4","C m c e","-C 2ac 2","64","","tripotassium triiron(III) tetraarsenate","","- As4 Fe3 K3 O16 -","- As4 Fe3 K3 O16 -","- As16 Fe12 K12 O64 -","4","0.25","DN6202","Ouerfelli, Najoua; Zid, Mohamed Faouzi; Jouini, Tahar","Composé à charpente bidimensionnelle K~3~Fe~3~(AsO~4~)~4~","Acta Crystallographica, Section E","2005","61","5","i67","i69","10.1107/S1600536805008998","","","0.71073","MoKα","","0.0564","0.04","","","0.0945","0.1022","","","","","","1.076","","","","has coordinates","282068","2023-03-26","10:12:38",""
"2210884","8.833","0.002","17.012","0.003","13.868","0.003","90","","90","","90","","2083.9","0.7","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","trans-Bis(6-amino-6-methylperhydro-1,4-diazepine)zinc bis(perchlorate)","","- C12 H30 Cl2 N6 O8 Zn -","- C12 H30 Cl2 N6 O8 Zn -","- C48 H120 Cl8 N24 O32 Zn4 -","4","0.25","BI2077","Bortoluzzi, Adailton J.; Neves, Ademir; Terra, Geovana G.","<i>trans</i>-Bis(6-amino-6-methylperhydro-1,4-diazepine)zinc(II) bis(perchlorate)","Acta Crystallographica Section E","2006","62","11","m2965","m2966","10.1107/S1600536806041936","","","0.71073","MoKα","","0.0448","0.0316","","","0.078","0.0827","","","","","","1.067","","","","has coordinates,has Fobs","206165","2020-10-21","18:00:00",""
"2239136","10.493","0.001","20.395","0.004","6.335","0.004","90","","90","","90","","1355.7","0.9","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","Sodium potassium trialuminium tetrakis(orthoarsenate)","","- Al3 As4 K1.33 Na1.67 O16 -","- Al3 As4 K1.326 Na1.674 O16 -","- Al12 As16 K5.304 Na6.696 O64 -","4","0.25","","Bouhassine, Mohamad Alem; Boughzala, Habib","The aluminoarsenate Na~1.67~K~1.33~Al~3~(AsO~4~)~4~","Acta Crystallographica Section E","2014","70","1","i6","","10.1107/S1600536813033850","","","0.71073","MoKα","","0.0409","0.0379","","","0.1095","0.1118","","","","","","1.15","","","","has coordinates,has Fobs","287588","2023-11-14","18:05:45",""
"2241207","18.718","0.004","8.4175","0.0015","17.074","0.003","90","","90","","90","","2690.2","0.9","173","2","173","2","","","","","","","","5","C m c e","-C 2ac 2","64","","Di-μ-iodido-bis{[bis(piperidin-1-yl)methane-κ^2^<i>N</i>,<i>N</i>']copper(I)}","","- C22 H44 Cu2 I2 N4 -","- C22 H44 Cu2 I2 N4 -","- C88 H176 Cu8 I8 N16 -","4","0.25","","Barth, Eva Rebecca; Golz, Christopher; Strohmann, Carsten","Crystal structure of di-μ-iodido-bis{[bis(piperidin-1-yl)methane-κ^2^<i>N</i>,<i>N</i>']copper(I)}","Acta Crystallographica Section E","2015","71","11","m193","m194","10.1107/S2056989015018757","","","0.71073","MoKα","","0.0479","0.0319","","","0.0646","0.0701","","","","","","1.069","","","","has coordinates,has Fobs","206165","2020-10-21","18:00:00",""
"2241323","19.4605","0.0006","15.5108","0.0006","13.7374","0.0005","90","","90","","90","","4146.6","0.3","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","Bis(4-acetylanilinium) tetrachloridocobaltate(II)","","- C16 H20 Cl4 Co N2 O2 -","- C16 H20 Cl4 Co N2 O2 -","- C128 H160 Cl32 Co8 N16 O16 -","8","0.5","","Thairiyaraja, Manickam; Elangovan, Arumugam; Shanmugam, Ramasamy; Selvaraju, Kuthambalam; Thamotharan, Subbiah","Crystal structure of bis(4-acetylanilinium) tetrachloridocobaltate(II)","Acta Crystallographica Section E","2015","71","12","m221","m222","10.1107/S2056989015021404","","","0.71073","MoKα","","0.0614","0.0385","","","0.1088","0.123","","","","","","1.05","","","","has coordinates,has Fobs","206165","2020-10-21","18:00:00",""
"2241362","19.9231","0.0006","15.3515","0.0006","13.7587","0.0005","90","","90","","90","","4208.1","0.3","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","Bis(4-acetylanilinium) tetrachloridomercurate(II)","","- C16 H20 Cl4 Hg N2 O2 -","- C16 H20 Cl4 Hg N2 O2 -","- C128 H160 Cl32 Hg8 N16 O16 -","8","0.5","","Thairiyaraja, Manickam; Elangovan, Arumugam; Arivazhagan, Ganesh; Selvaraju, Kuthambalam; Thamotharan, Subbiah","Crystal structure of bis(4-acetylanilinium) tetrachloridomercurate(II)","Acta Crystallographica Section E","2015","71","12","m236","m237","10.1107/S2056989015022355","","","0.71073","MoKα","","0.0419","0.0233","","","0.0502","0.0562","","","","","","1.037","","","","has coordinates,has Fobs","206165","2020-10-21","18:00:00",""
"2243601","6.8801","0.0003","19.752","0.0011","23.2734","0.0013","90","","90","","90","","3162.8","0.3","120","","120","","","","","","","","","4","C m c e","-C 2ac 2","64","strontium isobutyrate pentahydrate","<i>catena</i>-Poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-\ κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')strontium] 2-methylpropanoate dihydrate]","","- C8 H24 O9 Sr -","- C8 H24 O9 Sr -","- C64 H192 O72 Sr8 -","8","0.5","WM5584","Samolová, Erika; Fábry, Jan","Crystal structures of <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')calcium] 2-methylpropanoate dihydrate], <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')strontium] 2-methylpropanoate dihydrate] and <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')(calcium/strontium)] 2-methylpropanoate dihydrate]","Acta Crystallographica Section E","2020","76","10","1684","1688","10.1107/S2056989020012888","","x-ray","0.71073","MoKα","","0.0254","0.021","","","0.0543","0.0552","","","","1.87","1.87","1.79","","","","has coordinates,has Fobs","256795","2020-10-21","18:00:00",""
"2300670","26.7958","0.0018","7.1586","0.0005","14.1598","0.0011","90","","90","","90","","2716.1","0.3","20","2","","","","","","","","","","2","C m c e","-C 2ac 2","64","","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","0.25","","Krause, Lennard; Tolborg, Kasper; Grønbech, Thomas Bjørn Egede; Sugimoto, Kunihisa; Iversen, Bo Brummerstedt; Overgaard, Jacob","Accurate high-resolution single-crystal diffraction data from a Pilatus3 X CdTe detector","Journal of Applied Crystallography","2020","53","3","635","","10.1107/S1600576720003775","","","","","","0.038","0.038","","","","0.025","","","","","","1.029","","","","has coordinates,has Fobs","256219","2020-10-21","18:00:00",""
"2311296","16.8552","0.0004","22.7112","0.0007","15.5503","0.0004","90","","90","","90","","5952.7","0.3","173","2","173","2","","","","","","","","5","C m c e","-C 2ac 2","64","","Undecapotassium bis[α-hemipentahydrogen hexamolybdoplatinate(IV)] dodecahydrate","","- H14.5 K5.5 Mo6 O30 Pt -","- H14.5 K5.5 Mo6 O30 Pt -","- H116 K44 Mo48 O240 Pt8 -","8","0.5","","Joo, Hea-Chung; Park, Ki-Min; Lee, Uk","Crystal structure of undeca-potassium bis-[α-hemi-penta-hydrogen hexa-molybdoplatinate(IV)] dodeca-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 8","986","988","10.1107/S2056989015014188","","","0.71073","MoKα","","0.0391","0.0306","","","0.0722","0.0761","","","","","","1.058","","","","has coordinates","245768","2020-10-21","18:00:00",""
"2311604","6.9132","0.0001","23.9825","0.0002","17.3695","0.0002","90","","90","","90","","2879.79","0.06","100","2","100","2","","","","","","","","5","C m c e","-C 2ac 2","64","","Poly[tetrakis(<i>n</i>-propylammonium) [octa-μ-chlorido-dichloridotrinickelate(II)]]","","- C12 H40 Cl10 N4 Ni3 -","- C12 H40 Cl10 N4 Ni3 -","- C48 H160 Cl40 N16 Ni12 -","4","0.25","FG3235","Talley, Allison; Kelley, Annette F.; Bond, Marcus R.","Poly[tetrakis(n-propylammonium) [octa-μ-chlorido-dichloridotrinickelate(II)]]: a hybrid organic-inorganic layer compound in the Cs4Mg3F10 structure type.","Acta crystallographica. Section C, Crystal structure communications","2011","67","Pt 12","m395","9","10.1107/S0108270111050116","","","0.71073","MoKα","","0.0292","0.0231","","","0.0531","0.0558","","","","","","1.034","","","","has coordinates","246019","2020-10-21","18:00:00",""
"2311605","6.9786","0.0001","24.0608","0.0005","17.4131","0.0003","90","","90","","90","","2923.85","0.09","240","2","240","2","","","","","","","","5","C m c e","-C 2ac 2","64","","Poly[tetrakis(<i>n</i>-propylammonium) [octa-μ-chlorido-dichloridotrinickelate(II)]]","","- C12 H40 Cl10 N4 Ni3 -","- C12 H40 Cl10 N4 Ni3 -","- C48 H160 Cl40 N16 Ni12 -","4","0.25","FG3235","Talley, Allison; Kelley, Annette F.; Bond, Marcus R.","Poly[tetrakis(n-propylammonium) [octa-μ-chlorido-dichloridotrinickelate(II)]]: a hybrid organic-inorganic layer compound in the Cs4Mg3F10 structure type.","Acta crystallographica. Section C, Crystal structure communications","2011","67","Pt 12","m395","9","10.1107/S0108270111050116","","","0.71073","MoKα","","0.1043","0.0381","","","0.0743","0.0882","","","","","","0.997","","","","has coordinates,has disorder","246019","2020-10-21","18:00:00",""
"2312005","26.7972","0.0003","7.1617","0.0001","14.194","0.0002","90","","90","","90","","2724.02","0.06","100","1","100","1","","","","","","","","2","C m c e","-C 2ac 2","64","Rubrene","5,6,11,12-tetraphenyltetracene","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","0.25","PC5039","Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B.","Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ","Acta Crystallographica Section A Foundations and Advances","2014","70","6","679","","10.1107/S2053273314015599","","neutron","","neutron","","","0.046","","","","0.055","","","1.57","","","1.57","","","","has coordinates","246242","2020-10-21","18:00:00",""
"2312006","26.8106","0.0003","7.1602","0.0001","14.2029","0.0001","90","","90","","90","","2726.52","0.05","100","2","100","2","","","","","","","","2","C m c e","-C 2ac 2","64","Rubrene","5,6,11,12-tetraphenyltetracene","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","0.25","PC5039","Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B.","Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ","Acta Crystallographica Section A Foundations and Advances","2014","70","6","679","","10.1107/S2053273314015599","","","0.7107","MoKα","","0.041","0.022","","","","0.055","","","","","","1.492","","","","has coordinates","246242","2020-10-21","18:00:00",""
"2312007","26.8106","0.0003","7.1602","0.0001","14.2029","0.0001","90","","90","","90","","2726.52","0.05","100","2","100","2","","","","","","","","2","C m c e","-C 2ac 2","64","Rubrene","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","0.25","PC5039","Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B.","Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ","Acta Crystallographica Section A Foundations and Advances","2014","70","6","679","","10.1107/S2053273314015599","","","0.7107","MoKα","","0.041","0.022","","","","0.055","","","","","","1.492","","","","has coordinates","246242","2020-10-21","18:00:00",""
"2312008","26.8106","0.0003","7.1602","0.0001","14.2029","0.0001","90","","90","","90","","2726.52","0.05","100","2","100","2","","","","","","","","2","C m c e","-C 2ac 2","64","Rubrene","5,6,11,12-tetraphenyltetracene","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","0.25","PC5039","Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B.","Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ","Acta Crystallographica Section A Foundations and Advances","2014","70","6","679","","10.1107/S2053273314015599","","","0.7107","MoKα","","0.066","0.047","","","","0.135","0.096","","","","","3.552","","","","has coordinates","246242","2020-10-21","18:00:00",""
"2312009","26.8106","0.0003","7.1602","0.0001","14.2029","0.0001","90","","90","","90","","2726.52","0.05","100","2","100","2","","","","","","","","2","C m c e","-C 2ac 2","64","Rubrene","5,6,11,12-tetraphenyltetracene","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","0.25","PC5039","Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B.","Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ","Acta Crystallographica Section A Foundations and Advances","2014","70","6","679","","10.1107/S2053273314015599","","","0.7107","MoKα","","0.062","0.033","","","","0.068","0.045","","","","","1.31","","","","has coordinates","246242","2020-10-21","18:00:00",""
"3500052","7.79236","0.00018","19.6501","0.0005","10.6869","0.0003","90","","90","","90","","1636.39","0.07","295","","295","","","","","","","","Hydrothermal synthesis","5","C m c e","-C 2ac 2","64","","","","- F10 Ga2 H2 O Sr2 -","- F10 Ga2 H2 O Sr2 -","- F80 Ga16 H16 O8 Sr16 -","8","0.5","","Armel Le Bail","Sr2Ga2F10.H2O isostructural with Sr2Fe2F10.H2O","Personal communication to COD","2016","","","","","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","6.3336","","","","","","","","has coordinates","188867","2020-10-21","18:00:00",""
"3500053","7.773","0.00019","19.7953","0.0005","10.7228","0.0003","90","","90","","90","","1649.91","0.07","295","","295","","","","","","","","Hydrothermal synthesis","5","C m c e","-C 2ac 2","64","","","","- Cr2 F10 H2 O Sr2 -","- Cr2 F10 H2 O Sr2 -","- Cr16 F80 H16 O8 Sr16 -","8","0.5","","Armel Le Bail","Sr2Cr2F10.H2O isostructural with Sr2Fe2F10.H2O","Personal communication to COD","2016","","","","","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","4.2915","","","","","","","","has coordinates","188870","2020-10-21","18:00:00",""
"4024348","6.9875","0.001","15.011","0.002","16.556","0.002","90","","90","","90","","1736.5","0.4","153","2","","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C8 H14 B N -","- C8 H14 B N -","- C64 H112 B8 N8 -","8","0.5","","Piotr Kaszynski; Serhii Pakhomov; Mikhail E. Gurskii; Sergey Yu. Erdyakov; Zoya A. Starikova; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Victor G. Young; Yurii N. Bubnov","1-Pyridine- and 1-Quinuclidine-1-boraadamantane as Models for Derivatives of 1-Borabicyclo[2.2.2]octane. Experimental and Theoretical Evaluation of the B-N Fragment as a Polar Isosteric Substitution for the C-C Group in Liquid Crystal Compounds","Journal of Organic Chemistry","2009","74","","1709","1720","10.1021/jo802504c","","","","","","","","","","","","","","","","","","","","","has coordinates","265253","2021-05-16","09:36:36",""
"4029484","10.839","0.002","15.667","0.003","21.444","0.004","90","","90","","90","","3641.5","1.2","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C16 H24 Ag F6 P -","- C16 H24 Ag F6 P -","- C128 H192 Ag8 F48 P8 -","8","0.5","","Bera, Milan; Roy, Sujit","Silver(I)-catalyzed dual activation of propargylic alcohol and aziridine/azetidine: triggering ring-opening and endo-selective ring-closing in a cascade.","The Journal of organic chemistry","2009","74","22","8814","8817","10.1021/jo901877f","","","0.71073","MoKα","","0.0807","0.0506","","","0.1318","0.1531","","","","","","1.029","","","","has coordinates","264242","2021-04-16","08:49:18",""
"4077799","14.087","0.003","11.5738","0.0017","16.137","0.003","90","","90","","90","","2631","0.8","293","2","293","2","","","","","","","","4","C m c e","-C 2ac 2","64","","[η^5^(1-trimethylsilyl-2,3,4,5-tetramethyl-cyclopentadienyl)]-titanium(II)","","- C24 H42 Si2 Ti -","- C24 H42 Si2 Ti -","- C96 H168 Si8 Ti4 -","4","0.25","","Horáček, Michal; Kupfer, Volkmar; Thewalt, Ulf; Štěpnička, Petr; Polášek, Miroslav; Mach, Karel","Bis[η5-tetramethyl(trimethylsilyl)cyclopentadienyl]titanium(II) and Its π-Complexes with Bis(trimethylsilyl)acetylene and Ethylene","Organometallics","1999","18","18","3572","","10.1021/om990286k","","","0.71073","MoKα","","0.0562","0.0491","","","0.147","0.1523","","","","","","1.084","","","","has coordinates","264764","2021-05-03","08:11:05",""
"4083477","19.2611","0.0013","12.5501","0.0008","14.35","0.0009","90","","90","","90","","3468.8","0.4","298","2","298","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C18 H20 N4 Si -","- C18 H20 N4 Si -","- C144 H160 N32 Si8 -","8","0.5","","Zhao, Shu-Bin; Wang, Rui-Yao; Wang, Suning","Reactivity of SiMe3- and SnR3-Functionalized Bis(7-azaindol-1-yl)methane with [PtR2(μ-SMe2)]n(R = Me, Ph) and the Resulting Pt(II) and Pt(IV) Complexes","Organometallics","2009","28","8","2572","","10.1021/om900022n","","","0.71073","MoKα","","0.0446","0.0374","","","0.1016","0.1086","","","","","","1.07","","","","has coordinates","273129","2022-02-23","10:11:33",""
"4088774","10.9462","0.0008","11.8486","0.001","17.7478","0.0013","90","","90","","90","","2301.8","0.3","100","","100.14","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C8 H22 Mn N2 -","- C8 H22 Mn N2 -","- C64 H176 Mn8 N16 -","8","0.5","","Stalzer, Madelyn M.; Telser, Joshua; Krzystek, Jurek; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J.","A Neutrally Charged Trimethylmanganese(III) Complex: Synthesis, Characterization, and Disproportionation Chemistry","Organometallics","2016","35","16","2683","","10.1021/acs.organomet.6b00422","","x-ray","0.71073","MoKα","","0.0462","0.0358","","","0.1101","0.1152","","","","","","1.06","","","","has coordinates,has disorder","237822","2020-10-21","18:00:00",""
"4089492","17.979","0.008","31.232","0.019","15.858","0.007","90","","90","","90","","8905","8","173","2","173","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C80 H88 Cl8 N16 Ni4 O8 S4 -","- C80 H84 Cl8 N16 Ni4 O8 S4 -","- C320 H336 Cl32 N64 Ni16 O32 S16 -","4","0.25","","Liu, Qing-Xiang; Yao, Zhao-Quan; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Xiu-Guang","NHC Metal (Silver, Mercury, and Nickel) Complexes Based on Quinoxaline‒Dibenzimidazolium Salts: Synthesis, Structural Studies, and Fluorescent Chemosensors for Cu2+by Charge Transfer","Organometallics","2013","32","12","3493","","10.1021/om400277z","","","0.71073","MoKα","","0.1574","0.1331","","","0.277","0.2939","","","","","","1.16","","","","has coordinates,has disorder","243656","2020-10-21","18:00:00",""
"4103088","29.819","0.002","27.014","0.002","26.777","0.002","90","","90","","90","","21570","3","193","2","193","2","","","","","","","","4","C m c e","-C 2ac 2","64","U20Py6a","","","- K10 O134 P12 U20 -","- K10 O134 P12 U20 -","- K40 O536 P48 U80 -","4","0.25","","Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns","Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters","Journal of the American Chemical Society","2010","132","","13395","13402","10.1021/ja1048219","","","0.71073","MoKα","","0.053","0.0469","","","0.1499","0.1527","","","","","","1.173","","","","has coordinates","270822","2021-11-23","08:35:27",""
"4108267","44.289","0.002","39.49","0.002","37.176","0.002","90","","90","","90","","65020","6","153","2","153","2","","","","","","","","5","C m c e","-C 2ac 2","64","MOP-23","","","- C436 H556 Cu24 N28 O168 -","- C316 H188 Cu24 N6 O120 -","- C1264 H752 Cu96 N24 O480 -","4","0.25","","Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi","Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra","Journal of the American Chemical Society","2008","130","","11650","11661","10.1021/ja803783c","","","0.71073","MoKα","","0.1497","0.0843","","","0.2026","0.2282","","","","","","0.864","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4122974","23.524","0.005","31.791","0.007","48.797","0.01","90","","90","","90","","36493","13","110","2","110","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C168 H104 Cu8 N24 O56 -","- C168 H104 Cu8 N24 O56 -","- C672 H416 Cu32 N96 O224 -","4","0.25","","Park, Jinhee; Chen, Ying-Pin; Perry, Zachary; Li, Jian-Rong; Zhou, Hong-Cai","Preparation of Core-Shell Coordination Molecular Assemblies via the Enrichment of Structure-Directing ""Codes"" of Bridging Ligands and Metathesis of Metal Units.","Journal of the American Chemical Society","2014","","","141120112955009","","10.1021/ja508822r","","","0.71073","MoKα","","0.2137","0.1591","","","0.3077","0.3287","","","","","","1.009","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4123606","26.038","0.006","17.781","0.004","15.709","0.003","90","","90","","90","","7273","3","110","","110","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C42 H36 N2 O6 -","- C42 H36 N2 O6 -","- C336 H288 N16 O48 -","8","0.5","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.0706","0.0662","","","0.1885","0.1925","","","","","","1.21","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123610","26.2108","","17.8309","","15.8034","","90","","90","","90","","7385.91","","110","","110","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C42.1 H36.1 Cl0.3 N2 O6 -","- C42.1 H36 Cl0.4 N2 O6 -","- C336.8 H288 Cl3.2 N16 O48 -","8","0.5","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.085","0.078","","","0.1915","0.1963","","","","","","1.167","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4128537","39.75","0.002","8.2718","0.0004","8.2733","0.0005","90","","90","","90","","2720.3","0.3","360","2","360","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H24 Br7 Cs N2 Pb2 -","- C8 H24 Br7 Cs N2 Pb2 -","- C32 H96 Br28 Cs4 N8 Pb8 -","4","0.25","","Wu, Zhenyue; Liu, Xitao; Ji, Chengmin; Li, Lina; Wang, Sasa; Peng, Yu; Tao, Kewen; Sun, Zhihua; Hong, Maochun; Luo, Junhua","Discovery of an Above-Room-Temperature Antiferroelectric in Two-Dimensional Hybrid Perovskite.","Journal of the American Chemical Society","2019","141","9","3812","3816","10.1021/jacs.8b13827","","","0.71073","MoKα","","0.0855","0.0453","","","0.0995","0.1196","","","","","","1.025","","","","has coordinates","221618","2020-10-21","18:00:00",""
"4128901","21.7592","0.0018","26.906","0.002","25.728","0.002","90","","90","","90","","15063","2","150","2","150","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C32 H161 Mo4 N16 O117 P3 W26 -","- C12 Mo4 N7.2 O109.8 P3 W26 -","- C48 Mo16 N28.8 O439.2 P12 W104 -","4","0.25","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.0766","0.0514","","","0.1393","0.1804","","","","","","1.184","","","","has coordinates,has disorder","221937","2020-10-21","18:00:00",""
"4129268","18.9951","0.0016","15.3883","0.0008","20.0151","0.0013","90","","90","","90","","5850.5","0.7","183","2","183","2","","","","","","","","6","C m c e","-C 2ac 2","64","","(μ^2^-Buta-1,3-diyne-1,4-diyl){tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]}bis(thiocyanato-κ<i>N</i>)diiron","","- C46 H104 Fe2 N2 P8 S2 -","- C46 H104 Fe2 N2 P8 S2 -","- C184 H416 Fe8 N8 P32 S8 -","4","0.25","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.099","0.0667","","","0.1588","0.1779","","","","","","1.043","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4130177","26.0154","0.0007","70.791","0.002","43.7088","0.0014","90","","90","","90","","80497","4","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C106 H70 N26 O24 S3 Zn9.5 -","- C102 H54 N24 O24 S3 Zn9.5 -","- C816 H432 N192 O192 S24 Zn76 -","8","0.5","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71073","MoKα","","0.0945","0.0754","","","0.2156","0.2341","","","","","","1.106","","","","has coordinates,has disorder","240723","2020-10-21","18:00:00",""
"4130434","26.977","0.004","14.654","0.002","23.39","0.003","90","","90","","90","","9247","2","100","","100","","","","","","","","dichloromethane","9","C m c e","-C 2ac 2","64","","Title","","- C43 H39 As2 B2 Cl F14 N3 O Rh -","- C43 H39 As2 B2 Cl F14 N3 O Rh -","- C344 H312 As16 B16 Cl8 F112 N24 O8 Rh8 -","8","0.5","","Dube, Jonathan W.; Zheng, Yiying; Thiel, Walter; Alcarazo, Manuel","α-Cationic Arsines: Synthesis, Structure, Reactivity, and Applications.","Journal of the American Chemical Society","2016","138","21","6869","6877","10.1021/jacs.6b03500","","","0.71073","Mo-Kα","","0.0737","0.0368","","","0.0777","0.0931","","","","","","1.087","","","","has coordinates,has disorder","240867","2020-10-21","18:00:00",""
"4133136","16.408","0.003","9.176","0.002","22.573","0.005","90","","90","","90","","3398.6","1.2","100","2","100","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C32 H22 N2 O8 S4 Zn2 -","- C32 H22 N2 O8 S4 Zn2 -","- C128 H88 N8 O32 S16 Zn8 -","4","0.25","","Zhu, Ai-Xin; Yang, Qing-Yuan; Kumar, Amrit; Crowley, Clare; Mukherjee, Soumya; Chen, Kai-Jie; Wang, Shi-Qiang; O Nolan, Daniel; Shivanna, Mohana; Zaworotko, Michael J.","Coordination Network That Reversibly Switches between Two Nonporous Polymorphs and a High Surface Area Porous Phase.","Journal of the American Chemical Society","2018","140","46","15572","15576","10.1021/jacs.8b08642","","","1.54178","CuKα","","0.149","0.099","","","0.2366","0.2681","","","","","","1.073","","","","has coordinates","242971","2020-10-21","18:00:00",""
"4133881","13.171","0.0004","11.3315","0.0004","12.6496","0.0004","90","","90","","90","","1887.92","0.11","100","2","100","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C18 H26 Co F6 P -","- C18 H26 Co F6 P -","- C72 H104 Co4 F24 P4 -","4","0.25","","Zhu, Tianyu; Sha, Ye; Adabi Firouzjaie, Horie; Peng, Xiong; Cha, Yujin; Dissanayake, D. M. M. Mevan; Smith, Mark D.; Vannucci, Aaron K.; Mustain, William Earl; Tang, Chuanbing","Rational Synthesis of Metallo-Cations Toward Redox- and Alkaline-Stable Metallo-Polyelectrolytes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12051","","x-ray","0.71073","MoKα","","0.0388","0.0335","","","0.072","0.0737","","","","","","1.271","","","","has coordinates","246334","2020-10-21","18:00:00",""
"4134109","8.3285","0.0003","51.1418","0.0017","8.3709","0.0003","90","","90","","90","","3565.5","0.2","330","2","330","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C10 H36 Br10 N4 Sn3 -","- C10 H36 Br10 N4 Sn3 -","- C40 H144 Br40 N16 Sn12 -","4","0.25","","Li, Lina; Liu, Xitao; He, Chao; Wang, Sasa; Ji, Chengmin; Zhang, Xinyuan; Sun, Zhihua; Zhao, Sangen; Hong, Maochun; Luo, Junhua","A Potential Sn-Based Hybrid Perovskite Ferroelectric Semiconductor.","Journal of the American Chemical Society","2020","142","3","1159","1163","10.1021/jacs.9b11341","","","0.71073","MoKα","","0.089","0.0628","","","0.175","0.2008","","","","","","1.007","","","","has coordinates","247487","2020-10-21","18:00:00",""
"4134610","30.91","","27.384","","20.633","","90","","90","","90","","17464.6","","273","2","272.99","","","","","","","","","4","C m c e","-C 2ac 2","64","","PFC-12","","- C24 H15 N3 O6 -","- C24 H15 N3 O6 -","- C576 H360 N72 O144 -","24","1.5","","Li, Yu-Lin; Alexandrov, Eugeny V.; Yin, Qi; Li, Lan; Fang, Zhi-Bin; Yuan, Wenbing; Proserpio, Davide M.; Liu, Tian-Fu","Record Complexity in the Polycatenation of Three Porous Hydrogen-bonded Organic Frameworks with Stepwise Adsorption Behaviors.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02406","","x-ray","1.54178","CuKα","","0.1778","0.0789","","","0.2219","0.3022","","","","","","0.923","","","","has coordinates","250012","2020-10-21","18:00:00",""
"4134823","18.9919","0.0014","25.2308","0.0018","21.8579","0.0016","90","","90","","90","","10473.9","1.3","110.04","","110.04","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C84 H154 O24 Si14 U -","- C84 H80 O24 Si14 U -","- C336 H320 O96 Si56 U4 -","4","0.25","","Assefa, Mikiyas K.; Wu, Guang; Hayton, Trevor W.","Uranyl oxo silylation promoted by silsesquioxane coordination.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00990","","","0.71073","MoKα","","0.0949","0.0714","","","0.1784","0.1936","","","","","","1.047","","","","has coordinates,has disorder","251275","2020-10-21","18:00:00",""
"4134995","10.3925","0.0008","8.0781","0.0006","23.3552","0.0019","90","","90","","90","","1960.7","0.3","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C6 H12 F2 I N -","- C6 H12 F2 I N -","- C48 H96 F16 I8 N8 -","8","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0502","0.0355","","","0.0933","0.1017","","","","","","1.031","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4305049","18.191","0.006","19.103","0.006","37.062","0.011","90","","90","","90","","12879","7","120","2","120","2","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- Ba21 Cd4 Sb18 -","- Ba21 Cd4 Sb18 -","- Ba168 Cd32 Sb144 -","8","0.5","","Sheng-Qing Xia; Svilen Bobev","Zintl Phase Variations Through Cation Selection. Synthesis and Structure of A21Cd4Pn18 (A = Eu, Sr, Ba; Pn = Sb, Bi)","Inorganic Chemistry","2008","47","","1919","1921","10.1021/ic800242a","","","0.71073","MoKα","","0.0291","0.0245","","","0.0484","0.0505","","","","","","1.168","","","","has coordinates","271679","2022-01-02","08:39:52",""
"4305774","13.2652","0.0007","15.2401","0.0008","8.3637","0.0005","90","","90","","90","","1690.83","0.16","250","2","250","2","","","","","","","","4","C m c e","-C 2ac 2","64","","[Na(N2C10H8)0.5(C2N2H8)]","","- C14 H24 N6 Na2 -","- C14 H24 N6 Na2 -","- C56 H96 N24 Na8 -","4","0.25","","Mark S. Denning; Mark Irwin; Jose M. Goicoechea","Synthesis and Characterization of the 4,4'-Bipyridyl Dianion and Radical Monoanion. A Structural Study","Inorganic Chemistry","2008","47","","6118","6120","10.1021/ic800726p","","","0.71073","MoKα","","0.0874","0.0688","","","0.1953","0.2074","","","","","","1.086","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4310026","6.818","0.001","16.535","0.003","15.868","0.003","90","","90","","90","","1788.9","0.5","150.2","","","","","","","","","","","4","C m c e","-C 2ac 2","64","Cu-(NH3)4-HAP2","copper complex of 1,3,4,6,7,9-Hexaazaphenalenyl anion","","- C14 H18 Cu N16 -","- C14 H18 Cu N16 -","- C56 H72 Cu4 N64 -","4","0.25","","Shuichi Suzuki; Yasushi Morita; Kozo Fukui; Kazunobu Sato; Daisuke Shiomi; Takeji Takui; Kazuhiro Nakasuji","Hexaazaphenalenyl Anion Revisited: A Highly Symmetric Planar π System with Multiple-Networking Ability for Self-Assembled Metal Complexation","Inorganic Chemistry","2005","44","","8197","8199","10.1021/ic051583m","","","0.7107","MoKα","","","0.0355","","","","0.0951","","","","","","1.18","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4315443","15.0905","0.001","11.4741","0.0008","9.9484","0.0006","90","","90","","90","","1722.6","0.2","90","2","90","2","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- C20 H30 Fe -","- C20 H30 Fe -","- C80 H120 Fe4 -","4","0.25","","Anna M. Makal; Damian Plażuk; Janusz Zakrzewski; Bogusław Misterkiewicz; Krzysztof Woźniak","Experimental Charge Density Analysis of Symmetrically Substituted Ferrocene Derivatives","Inorganic Chemistry","2010","49","","4046","4059","10.1021/ic9019958","","","0.71073","MoKα","","0.0435","0.0313","","","0.0698","0.0784","","","","","","1.071","","","","has coordinates","264764","2021-05-03","08:11:06",""
"4319111","6.898","0.001","7.31","0.001","20.127","0.001","90","","90","","90","","1014.9","0.2","173","2","173","2","","","","","","","","4","C m c e","-C 2ac 2","64","","(Trifluoromethyl)iodine chloride fluoride","","- C Cl F4 I -","- C Cl F4 I -","- C8 Cl8 F32 I8 -","8","0.5","","Rolf Minkwitz; Michael Berkei","Crystal Structure of CF3I(Cl)F","Inorganic Chemistry","2001","40","","36","38","10.1021/ic000439s","","","0.71069","MoKα","","0.0409","0.0372","","0.0999","0.0981","","","","1.149","1.195","1.195","","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4320880","19.56","0.005","16.257","0.004","19.05","0.004","90","","90","","90","","6058","2","296.2","","296.2","","","","","","","","","6","C m c e","-C 2ac 2","64","[Bu4N][trans-{Re6S8Cl4(pz)2}]","","","- C40 H80 Cl4 N6 Re6 S8 -","- C40 H80 Cl4 N6 Re6 S8 -","- C160 H320 Cl16 N24 Re24 S32 -","4","0.25","","Takashi Yoshimura; Keisuke Umakoshi; Yoichi Sasaki; Shoji Ishizaka; Haeng-Boo Kim; Noboru Kitamura","Emission and Metal- and Ligand-Centered-Redox Characteristics of the Hexarhenium(III) Clusters trans- and cis-[Re6(μ3-S)8Cl4(L)2]2-, Where L Is a Pyridine Derivative or Pyrazine","Inorganic Chemistry","2000","39","","1765","1772","10.1021/ic991282a","","","0.7107","MoKα","","0.0331","0.0331","","","0.04","0.04","","","","","","1.82","","","","has coordinates","269108","2021-09-13","08:22:43",""
"4322347","6.99","0.001","7.985","0.001","21.177","0.001","90","","90","","90","","1182","0.2","173","2","173","2","","","","","","","","4","C m c e","-C 2ac 2","64","trifluoromethyl iodine dichloride","trifluoromethyl iodine dichloride","","- C Cl2 F3 I -","- C Cl2 F3 I -","- C8 Cl16 F24 I8 -","8","0.5","","Rolf Minkwitz; Michael Berkei","A New Method for Preparation and Crystal Structure of (Trifluoromethyl)iodine Dichloride","Inorganic Chemistry","1999","38","","5041","5044","10.1021/ic990441n","","","0.71069","MoKα","","0.0554","0.0341","","0.1151","0.0631","","","","1.876","1.177","1.177","","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4333131","15.577","0.003","16.197","0.003","12.805","0.003","90","","90","","90","","3230.7","1.1","295","2","295","2","","","","","","","","5","C m c e","-C 2ac 2","64","","hexacarbonyldi-μ-hydro(μ-phthalazine-κN2:κN3)dirhenium","","- C14 H8 N2 O6 Re2 -","- C14 H8 N2 O6 Re2 -","- C112 H64 N16 O48 Re16 -","8","0.5","","Panigati, Monica; Donghi, Daniela; D'Alfonso, Giuseppe; Mercandelli, Pierluigi; Sironi, Angelo; D'Alfonso, Laura","Luminescent Hydrido-Carbonyl Clusters of Rhenium Containing Bridging 1,2-Diazine Ligands","Inorganic Chemistry","2006","45","26","10909","10921","10.1021/ic061467z","","","0.71073","MoKα","","0.0458","0.0236","","","0.0457","0.0497","","","","","","0.958","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4344633","10.507","0.002","7.436","0.002","10.773","0.002","90","","90","","90","","841.7","0.3","293","2","293","2","","","","","","","","4","C m c e","-C 2ac 2","64","Gallium borate","Ga2B3O7(OH)","","- B3 Ga2 H O8 -","- B3 Ga2 O8 -","- B24 Ga16 O64 -","8","0.5","","Vitzthum, Daniela; Schauperl, Michael; Strabler, Christof M.; Brüggeller, Peter; Liedl, Klaus R.; Griesser, Ulrich J.; Huppertz, Hubert","New High-Pressure Gallium Borate Ga2B3O7(OH) with Photocatalytic Activity.","Inorganic chemistry","2016","55","2","676","681","10.1021/acs.inorgchem.5b02027","","","0.71073","MoKα","","0.029","0.0274","","","0.0766","0.0774","","","","","","1.145","","","","has coordinates","175534","2020-10-21","18:00:00",""
"4345048","25.5559","0.0018","18.5893","0.0013","18.6003","0.0014","90","","90","","90","","8836.4","1.1","123","2","123","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C24 H38 Cl4 F12 N8 O5 Tm -","- C24 H38 Cl4 F12 N8 O5 Tm -","- C192 H304 Cl32 F96 N64 O40 Tm8 -","8","0.5","","Srivastava, Kriti; Weitz, Evan A.; Peterson, Katie L.; Marjańska, Małgorzata; Pierre, Valérie C","Fe- and Ln-DOTAm-F12 Are Effective Paramagnetic Fluorine Contrast Agents for MRI in Water and Blood.","Inorganic chemistry","2017","56","3","1546","1557","10.1021/acs.inorgchem.6b02631","","","1.54178","CuKα","","0.0711","0.0635","","","0.1853","0.1928","","","","","","1.083","","","","has coordinates","193452","2020-10-21","18:00:00",""
"4345512","17.056","0.004","16.624","0.004","17.063","0.004","90","","90","","90","","4838","2","427","2","427","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C60 Cd4 N36 P4 -","- C60 Cd4 N36 P4 -","- C120 Cd8 N72 P8 -","2","0.125","","Zhou, Lin; Zheng, Xuan; Shi, Ping-Ping; Zafar, Zainab; Ye, Heng-Yun; Fu, Da-Wei; Ye, Qiong","Switchable Nonlinear Optical and Tunable Luminescent Properties Triggered by Multiple Phase Transitions in a Perovskite-Like Compound.","Inorganic chemistry","2017","56","6","3238","3244","10.1021/acs.inorgchem.6b02508","","","0.71073","MoKα","","0.2103","0.2371","","","0.4338","0.4636","","","","","","1.137","","","","has coordinates","194808","2020-10-21","18:00:00",""
"4345879","23.3908","0.0018","16.0481","0.0013","21","0.002","90","","90","","90","","7882.9","1.2","100","2","100","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C64 H64 Cl4 Mn6 N12 O34 -","- C64 H62 Cl4 Mn6 N12 O34 -","- C256 H248 Cl16 Mn24 N48 O136 -","4","0.25","","Savva, Maria; Skordi, Katerina; Fournet, Adeline D.; Thuijs, Annaliese E.; Christou, George; Perlepes, Spyros P.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.","Heterometallic Mn(III)4Ln2 (Ln = Dy, Gd, Tb) Cross-Shaped Clusters and Their Homometallic Mn(III)4Mn(II)2 Analogues.","Inorganic chemistry","2017","56","10","5657","5668","10.1021/acs.inorgchem.7b00191","","","0.71073","MoKα","","0.0742","0.0653","","","0.1849","0.1927","","","","","","1.067","","","","has coordinates","197226","2020-10-21","18:00:00",""
"4346124","12.858","0.005","29.651","0.005","10.705","0.005","90","0.005","90","0.005","90","0.005","4081","3","115","2","115","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C6 H18 Cu4 I4 S3 -","- C6 H18 Cu4 I4 S3 -","- C48 H144 Cu32 I32 S24 -","8","0.5","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","","0.71073","MoKα","","0.0578","0.0558","","","0.1248","0.1256","","","","","","1.229","","","","has coordinates","231622","2020-10-21","18:00:00",""
"4346434","15.595","0.014","26.18","0.02","13.761","0.011","90","","90","","90","","5618","8","298","2","298","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C26 H34 B F4 Fe Ru S2 -","- C26 H34 B F4 Fe Ru S2 -","- C208 H272 B8 F32 Fe8 Ru8 S16 -","8","0.5","","Yang, Dawei; Li, Yang; Wang, Baomin; Zhao, Xiangyu; Su, Linan; Chen, Si; Tong, Peng; Luo, Yi; Qu, Jingping","Synthesis and Electrocatalytic Property of Diiron Hydride Complexes Derived from a Thiolate-Bridged Diiron Complex.","Inorganic chemistry","2015","54","21","10243","10249","10.1021/acs.inorgchem.5b01508","","","0.71073","MoKα","","0.1387","0.0861","","","0.1775","0.1933","","","","","","0.989","","","","has coordinates","231773","2020-10-21","18:00:00",""
"4346438","15.566","0.004","26.416","0.006","13.53","0.003","90","","90","","90","","5563","2","298","2","298","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C26 H34 B F4 Fe2 S2 -","- C26 H34 B F4 Fe2 S2 -","- C208 H272 B8 F32 Fe16 S16 -","8","0.5","","Yang, Dawei; Li, Yang; Wang, Baomin; Zhao, Xiangyu; Su, Linan; Chen, Si; Tong, Peng; Luo, Yi; Qu, Jingping","Synthesis and Electrocatalytic Property of Diiron Hydride Complexes Derived from a Thiolate-Bridged Diiron Complex.","Inorganic chemistry","2015","54","21","10243","10249","10.1021/acs.inorgchem.5b01508","","","0.71073","MoKα","","0.0614","0.0421","","","0.1309","0.1454","","","","","","1","","","","has coordinates,has disorder","231777","2020-10-21","18:00:00",""
"4347137","22.521","0.018","13.22","0.018","24.87","0.03","90","","90","","90","","7404","15","296","2","296","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C26 H38.4 Cu2 K N8 Na O16.2 -","- C26 H40.4 Cu2 K N8 Na O16.2 -","- C208 H323.2 Cu16 K8 N64 Na8 O129.6 -","8","0.5","","Fernandes, Tamires S.; Vilela, Ramon S.; Valdo, Ana K.; Martins, Felipe T.; García-España, Enrique; Inclán, Mario; Cano, Joan; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.; Cangussu, Danielle","Dicopper(II) Metallacyclophanes with N,N'-2,6-Pyridinebis(oxamate): Solution Study, Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2016","55","5","2390","2401","10.1021/acs.inorgchem.5b02786","","","0.71073","MoKα","","0.0828","0.0528","","","0.1155","0.1306","","","","","","1.017","","","","has coordinates,has disorder","232181","2020-10-21","18:00:00",""
"4347872","36.098","0.015","12.99","0.005","26.05","0.011","90","","90","","90","","12215","9","296","2","293","2","","","","","","","","9","C m c e","-C 2ac 2","64","","","","- C48 H128 Cl2 F42 N24 O16 P7 Pt8 Ru2 -","- C48 H128 Cl2 F42 N24 O16 P7 Pt8 Ru2 -","- C192 H512 Cl8 F168 N96 O64 P28 Pt32 Ru8 -","4","0.25","","Uemura, Kazuhiro; Uesugi, Naoyuki; Matsuyama, Akina; Ebihara, Masahiro; Yoshikawa, Hirofumi; Awaga, Kunio","Integration of Paramagnetic Diruthenium Complexes into an Extended Chain by Heterometallic Metal-Metal Bonds with Diplatinum Complexes.","Inorganic chemistry","2016","55","14","7003","7011","10.1021/acs.inorgchem.6b00741","","","0.7107","MoKα","","0.2253","0.1972","","","0.3459","0.3549","","","","","","1.909","","","","has coordinates","232554","2020-10-21","18:00:00",""
"4349112","7.2563","0.0003","10.1992","0.0005","17.8959","0.0007","90","","90","","90","","1324.45","0.1","250","1","250","1","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H3 Au2 F Fe N6 -","- C8 Au2 F Fe N6 -","- C32 Au8 F4 Fe4 N24 -","4","0.25","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio","Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.","Inorganic chemistry","2016","55","20","10654","10665","10.1021/acs.inorgchem.6b01901","","","0.71073","MoKα","","0.0439","0.0301","","","0.0689","0.079","","","","","","1.005","","","","has coordinates","233583","2020-10-21","18:00:00",""
"4349116","7.1107","0.001","10.1715","0.0013","17.657","0.002","90","","90","","90","","1277.1","0.3","120","1","120","1","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H3 Au2 F Fe N6 -","- C8 Au2 F Fe N6 -","- C32 Au8 F4 Fe4 N24 -","4","0.25","","Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio","Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine.","Inorganic chemistry","2016","55","20","10654","10665","10.1021/acs.inorgchem.6b01901","","","0.71073","MoKα","","0.0825","0.0516","","","0.0908","0.1097","","","","","","0.885","","","","has coordinates","233590","2020-10-21","18:00:00",""
"4349342","24.052","0.002","33.256","0.003","23.779","0.001","90","","90","","90","","19020","2","100","2","100","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C103.1 H1.4 Cl0.7 F54 N Y -","- C101 Cl0.7 F54 N Y -","- C808 Cl5.6 F432 N8 Y8 -","8","0.5","","Jin, Fei; Wang, Song; Yang, Shangfeng; Tamm, Nadezhda B.; Ioffe, Ilya N.; Troyanov, Sergey I.","Trifluoromethyl Derivatives of a Monometallic Cyanide Cluster Fullerene, YCN@C<sub>82</sub>(6)(CF<sub>3</sub>)<sub>16/18</sub>.","Inorganic chemistry","2016","55","24","12523","12526","10.1021/acs.inorgchem.6b02556","","","0.895","synchrotron","","0.1836","0.1191","","","0.2756","0.2898","","","","","","1.532","","","","has coordinates","233877","2020-10-21","18:00:00",""
"4349514","19.39","0.1","15.81","0.1","17.9","0.1","90","","90","","90","","5487","5","293","2","","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C22 B8.08 O194.64 Si87.92 -","- C16 B8 O196.96 Si88 -","- C16 B8 O196.96 Si88 -","1","0.0625","","Guo, Peng; Strohmaier, Karl; Vroman, Hilda; Afeworki, Mobae; Ravikovitch, Peter I.; Paur, Charanjit S.; Sun, Junliang; Burton, Allen; Zou, Xiaodong","Accurate structure determination of a borosilicate zeolite EMM-26 with two-dimensional 10 ×10 ring channels using rotation electron diffraction","Inorganic Chemistry Frontiers","2016","3","11","1444","","10.1039/C6QI00262E","","","0.0251","Electrons","","0.2187","0.1456","","","0.3396","0.3667","","","","","","0.956","","","","has coordinates","234843","2020-10-21","18:00:00",""
"4349515","19.3918","0.0002","15.7008","0.0001","17.7673","0.0001","90","","90","","90","","5409.55","0.07","100","","100","","","","","","","","","6","C m c e","-C 2ac 2","64","as_made_EMM-26","","","- C8.61 H17.75 B N1.08 O24.13 Si11 -","- C8.5984 H18.0029 B1.0004 N1.0748 O24.132 Si10.9994 -","- C68.7872 H144.023 B8.0032 N8.5984 O193.056 Si87.9952 -","8","0.5","","Guo, Peng; Strohmaier, Karl; Vroman, Hilda; Afeworki, Mobae; Ravikovitch, Peter I.; Paur, Charanjit S.; Sun, Junliang; Burton, Allen; Zou, Xiaodong","Accurate structure determination of a borosilicate zeolite EMM-26 with two-dimensional 10 ×10 ring channels using rotation electron diffraction","Inorganic Chemistry Frontiers","2016","3","11","1444","","10.1039/C6QI00262E","powder diffraction","x-ray","0.4009","synchrotron","","","","","","","","","0.03","3.602","","","","","","","has coordinates","234845","2020-10-21","18:00:00",""
"4349731","7.5775","0.0015","33.673","0.007","7.65","0.0015","90","","90","","90","","1952","0.7","298","2","298","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C10 H28 Cd Cl4 N2 -","- C10 H28 Cd Cl4 N2 -","- C40 H112 Cd4 Cl16 N8 -","4","0.25","","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","","0.0597","0.048","","","0.1205","0.1262","","","","","","1.132","","","","has coordinates","235774","2020-10-21","18:00:00",""
"4349732","8.0554","0.001","33.2382","0.0009","8.0623","0.0005","90","","90","","90","","2158.7","0.3","298","2","298","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C10 H28 Br4 Cd N2 -","- C10 H28 Br4 Cd N2 -","- C40 H112 Br16 Cd4 N8 -","4","0.25","","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","","0.1449","0.1074","","","0.2686","0.3026","","","","","","1.127","","","","has coordinates","235774","2020-10-21","18:00:00",""
"4349767","8.5157","0.0017","14.75","0.003","4.2511","0.0009","90","","90","","90","","533.97","0.19","293","2","293","2","","","","","","","","3","C m c e","-C 2ac 2","64","Ce2PtGe3","","","- Ce2 Ge3.09 Pt0.91 -","- Ce2 Ge3.092 Pt0.908 -","- Ce8 Ge12.368 Pt3.632 -","4","0.25","","Sarkar, Sumanta; Roy, Soumyabrata; Kalsi, Deepti; Peter, Sebastian C.","Ce2PtGe3: a new ordered orthorhombic superstructure in the AlB2family with spin glass behavior","Inorganic Chemistry Frontiers","2017","4","12","2097","","10.1039/C7QI00416H","","","0.71073","MoKα","","0.099","0.0316","","","0.0755","0.1098","","","","","","0.832","","","","has coordinates","235812","2020-10-21","18:00:00",""
"4349989","59.7742","0.0015","29.104","0.0006","13.6375","0.0005","90","","90","","90","","23724.7","1.2","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C216 H160 Cu12 N8 O64 -","- C216 H160 Cu12 N8 O64 -","- C432 H320 Cu24 N16 O128 -","2","0.125","","Wang, Xia; Zhang, Xiurong; Zhang, Kai; Wang, Xiaokang; Wang, Yutong; Fan, Weidong; Dai, Fangna","Amino-functionalized Cu-MOF for efficient purification of methane from light hydrocarbons and excellent catalytic performance","Inorganic Chemistry Frontiers","2019","6","5","1152","","10.1039/C8QI01404C","","","1.54178","CuKα","","0.1219","0.093","","","0.2668","0.2955","","","","","","0.953","","","","has coordinates","237005","2020-10-21","18:00:00",""
"4508952","8.9195","0.0018","11.019","0.002","10.642","0.002","90","","90","","90","","1045.9","0.3","173","2","173","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C8 H14 Br2 N2 -","- C8 H14 Br2 N2 -","- C32 H56 Br8 N8 -","4","0.25","","Lu, Jianjiang; Kochi, Jay K.","Charge-Modulated Associates of Anionic Donors with Cationic π-Acceptors: Crystal Structures of Ternary Synthons Leading to Molecular Wires","Crystal Growth & Design","2009","9","1","291","","10.1021/cg800465e","","","0.71073","MoKα","","0.0252","0.0222","","","0.0589","0.0612","","","","","","0.884","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4508954","9.274","0.01","11.635","0.015","11.047","0.009","90","","90","","90","","1192","2","173","2","173","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C8 H14 I2 N2 -","- C8 H14 I2 N2 -","- C32 H56 I8 N8 -","4","0.25","","Lu, Jianjiang; Kochi, Jay K.","Charge-Modulated Associates of Anionic Donors with Cationic π-Acceptors: Crystal Structures of Ternary Synthons Leading to Molecular Wires","Crystal Growth & Design","2009","9","1","291","","10.1021/cg800465e","","","0.71073","MoKα","","0.0438","0.0324","","","0.0694","0.0762","","","","","","1.014","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4511285","7.1589","0.0001","4.6915","0.0001","9.8014","0.0001","90","","90","","90","","329.19","0.009","100","2","100","2","","","","","","","","1","C m c e","-C 2ac 2","64","","","","- I2 -","- I2 -","- I8 -","4","0.25","","Bertolotti, Federica; Shishkina, Anastasia V.; Forni, Alessandra; Gervasio, Giuliana; Stash, Adam I.; Tsirelson, Vladimir G.","Intermolecular Bonding Features in Solid Iodine","Crystal Growth & Design","2014","14","7","3587","","10.1021/cg5005159","","","0.71073","MoKα","","0.022","0.0135","","","","0.0257","0.0172","","","","","1.04","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4517086","27.122","0.004","11.1223","0.0015","13.543","0.0018","90","","90","","90","","4085.4","1","100","2","100","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C36 H32 Cu2 N6 O18 U -","- C36 H28 Cu2 N6 O18 U -","- C144 H112 Cu8 N24 O72 U4 -","4","0.25","","Kerr, Andrew T.; Cahill, Christopher L.","Postsynthetic Rearrangement/Metalation as a Route to Bimetallic Uranyl Coordination Polymers: Syntheses, Structures, and Luminescence","Crystal Growth & Design","2014","14","4","1914","","10.1021/cg500050q","","x-ray","0.71073","MoKα","","0.0666","0.0364","","","0.091","0.1057","","","","","","0.987","","","","has coordinates,has disorder","239735","2020-10-21","18:00:00",""
"4517510","7.461","0.0007","23.412","0.002","7.5566","0.0007","90","","90","","90","","1320","0.2","340","2","340.01","","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C4 H12 Cd Cl4 F4 N2 -","- C4 H12 Cd Cl4 F4 N2 -","- C16 H48 Cd4 Cl16 F16 N8 -","4","0.25","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi","Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4]","ACS Omega","2020","5","12","6773","6780","10.1021/acsomega.0c00113","","","0.71073","MoKα","","0.0606","0.053","","","0.1347","0.1423","","","","","","1.207","","","","has coordinates","257077","2020-10-21","18:00:00",""
"4517511","7.4525","0.0007","21.842","0.002","7.5766","0.0006","90","","90","","90","","1233.3","0.19","300","","300","","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C H1.5 Cd0.25 Cl F0.5 N0.5 -","- C H1.5 Cd0.25 Cl F0.5 N0.5 -","- C16 H24 Cd4 Cl16 F8 N8 -","16","1","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi","Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4]","ACS Omega","2020","5","12","6773","6780","10.1021/acsomega.0c00113","","","0.71073","MoKα","","0.0328","0.0314","","","0.0859","0.0872","","","","","","1.082","","","","has coordinates","257077","2020-10-21","18:00:00",""
"4517790","8.8397","0.0007","19.7094","0.0018","8.4762","0.0006","90","","90","","90","","1476.8","0.2","296","2","296","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C H5 I2 N Pb -","- C H5 I2 N Pb -","- C8 H40 I16 N8 Pb8 -","8","0.5","","Febriansyah, Benny; Koh, Teck Ming; Rana, Prem Jyoti Singh; Hooper, Thomas J. N.; Ang, Zhi Zhong; Li, Yongxin; Bruno, Annalisa; Grätzel, Michael; England, Jason; Mhaisalkar, Subodh G.; Mathews, Nripan","Hybrid 2D [Pb(CH3NH2)I2]n Coordination Polymer Precursor for Scalable Perovskite Deposition","ACS Energy Letters","2020","","","2305","2312","10.1021/acsenergylett.0c00781","","","0.71073","MoKα","","0.0685","0.0382","","","0.0673","0.0769","","","","","","1.036","","","","has coordinates","257084","2020-10-21","18:00:00",""
"4517791","8.7746","0.0005","19.2817","0.0012","8.4744","0.0005","90","","90","","90","","1433.78","0.15","100","2","100","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C H5 I2 N Pb -","- C H5 I2 N Pb -","- C8 H40 I16 N8 Pb8 -","8","0.5","","Febriansyah, Benny; Koh, Teck Ming; Rana, Prem Jyoti Singh; Hooper, Thomas J. N.; Ang, Zhi Zhong; Li, Yongxin; Bruno, Annalisa; Grätzel, Michael; England, Jason; Mhaisalkar, Subodh G.; Mathews, Nripan","Hybrid 2D [Pb(CH3NH2)I2]n Coordination Polymer Precursor for Scalable Perovskite Deposition","ACS Energy Letters","2020","","","2305","2312","10.1021/acsenergylett.0c00781","","","0.71073","MoKα","","0.029","0.0249","","","0.0506","0.0523","","","","","","1.095","","","","has coordinates","257084","2020-10-21","18:00:00",""
"4518649","33.332","0.002","10.0131","0.0007","24.7047","0.0014","90","","90","","90","","8245.4","0.9","296","2","296","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C16 H8 Cs4 N20 O26 -","- C16 H8 Cs4 N20 O26 -","- C128 H64 Cs32 N160 O208 -","8","0.5","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming","Oxygen-Enriched Metal‒Organic Frameworks Based on 1-(Trinitromethyl)-1H-1,2,4-Triazole-3-Carboxylic Acid and Their Thermal Decomposition and Effects on the Decomposition of Ammonium Perchlorate","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c03110","","","0.71073","MoKα","","0.0653","0.0427","","","0.102","0.1109","","","","","","1.066","","","","has coordinates,has disorder","264732","2021-04-30","21:27:59",""
"4518696","37.1792","0.0017","23.4037","0.0012","7.155","0.0002","90","","90","","90","","6225.8","0.5","293","2","293","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C16 H10 In2 O14 -","- C16 H10 In2 O14 -","- C128 H80 In16 O112 -","8","0.5","","Lei, Jiao; Wang, Bingqiang; Li, Yong-Peng; Ji, Wen-Juan; Wang, Ke; Qi, Honglan; Chou, Pi-Tai; Zhang, Miao-Miao; Bian, Hongtao; Zhai, Quan-Guo","A New Molecular Recognition Concept: Multiple Hydrogen Bonds and Their Optically Triggered Proton Transfer in Confined Metal-Organic Frameworks for Superior Sensing Element.","ACS applied materials & interfaces","2021","13","19","22457","22465","10.1021/acsami.1c03410","","","1.54178","CuKα","","0.0403","0.0344","","","0.0781","0.0798","","","","","","1.052","","","","has coordinates","265743","2021-06-04","00:56:21",""
"4518988","19.181","0.0006","12.4038","0.0004","22.3606","0.0008","90","","90","","90","","5320","0.3","93","2","93","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C24 H45 Fe N O P2 S -","- C24 H45 Fe N O P2 S -","- C192 H360 Fe8 N8 O8 P16 S8 -","8","0.5","","Townsend, Tanya M.; Bernskoetter, Wesley H.; Hazari, Nilay; Mercado, Brandon Q.","Dehydrogenative Synthesis of Carbamates from Formamides and Alcohols Using a Pincer-Supported Iron Catalyst","ACS Catalysis","2021","11","16","10614","10624","10.1021/acscatal.1c02718","","","0.71073","MoKα","","0.0255","0.0234","","","0.0598","0.0607","","","","","","1.066","","","","has coordinates","268417","2021-09-03","19:42:40",""
"4519013","10.5371","0.0005","23.5057","0.0012","14.5393","0.0007","90","","90","","90","","3601.1","0.3","273","2","273","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C32 H38 F6 Fe2 N O4 S2 -","- C32 H38 F6 Fe2 N O4 S2 -","- C128 H152 F24 Fe8 N4 O16 S8 -","4","0.25","","Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki","Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion.","ACS omega","2021","6","32","21139","21146","10.1021/acsomega.1c03059","","","0.71073","MoKα","","0.0702","0.0634","","","0.1945","0.2055","","","","","","1.057","","","","has coordinates","268438","2021-09-03","20:27:02",""
"4519336","18.7305","0.0007","14.4274","0.0007","17.8945","0.0007","90","","90","","90","","4835.7","0.4","150","0.1","150","0.1","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C25 H36 Fe N2 Si -","- C25 H36 Fe N2 Si -","- C200 H288 Fe8 N16 Si8 -","8","0.5","","Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L.","Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes","ACS Catalysis","2022","","","2979","2985","10.1021/acscatal.2c00224","","x-ray","1.54184","CuKα","","0.0433","0.0419","","","0.1149","0.1161","","","","","","1.107","","","","has coordinates,has disorder","273246","2022-03-03","20:25:20",""
"4519456","13.5615","0.0004","14.2021","0.0004","14.7328","0.0004","90","","90","","90","","2837.56","0.14","150","","150","","","","","","","","","4","C m c e","-C 2ac 2","64","Paraquat Diiodide","1,1'-dimethyl-4,4'-bipyridin-1-ium bis(iodide)","","- C12 H14 I2 N2 -","- C12 H14 I2 N2 -","- C96 H112 I16 N16 -","8","0.5","","Abdel Rahman Al Ahmad; Thierry Maris; Christian Pellerin; James D. Wuest","Adding a Pinch of Salt: Using Ionic Mixed-Crystal Seeds to Search for New Solid Forms","Crystal Growth & Design","2023","23","","7472","7481","10.1021/acs.cgd.3c00884","","x-ray","1.34139","GaKα","","0.0293","0.028","","","0.0736","0.0747","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","287205","2023-11-01","18:51:29",""
"7036763","7.29","0.005","16.889","0.012","15.688","0.012","90","","90","","90","","1932","2","130","2","130","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C18 H24 F2 N2 Si2 -","- C18 H24 F2 N2 Si2 -","- C72 H96 F8 N8 Si8 -","4","0.25","","Kano, Naokazu; Yamamura, Masaki; Kawashima, Takayuki","2,2'-Disilylazobenzenes featuring double intramolecular nitrogensilicon coordination: a photoisomerizable fluorophore.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16256","16265","10.1039/c5dt02038g","","","0.7107","MoKα","","0.0578","0.0473","","","0.1207","0.1286","","","","","","1.117","","","","has coordinates","206165","2020-10-21","18:00:00",""
"7037291","21.5592","0.0002","7.97338","0.00008","28.7174","0.0003","90","","90","","90","","4936.51","0.08","100","0.1","100","0.1","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C23.5 H27 Cl3 Si3 -","- C21 H21 Cl3 Si3 -","- C168 H168 Cl24 Si24 -","8","0.5","","Weisheim, Eugen; Bücker, Lisa; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tridentate Lewis acids with phenyl substituted 1,3,5-trisilacyclohexane backbones.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","198","207","10.1039/c5dt04208a","","x-ray","1.54184","CuKα","","0.0315","0.0294","","","0.0826","0.0842","","","","","","1.08","","","","has coordinates","206165","2020-10-21","18:00:00",""
"7037577","28.12","0.03","8.312","0.008","8.309","0.007","90","","90","","90","","1942","3","393","2","393","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C8 H24 Br4 N2 Pb -","- C8 H24 Br4 N2 Pb -","- C32 H96 Br16 N8 Pb4 -","4","0.25","","Wang, Zhong-Xia; Liao, Wei-Qiang; Ye, Heng-Yun; Zhang, Yi","Sequential structural transitions with distinct dielectric responses in a layered perovskite organic-inorganic hybrid material: [C4H9N]2[PbBr4].","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20406","20412","10.1039/c5dt03277f","","","0.71073","MoKα","","0.0862","0.0588","","","0.1209","0.1354","","","","","","1.101","","","","has coordinates","206165","2020-10-21","18:00:00",""
"7043370","6.6379","0.0005","16.5198","0.0014","9.1359","0.0007","90","","90","","90","","1001.81","0.14","298","2","298","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C2 H10 Mg N8 O6 -","- C2 H10 Mg N8 O6 -","- C8 H40 Mg4 N32 O24 -","4","0.25","","He, Piao; Wu, Le; Wu, Jin-Ting; Yin, Xin; Gozin, Michael; Zhang, Jian-Guo","Alkali and alkaline earth metal salts of tetrazolone: structurally interesting and excellently thermostable","Dalton Trans.","2017","","","","","10.1039/C7DT01179B","","","0.71073","MoKα","","0.055","0.0501","","","0.1354","0.1401","","","","","","1.109","","","","has coordinates,has disorder","197905","2020-10-21","18:00:00",""
"7043538","8.5058","0.0017","8.1356","0.0017","20.999","0.004","90","","90","","90","","1453.1","0.5","200","2","200","2","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- Al0.63 Ge6 Nd2 -","- Al0.587 Ge6 Nd2 -","- Al4.696 Ge48 Nd16 -","8","0.5","","Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen","On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations","Dalton Trans.","2017","","","","","10.1039/C7DT01977G","","","0.71073","MoKα","","0.0452","0.0234","","","0.0551","0.0654","","","","","","1.024","","","","has coordinates","198573","2020-10-21","18:00:00",""
"7049965","17.633","0.003","19.164","0.003","17.699","0.003","90","","90","","90","","5980.8","1.7","173","","173","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C29.5 H41 Au N3 O2 -","- C29.5 H41 Au N3 O2 -","- C236 H328 Au8 N24 O16 -","8","0.5","","Veenboer, Richard M. P.; Azofra, Luis Miguel; Gasperini, Danila; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Cavallo, Luigi; Nolan, Steven P.","Regression analysis of properties of [Au(IPr)(CHR<sub>2</sub>)] complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7693","7703","10.1039/c9dt00841a","","","0.71075","MoKα","","0.0239","0.0207","","","0.0623","0.0639","","","","","","1.077","","","","has coordinates","223829","2020-10-21","18:00:00",""
"7058985","35.4231","0.0018","27.2363","0.0018","23.8741","0.0013","90","","90","","90","","23034","2","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C50 H28 Cd3 N2 O16 -","- C50 H28 Cd3 N2 O16 -","- C400 H224 Cd24 N16 O128 -","8","0.5","","Wang, Qi; Liu, Da Jun; Cui, Li Li; Hu, Xiao-Li; Wang, Xin-Long; Su, Zhong-Min","A 3D pillared-layer metal‒organic framework with fluorescence property for detection of nitroaromatic explosives","New Journal of Chemistry","2019","43","2","963","","10.1039/C8NJ05276J","","x-ray","0.71073","MoKα","","0.0688","0.0389","","","0.1129","0.1293","","","","","","1.015","","","","has coordinates","223415","2020-10-21","18:00:00",""
"7059003","6.5388","0.0007","18.888","0.002","15.6064","0.0018","90","","90","","90","","1927.5","0.4","150","2","150","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C10 H8 N4 O2 -","- C10 H8 N4 O2 -","- C80 H64 N32 O16 -","8","0.5","","Eddahmi, Mohammed; Moura, Nuno M. M.; Bouissane, Latifa; Gamouh, Ahmed; Faustino, Maria A. F.; Cavaleiro, José A. S.; Paz, Filipe A. A.; Mendes, Ricardo F.; Lodeiro, Carlos; Santos, Sérgio M.; Neves, Maria G. P. M. S.; Rakib, El Mostapha","New nitroindazolylacetonitriles: efficient synthetic access via vicarious nucleophilic substitution and tautomeric switching mediated by anions","New Journal of Chemistry","2019","43","36","14355","","10.1039/C9NJ02807B","","","0.71073","MoKα","","0.0362","0.034","","","0.0896","0.0919","","","","","","1.059","","","","has coordinates","223418","2020-10-21","18:00:00",""
"7059104","9.325","0.0008","18.8767","0.0015","17.497","0.002","90","","90","","90","","3079.9","0.5","100","2","100","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C9 H22 N2 O3 Pt S2 -","- C9 H22 N2 O3 Pt S2 -","- C72 H176 N16 O24 Pt8 S16 -","8","0.5","","Bolotin, Dmitrii S.; Demakova, Marina Ya.; Legin, Anton A.; Suslonov, Vitaliy V.; Nazarov, Alexey A.; Jakupec, Michael A.; Keppler, Bernhard K.; Kukushkin, Vadim Yu.","Amidoxime platinum(ii) complexes: pH-dependent highly selective generation and cytotoxic activity","New Journal of Chemistry","2017","41","14","6840","","10.1039/C7NJ00982H","","","0.71073","MoKα","","0.0282","0.0245","","","0.0598","0.0616","","","","","","1.124","","","","has coordinates","235707","2020-10-21","18:00:00",""
"7059330","32.023","0.003","22.025","0.002","28.035","0.003","90","","90","","90","","19773","3","223","2","222.98","","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C112 H146 Cl16 N66 Na2 O45 Zn4 -","- C112 H114 Cl16 N65.5 Na2 O40 Zn4 -","- C448 H456 Cl64 N262 Na8 O160 Zn16 -","4","0.25","","Xu, Weitao; Deng, Xinyu; Xiao, Xin; Bian, Bing; Chen, Qing; Dalgarno, Scott J.; Tao, Zhu; Redshaw, Carl","Supramolecular assemblies controlled by cucurbit[n]uril size (n = 6, 7, 8 and 10)","New Journal of Chemistry","2020","44","11","4311","4318","10.1039/D0NJ00087F","","","0.71073","MoKα","","0.0989","0.0845","","","0.2562","0.2777","","","","","","1.021","","","","has coordinates,has disorder","257892","2020-10-21","18:00:00",""
"7061409","13.7449","0.0017","20.8323","0.0017","15.1571","0.0015","90","","90","","90","","4340.1","0.8","273.15","","273.15","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C18 H13 Cd N5 O4 -","- C18 H13 Cd N5 O4 -","- C144 H104 Cd8 N40 O32 -","8","0.5","","Debnath, Rakesh; Bhowmick, Rahul; Ghosh, Pameli; Biswas, Saptarshi; Koner, Subratanath","Selective luminescent sensing of metal ions and nitroaromatics over a porous mixed-linker cadmium(ii) based metal–organic framework","New Journal of Chemistry","2022","46","18","8523","8533","10.1039/D1NJ04025A","","","0.71073","MoKα","","0.0554","0.0501","","","0.1678","0.1798","","","","","","1.093","","","","has coordinates","275802","2022-06-06","01:55:31",""
"7062701","15.0905","0.001","18.1837","0.0009","28.8807","0.0013","90","","90","","90","","7924.9","0.7","100.15","","100.15","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C28 H21 Cd N5 O4 -","- C28 H21 Cd N5 O4 -","- C224 H168 Cd8 N40 O32 -","8","0.5","","Manna, Priyanka; Hasija, Avantika; Chopra, Deepak; Mahata, Partha","Selective dye sorption and metal ion sensing behaviours of a new Cd-based MOF","New Journal of Chemistry","2023","47","43","19846","19855","10.1039/D3NJ03179A","","","0.71073","MoKα","","0.0971","0.0875","","","0.1996","0.2046","","","","","","1.104","","","","has coordinates","288833","2024-01-06","08:43:08",""
"7100674","17.5472","0.0014","18.0516","0.0015","35.56","0.003","90","","90","","90","","11263.9","1.6","150","2","150","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C6 H13.4 Al4 N2 O20.2 P5 -","- Al4 O20.7 P5 -","- Al64 O331.2 P80 -","16","1","","Parnham, Emily R.; Wheatley, Paul S.; Morris, Russell E.","The ionothermal synthesis of SIZ-6 ‒ a layered aluminophosphate","Chemical Communications","2006","","4","380","382","10.1039/b513458g","","","","","","","","","","","","","","","","","","","","","has coordinates","206165","2020-10-21","18:00:00",""
"7118554","35.3299","0.0016","22.8072","0.001","22.7035","0.001","90","","90","","90","","18293.9","1.4","120","2","120","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C144 H112 Gd6 N18 Ni6 O44 -","- C144 H84 Gd6 N18 Ni6 O44 -","- C576 H336 Gd24 N72 Ni24 O176 -","4","0.25","","Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Lorusso, Giulia; Evangelisti, Marco; Tang, Jinkui; Stamatatos, Theocharis C.","Dodecanuclear 3d/4f-metal clusters with a 'Star of David' topology: single-molecule magnetism and magnetocaloric properties.","Chemical communications (Cambridge, England)","2016","52","8","1693","1696","10.1039/c5cc09385f","","","0.71073","MoKα","","0.1003","0.0575","","","0.1531","0.1992","","","","","","1.043","","","","has coordinates","206165","2020-10-21","18:00:00",""
"7118555","35.809","0.002","22.7395","0.0015","23.0503","0.0014","90","","90","","90","","18769","2","120","2","120","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C132 H112 Gd6 N15 O48 Zn6 -","- C132 H90 Gd6 N12 O50 Zn6 -","- C528 H360 Gd24 N48 O200 Zn24 -","4","0.25","","Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Lorusso, Giulia; Evangelisti, Marco; Tang, Jinkui; Stamatatos, Theocharis C.","Dodecanuclear 3d/4f-metal clusters with a 'Star of David' topology: single-molecule magnetism and magnetocaloric properties.","Chemical communications (Cambridge, England)","2016","52","8","1693","1696","10.1039/c5cc09385f","","","0.71073","MoKα","","0.0771","0.0545","","","0.1513","0.1756","","","","","","0.93","","","","has coordinates","206165","2020-10-21","18:00:00",""
"7118556","35.395","0.0019","22.7777","0.0015","22.9329","0.0018","90","","90","","90","","18489","2","150","2","150","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C128 H104 Dy6 N10 O52 Zn6 -","- C128 H84 Dy6 N10 O52 Zn6 -","- C512 H336 Dy24 N40 O208 Zn24 -","4","0.25","","Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Lorusso, Giulia; Evangelisti, Marco; Tang, Jinkui; Stamatatos, Theocharis C.","Dodecanuclear 3d/4f-metal clusters with a 'Star of David' topology: single-molecule magnetism and magnetocaloric properties.","Chemical communications (Cambridge, England)","2016","52","8","1693","1696","10.1039/c5cc09385f","","","0.71073","MoKα","","0.0621","0.0498","","","0.13","0.1486","","","","","","0.919","","","","has coordinates","206165","2020-10-21","18:00:00",""
"7118557","35.887","0.003","22.5851","0.0017","23.2338","0.0017","90","","90","","90","","18831","3","120","2","120","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C128 H104 Dy6 N14 Ni6 O52 -","- C128 H84 Dy6 N10 Ni6 O52 -","- C512 H336 Dy24 N40 Ni24 O208 -","4","0.25","","Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Lorusso, Giulia; Evangelisti, Marco; Tang, Jinkui; Stamatatos, Theocharis C.","Dodecanuclear 3d/4f-metal clusters with a 'Star of David' topology: single-molecule magnetism and magnetocaloric properties.","Chemical communications (Cambridge, England)","2016","52","8","1693","1696","10.1039/c5cc09385f","","","0.71073","MoKα","","0.0958","0.0731","","","0.1852","0.2004","","","","","","1.085","","","","has coordinates","206165","2020-10-21","18:00:00",""
"7122655","7.5125","0.0003","5.8369","0.0002","19.3089","0.0007","90","","90","","90","","846.69","0.05","120","0.1","120","0.1","","","","","","","","3","C m c e","-C 2ac 2","64","","Trifluoroiodomethane","","- C F3 I -","- C F3 I -","- C8 F24 I8 -","8","0.5","","Bujak, Maciej; Stammler, Georg; Blomeyer, Sebastian; Mitzel, Norbert Werner","The Nature of Interactions of Benzene with CF3I and CF3CH2I","Chemical Communications","2018","","","","","10.1039/C8CC08980A","","","0.71073","MoKα","","0.0385","0.0383","","","0.0892","0.0893","","","","","","1.096","","","","has coordinates,has disorder","212233","2020-10-21","18:00:00",""
"7125314","10.924","0.004","15.753","0.007","27.04","0.009","90","","90","","90","","4653","3","103","2","103","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C54 H66 B2 N4 O4 -","- C54 H66 B2 N4 O4 -","- C216 H264 B8 N16 O16 -","4","0.25","","Böhnke, Julian; Braunschweig, Holger; Deißenberger, Andrea; Dellermann, Theresa; Dewhurst, Rian D.; Jiménez-Halla, J Oscar C; Kachel, Stephanie; Kelch, Hauke; Prieschl, Dominic","Alkylideneborate zwitterions and C-C coupling by atypical diboration of electron-rich alkynes.","Chemical communications (Cambridge, England)","2017","53","89","12132","12135","10.1039/c7cc07409c","","","0.71073","MoKα","","0.0629","0.0456","","","0.1041","0.1123","","","","","","1.025","","","","has coordinates","235599","2020-10-21","18:00:00",""
"7125327","25.9634","0.0018","17.706","0.0013","29.773","0.002","90","","90","","90","","13686.9","1.7","100","2","100","2","","","","","","","","7","C m c e","-C 2ac 2","64","","PTBCo(Br)(NCMe)2(NEt4)","","- C70 H93 B2 Br Co N8 P2 -","- C70 H96 B2 Br Co N8 P2 -","- C560 H768 B16 Br8 Co8 N64 P16 -","8","0.5","","Drover, Marcus W.; Nagata, Koichi; Peters, Jonas C.","Fusing triphenylphosphine with tetraphenylborate: introducing the 9-phosphatriptycene-10-phenylborate (PTB) anion.","Chemical communications (Cambridge, England)","2018","54","57","7916","7919","10.1039/c8cc04321c","","","1.54178","CuKα","","0.23","0.173","","","0.4104","0.457","","","","","","1.053","","","","has coordinates,has disorder","236762","2020-10-21","18:00:00",""
"7125351","16.172","0.002","15.6943","0.0017","16.8867","0.0018","90","","90","","90","","4286","0.8","373","2","373","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C14 H18 Cd F N9 P -","- C14 H18 Cd F N9 P -","- C112 H144 Cd8 F8 N72 P8 -","8","0.5","","Zhao, Meng-Meng; Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Chen, Xiao-Gang; Gao, Ji-Xing; Geng, Fu-Juan; Ye, Qiong; Fu, Da-Wei","Halogen substitution effects on optical and electrical properties in 3D molecular perovskites.","Chemical communications (Cambridge, England)","2018","54","94","13275","13278","10.1039/c8cc07052k","","","0.71073","MoKα","","0.2682","0.147","","","0.3692","0.4619","","","","","","0.884","","","","has coordinates","236773","2020-10-21","18:00:00",""
"7125365","39.9","0.011","9.539","0.003","26.857","0.008","90","","90","","90","","10222","5","153","2","153","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C108 H140 F24 N4 O8 P4 -","- C76 H60 F24 N4 P4 -","- C304 H240 F96 N16 P16 -","4","0.25","","Cheng, Lin; Zhang, Haiyang; Dong, Yunhong; Zhao, Yanxia; Yu, Yang; Cao, Liping","Tetraphenylethene-based tetracationic cyclophanes and their selective recognition for amino acids and adenosine derivatives in water.","Chemical communications (Cambridge, England)","2019","55","16","2372","2375","10.1039/c9cc00599d","","","0.71073","MoKα","","0.09","0.0729","","","0.2589","0.275","","","","","","1.125","","","","has coordinates,has disorder","237827","2020-10-21","18:00:00",""
"7125528","12.5745","0.0002","12.3972","0.0002","14.2861","0.0002","90","","90","","90","","2227.04","0.06","223","5","223","5","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H12 Ag F3 N2 O2 -","- C8 H12 Ag F3 N2 O2 -","- C64 H96 Ag8 F24 N16 O16 -","8","0.5","","Brammer, L.; Burgard, M. D.; Rodger, C. S.; Swearingen, J. K.; Rath, N. P.","Silver(I) carboxylates: versatile inorganic analogs of carboxylic acids for supramolecular network formation.","Chemical communications (Cambridge, England)","2001","","23","2468","2469","10.1039/b108448h","","","0.71073","MoKα","","0.0395","0.0367","","","0.0912","0.0929","","","","","","1.123","","","","has coordinates","243987","2020-10-21","18:00:00",""
"7125750","6.4586","0.0005","24.9625","0.0012","17.2461","0.0007","90","","90","","90","","2780.5","0.3","100","2","100","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C14 H17 Cl N4 -","- C14 H16.5 Cl N4 -","- C112 H132 Cl8 N32 -","8","0.5","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0918","0.0512","","","0.1056","0.1231","","","","","","1.058","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7127275","20.155","0.0015","4.7512","0.0004","26.999","0.002","90","","90","","90","","2585.4","0.3","100","2","100","2","","","","","","","","2","C m c e","-C 2ac 2","64","","","","- C9.75 H7.75 -","- C9 H6 -","- C144 H96 -","16","1","","Jiménez, Vicente G; Mayorga-Burrezo, Paula; Blanco, Victor; Lloveras, Vega; Gómez-García, Carlos J; Šolomek, Tomáš; Cuerva, Juan M.; Veciana, Jaume; Campaña, Araceli G","Dibenzocycloheptatriene as end-group of Thiele and tetrabenzo-Chichibabin hydrocarbons.","Chemical communications (Cambridge, England)","2020","56","84","12813","12816","10.1039/d0cc04489j","","","0.71073","MoKα","","0.0437","0.0392","","","0.1015","0.1044","","","","","","1.089","","","","has coordinates","260689","2021-01-07","04:53:44",""
"7127480","47.491","0.002","18.5114","0.001","27.2738","0.0013","90","","90","","90","","23977","2","100","","100","","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C112 H72.53 Cd3 Cl1.47 N24 O0.53 -","- C112 H72.53 Cd3 Cl1.47 N24 O0.53 -","- C896 H580.24 Cd24 Cl11.76 N192 O4.24 -","8","0.5","","Huang, Qing; Niu, Qian; Ma, Na-Na; Dong, Long-Zhang; Li, Shun-Li; Li, Dong-Sheng; Cai, Yue-Peng; Lan, Ya-Qian","Axial Cl/Br atom-mediated CO<sub>2</sub> electroreduction performance in a stable porphyrin-based metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","94","14817","14820","10.1039/d0cc06092e","","","0.77485","synchrotron","","0.125","0.0895","","","0.1785","0.1919","","","","","","1.076","","","","has coordinates,has disorder","259380","2020-12-01","02:03:48",""
"7127481","47.7736","0.0013","18.5513","0.0005","27.2877","0.0008","90","","90","","90","","24184.1","1.2","100","","100","","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C112 H74.8 Br1.2 Cd3 N24 O0.8 -","- C112 H74.799 Br1.201 Cd3 N24 O0.799 -","- C896 H598.392 Br9.608 Cd24 N192 O6.392 -","8","0.5","","Huang, Qing; Niu, Qian; Ma, Na-Na; Dong, Long-Zhang; Li, Shun-Li; Li, Dong-Sheng; Cai, Yue-Peng; Lan, Ya-Qian","Axial Cl/Br atom-mediated CO<sub>2</sub> electroreduction performance in a stable porphyrin-based metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","94","14817","14820","10.1039/d0cc06092e","","","0.77485","synchrotron","","0.067","0.0625","","","0.1729","0.1785","","","","","","1.04","","","","has coordinates,has disorder","259380","2020-12-01","02:03:49",""
"7127696","17.594","0.003","28.869","0.006","26.289","0.005","90","","90","","90","","13353","4","173","2","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C67 H56 F18 Hf7 O24 P8 -","- C67 H56 F18 Hf7 O24 P8 -","- C268 H224 F72 Hf28 O96 P32 -","4","0.25","","Huang, Yan; Zhou, Fan; Feng, Jianshen; Zhao, Hongxia; Qi, Chao; Ji, Jinyan; Bao, Songsong; Zheng, Tao","An ultra-stable hafnium phosphonate MOF platform for comparing the proton conductivity of various guest molecules/ions.","Chemical communications (Cambridge, England)","2021","57","10","1238","1241","10.1039/d0cc07375j","","","0.71073","MoKα","","0.1179","0.1056","","","0.2973","0.3109","","","","","","1.026","","","","has coordinates,has disorder","262469","2021-03-05","01:15:12",""
"7128451","12.4105","0.0012","7.2547","0.0007","13.7901","0.0014","90","","90","","90","","1241.6","0.2","298.15","","298.15","","","","","","","","","3","C m c e","-C 2ac 2","64","tetramethyl cage","2,4,8,10-tetramethyl-3,9-dioxapentacyclo [6.4.0.0^2,7.0^4,11.0^5,10]dodecane-6,12-dione","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","0.25","","Li, Changan; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Cubane-forming cyclic dienes that exhibit orthogonal reactivities in the solid state.","Chemical communications (Cambridge, England)","2021","57","55","6725","6727","10.1039/d1cc02725e","","","0.71073","MoKα","","0.0527","0.0439","","","0.1102","0.1167","","","","","","1.052","","","","has coordinates","268508","2021-09-06","09:03:01",""
"7129690","56.364","0.003","20.1214","0.0012","51.165","0.003","90","","90","","90","","58027","6","175","2","175","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C28 H183 Cu8 K4 N28 Na7 Nb54 O184 -","- C28 Cu8 K4 N28 Na7 Nb54 O184 -","- C224 Cu64 K32 N224 Na56 Nb432 O1472 -","8","0.5","","Wu, Yan-Lan; Wang, Yong-Jiang; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Two high-nuclearity isopolyoxoniobates containing {Nb54 O151}-based helical nanotubes for the decomposition of chemical warfare agent simulants","Chemical Communications","2022","","","","","10.1039/D1CC06878D","","","0.71073","MoKα","","0.1201","0.08","","","0.2124","0.239","","","","","","1.06","","","","has coordinates,has disorder","272885","2022-02-09","22:54:01",""
"7129691","56.743","0.003","19.9065","0.001","55.091","0.002","90","","90","","90","","62228","5","175","2","175","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C32 H197 Cu11 K3 N32 Na4 Nb54 O184 -","- C32 Cu11 K3 N32 Na4 Nb54 O184 -","- C256 Cu88 K24 N256 Na32 Nb432 O1472 -","8","0.5","","Wu, Yan-Lan; Wang, Yong-Jiang; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Two high-nuclearity isopolyoxoniobates containing {Nb54 O151}-based helical nanotubes for the decomposition of chemical warfare agent simulants","Chemical Communications","2022","","","","","10.1039/D1CC06878D","","","0.71073","MoKα","","0.0761","0.0673","","","0.1851","0.1922","","","","","","1.021","","","","has coordinates,has disorder","272885","2022-02-09","22:54:02",""
"7130103","5.8303","0.0002","33.0703","0.0013","14.6045","0.0005","90","","90","","90","","2815.89","0.18","150","","150","","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- C18 H16 Se -","- C18 H16 Se -","- C144 H128 Se8 -","8","0.5","","Zhong, Wentao; Li, Meng; Jin, Yangbin; Jiang, Huanfeng; Wu, Wanqing","Synthesis of 2,5-disubstituted selenophenes via a copper-catalyzed regioselective [2+2+1] cyclization of terminal alkynes and selenium","Chemical Communications","2022","","","","","10.1039/D2CC00958G","","","0.71073","MoKα","","0.0738","0.0396","","","0.0625","0.0758","","","","","","1.092","","","","has coordinates,has disorder","275456","2022-05-16","21:56:22",""
"7130261","21.661","0.006","23.081","0.005","13.499","0.003","90","","90","","90","","6749","3","179.97","","179.97","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C10 H5 In N O5 -","- C10 H5 In N O5 -","- C160 H80 In16 N16 O80 -","16","1","","Jin, Jing; Xue, Juanjuan; Wu, Dan; Yang, Guoping; Wang, Yaoyu","Improved performance of the pyrimidine-modified porous In-MOF and an in situ prepared composite Ag@In-MOF material","Chemical Communications","2022","","","","","10.1039/D2CC02639B","","","0.71073","MoKα","","0.0669","0.0504","","","0.1583","0.1708","","","","","","1.135","","","","has coordinates,has disorder","276156","2022-06-22","21:54:59",""
"7130262","21.8718","0.0006","23.1289","0.0007","13.5024","0.0003","90","","90","","90","","6830.5","0.3","186","","186","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C8 H4 In O5 -","- C8 H4 In O5 -","- C128 H64 In16 O80 -","16","1","","Jin, Jing; Xue, Juanjuan; Wu, Dan; Yang, Guoping; Wang, Yaoyu","Improved performance of the pyrimidine-modified porous In-MOF and an in situ prepared composite Ag@In-MOF material","Chemical Communications","2022","","","","","10.1039/D2CC02639B","","","0.71073","MoKα","","0.0378","0.0306","","","0.0809","0.0857","","","","","","1.058","","","","has coordinates","276156","2022-06-22","21:54:59",""
"7130871","29.9847","0.0005","27.7701","0.0005","23.4604","0.0005","90","","90","","90","","19535","0.6","153.15","","153.15","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- Al28.75 O174 P2 V9.11 W18.14 -","- Al28.736 O174 P2 V9.1224 W18.1416 -","- Al114.944 O696 P8 V36.4896 W72.5664 -","4","0.25","","Zhou, Wei; Ogiwara, Naoki; Weng, Zhewei; Zhao, Congcong; Yan, Likai; Kikukawa, Yuji; Uchida, Sayaka","Vanadium-substituted polycationic Al-oxo cluster in a porous ionic crystal exhibiting Lewis acidity","Chemical Communications","2022","","","","","10.1039/D2CC03545F","","","0.71073","MoKα","","0.0664","0.0378","","","0.096","0.106","","","","","","1.045","","","","has coordinates,has disorder","278612","2022-10-17","21:56:56",""
"7132275","24.3756","0.0006","20.6384","0.0004","20.7047","0.0004","90","","90","","90","","10416","0.4","203","2","203","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C106 H146 N16 Tb4 -","- C106 H146 N16 Tb4 -","- C424 H584 N64 Tb16 -","4","0.25","","Mavragani, Niki; Kitos, Alexandros; Galico, Diogo A.; Mansikkamäki, Akseli; Murugesu, Muralee","Probing the magnetic and magneto-optical properties of a radical-bridged Tb4 single-molecule magnet","Chemical Communications","2023","","","","","10.1039/D3CC03034B","","","0.71073","MoKα","","0.0757","0.0684","","","0.1511","0.1543","","","","","","1.367","","","","has coordinates,has disorder","287165","2023-10-30","22:55:26",""
"7132507","12.2275","0.001","7.8196","0.0006","27.4908","0.0019","90","","90","","90","","2628.5","0.3","298","2","298","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C26 H46 N2 S2 -","- C26 H46 N2 S2 -","- C104 H184 N8 S8 -","4","0.25","","Nayak, Mithilesh Kumar; Elvers, Benedict J.; Mehta, Sakshi; Krummenacher, Ivo; Mondal, Abhishake; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","Bis-[cyclic(alkyl)(amino)carbene]-derived diradicals.","Chemical communications (Cambridge, England)","2024","60","13","1739","1742","10.1039/d3cc05779h","","","0.71073","MoKα","","0.0616","0.0443","","","0.1175","0.1235","","","","","","1.097","","","","has coordinates","290093","2024-03-04","19:51:01",""
"7157219","7.2732","0.0009","18.924","0.002","31.436","0.004","90","","90","","90","","4326.8","0.9","200","2","200","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C23 H23 B N2 O2 -","- C23 H23 B N2 O2 -","- C184 H184 B8 N16 O16 -","8","0.5","","Shimomura, N.; Egawa, Y.; Miki, R.; Fujihara, T.; Ishimaru, Y.; Seki, T.","A red fluorophore comprising a borinate-containing xanthene analogue as a polyol sensor.","Organic & biomolecular chemistry","2016","14","42","10031","10036","10.1039/c6ob01695b","","","0.71073","MoKα","","0.0778","0.0655","","","0.1889","0.1962","","","","","","1.138","","","","has coordinates","234777","2020-10-21","18:00:00",""
"7221895","30.09","0.03","17.23","0.02","8.658","0.007","90","","90","","90","","4489","8","100","2","100","2","","","","","","","synthesis as described","5","C m c e","-C 2ac 2","64","","Poly{dimethylamonnium[(mu-4,4'-azobenzenedicarboxylate-k2O,O':k2O'',O''')(mu-acetato-kO:kO)cadmate(II)]}","","- C18 H19 Cd N3 O6 -","- C18 H14 Cd N3 O6 -","- C144 H112 Cd8 N24 O48 -","8","0.5","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.1623","0.1524","","","0.3267","0.3321","","","","","","1.106","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222297","24.11298","","16.94684","","19.73992","","90","","90","","90","","8066.5","","","","","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C250.33 H239.03 Co24 N125.16 O93.65 -","- C250.304 H319 Co24 N125.152 O13.648 -","- C250.304 H319 Co24 N125.152 O13.648 -","1","0.0625","","Zhang, Jingcheng; Zhang, Tianci; Yu, Dongbo; Xiao, Kesong; Hong, Yu","Transition from ZIF-L-Co to ZIF-67: a new insight into the structural evolution of zeolitic imidazolate frameworks (ZIFs) in aqueous systems","CrystEngComm","2015","17","43","8212","","10.1039/C5CE01531F","","","","","","","","","","","","","","","","","","","","","has coordinates","209362","2020-10-21","18:00:00",""
"7224086","24.6165","0.0009","35.8569","0.0015","30.2783","0.0012","90","","90","","90","","26725.8","1.8","296","2","296","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C54 H42 Co7 N6 O35 -","- C54 H42 Co7 N6 O35 -","- C432 H336 Co56 N48 O280 -","8","0.5","","Guo, Xiao-Qing; Wang, Miao; Tang, Yan-Feng; Meng, Fei; Jiang, Guo-Qing; Zhu, Jin-Li","A new Co-nitroimidazolate‒dicarboxylate pillared-layer network with various types of channels and ultra-large cages for gas uptake","CrystEngComm","2016","18","10","1768","","10.1039/C5CE02270C","","","0.71073","MoKα","","0.1094","0.0816","","","0.23","0.2494","","","","","","0.998","","","","has coordinates","177748","2020-10-21","18:00:00",""
"7225203","26.9829","0.001","37.6059","0.0015","19.3314","0.0007","90","","90","","90","","19615.9","1.3","296","2","296","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C32 H38 Cu2 Mo16 N24 O57 -","- C32 H32 Cu2 Mo16 N24 O57 -","- C256 H256 Cu16 Mo128 N192 O456 -","8","0.5","","Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge","Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand","CrystEngComm","2016","18","27","5101","","10.1039/C6CE01035K","","","0.71073","MoKα","","0.0828","0.0561","","","0.1605","0.1743","","","","","","1.081","","","","has coordinates","185230","2020-10-21","18:00:00",""
"7225204","27.09","0.0013","38.276","0.0013","19.107","0.0008","90","","90","","90","","19812","1.4","296","2","296","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C16 H22 Co Mo8 N12 O30 -","- C16 H16 Co Mo8 N12 O30 -","- C256 H256 Co16 Mo128 N192 O480 -","16","1","","Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge","Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand","CrystEngComm","2016","18","27","5101","","10.1039/C6CE01035K","","","0.71069","MoKα","","0.0746","0.0475","","","0.1396","0.1507","","","","","","1.082","","","","has coordinates","185230","2020-10-21","18:00:00",""
"7226303","7.364","0.0005","31.451","0.002","6.2719","0.0005","90","","90","","90","","1452.6","0.18","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- Ag2 F2 O6 Se2 Zr -","- Ag2 F2 O6 Se2 Zr -","- Ag16 F16 O48 Se16 Zr8 -","8","0.5","","Qian, Cheng; Kong, Fang; Mao, Jianggao","A Series of New Silver Selenites with d0-TM Cations","RSC Adv.","2016","","","","","10.1039/C6RA17867G","","","0.71073","MoKα","","0.0335","0.0237","","","0.0433","0.0477","","","","","","1.097","","","","has coordinates","185892","2020-10-21","18:00:00",""
"7226904","7.6148","0.0009","7.8988","0.0008","24.473","0.003","90","","90","","90","","1472","0.3","120","2","120","2","","","","","","","","4","C m c e","-C 2ac 2","64","","?DW-X-7-SEB 2-amino-5-(iodoethynyl)-pyrimidine","","- C6 H4 I N3 -","- C6 H4 I N3 -","- C48 H32 I8 N24 -","8","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.1004","0.0865","","","0.1898","0.1975","","","","","","1.064","","","","has coordinates","191574","2020-10-21","18:00:00",""
"7227004","28.0134","0.0007","17.8914","0.0004","12.7629","0.0003","90","","90","","90","","6396.8","0.3","293","2","293","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C56 H36 Mg8 N4 Ni12 O89 P4 -","- C56 H36 Mg8 N4 Ni12 O89 P4 -","- C112 H72 Mg16 N8 Ni24 O178 P8 -","2","0.125","","Geng, Yong-Jie; Zhang, Ai-Qin; Wu, Kun-Xian; Xue, Dong-Xu; Liu, Zhi-Hong","A unique (3,10)-connected magnesium/nickel-based metal‒organic framework constructed from an unusual kgd supermolecular building layer via mixed linkers and solid solution approach","CrystEngComm","2016","18","43","8358","","10.1039/C6CE01629D","","","0.71073","MoKα","","0.0821","0.0778","","","0.1886","0.1899","","","","","","1.095","","","","has coordinates","187996","2020-10-21","18:00:00",""
"7227503","15.1879","0.00013","22.0564","0.0017","11.4445","0.0001","90","","90","","90","","3833.8","0.3","110","2","110","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C11 H4 Ag Br4 F3 N2 O3 S -","- C11 H4 Ag Br4 F3 N2 O3 S -","- C88 H32 Ag8 Br32 F24 N16 O24 S8 -","8","0.5","","Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V.","Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials","RSC Adv.","2017","7","12","7358","","10.1039/C6RA28197D","","","1.54184","CuKα","","0.0205","0.0201","","","0.0548","0.0551","","","","","","1.059","","","","has coordinates","190878","2020-10-21","18:00:00",""
"7227921","33.6004","0.0006","26.9604","0.0005","23.2138","0.0005","90","","90","","90","","21028.9","0.7","133","2","133","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C50 H28 Co3 N2 O16 -","- C50 H28 Co3 N2 O16 -","- C400 H224 Co24 N16 O128 -","8","0.5","","Akintola, Oluseun; Ziegenbalg, Sven; Buchholz, Axel; Görls, Helmar; Plass, Winfried","Robust anionic pillared-layer framework with triphenylamine-based linkers: ion exchange and counterion-dependent sorption properties","CrystEngComm","2017","","","","","10.1039/C7CE00369B","","","0.71073","MoKα","","0.0929","0.0649","","","0.182","0.1984","","","","","","1.02","","","","has coordinates","194464","2020-10-21","18:00:00",""
"7232182","37.4012","0.0011","23.0052","0.0007","7.1553","0.0002","90","","90","","90","","6156.6","0.3","293","2","293","2","","","","","","","","4","C m c e","-C 2ac 2","64","MIL53(In)_OH","","","- C8 H4 In O8 -","- C8 H4 In O8 -","- C128 H64 In16 O128 -","16","1","","Wu, Lei; Chaplais, Gérald; Xue, Ming; Qiu, Shilun; Patarin, Joël; Simon-Masseron, Angélique; Chen, Huaxin","New functionalized MIL-53(In) solids: syntheses, characterization, sorption, and structural flexibility","RSC Advances","2019","9","4","1918","","10.1039/C8RA08522F","","","0.71073","MoKα","","0.0382","0.0361","","","0.1388","0.1412","","","","","","1.071","","","","has coordinates","213094","2020-10-21","18:00:00",""
"7232933","6.9632","","9.0671","","12.2695","","90","","90","","90","","774.648","","293","","293","","","","","","","","","4","C m c e","-C 2ac 2","64","vyacheslavite","","","- H O5 P U -","- H O5 P U -","- H8 O40 P8 U8 -","8","0.5","","Steciuk, Gwladys; Ghazisaeed, Seyedayat; Kiefer, Boris; Plášil, Jakub","Crystal structure of vyacheslavite, U(PO4)(OH), solved from natural nanocrystal: a precession electron diffraction tomography (PEDT) study and DFT calculations","RSC Advances","2019","9","34","19657","","10.1039/C9RA03694F","","electron","0.0335","electron","","0.2078","0.0953","","","0.0883","0.0945","","","","0","0","2.01","","","","has coordinates","216509","2020-10-21","18:00:00",""
"7234932","37.861","0.003","9.2563","0.0005","9.274","0.0005","90","","90","","90","","3250.1","0.4","130","2","130","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C7 H4 I5 K O4 -","- C7 I5 K O4 -","- C56 I40 K8 O32 -","8","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0356","0.0321","","","0.0834","0.0859","","","","","","1.109","","","","has coordinates,has disorder","223246","2020-10-21","18:00:00",""
"7234937","7.0873","0.0002","18.2022","0.0006","20.2832","0.0007","90","","90","","90","","2616.62","0.15","290","2","290","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C18 H18 Cl6 N4 O2 Sn -","- C18 H18 Cl6 N4 O2 Sn -","- C72 H72 Cl24 N16 O8 Sn4 -","4","0.25","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","1.5418","CuKα","","0.0628","0.0474","","","0.1185","0.13","","","","","","1.052","","","","has coordinates","223248","2020-10-21","18:00:00",""
"7234943","14.223","0.002","19.574","0.003","19.197","0.003","90","","90","","90","","5344.5","1.4","103","2","103","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C19 H24 B Cu3 N9 S3 W -","- C19 H24 B Cu3 N9 S3 W -","- C152 H192 B8 Cu24 N72 S24 W8 -","8","0.5","","Liu, Quan; Xu, Hong-Juan; Yu, Li-Ce; Lu, Ming-Jie; Shang, Yan-Fang; Song, Ying-Lin; Zhang, Wen-Hua; Lang, Jian-Ping","Isoreticular Tp*‒W‒Cu‒S cluster-based one-dimensional coordination polymers with an uncommon [Tp*WS3Cu2] + [Cu] combination and their third-order nonlinear optical properties","CrystEngComm","2019","21","21","3343","","10.1039/C9CE00439D","","","0.71073","MoKα","","0.0523","0.0439","","","0.1551","0.1614","","","","","","1.077","","","","has coordinates","223251","2020-10-21","18:00:00",""
"7235420","13.9096","0.0006","13.6136","0.0005","19.723","0.001","90","","90","","90","","3734.7","0.3","120","2","120","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C4 H11 Cl Cu4 F4 N2 O12 P4 -","- C4 H11 Cl Cu4 F4 N2 O12.13 P4 -","- C32 H88 Cl8 Cu32 F32 N16 O97.04 P32 -","8","0.5","","Williams, Edward R.; Marshall, Kayleigh; Weller, Mark T.","Copper(ii) chlorofluorophosphate: a new layered square-net for intercalating amines","CrystEngComm","2015","17","1","160","","10.1039/C4CE01126K","","","0.71073","MoKα","","0.135","0.0874","","","0.1577","0.1816","","","","","","1.078","","","","has coordinates","232771","2020-10-21","18:00:00",""
"7235421","13.722","0.0006","13.7879","0.0006","24.8892","0.0009","90","","90","","90","","4709","0.3","120","2","120","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C6 H16 Cl0.25 Cu4 F4 N2 O16.88 P5 -","- C6 H16 Cl0.191 Cu4 F4 N2 O16.923 P5.009 -","- C48 H128 Cl1.528 Cu32 F32 N16 O135.384 P40.072 -","8","0.5","","Williams, Edward R.; Marshall, Kayleigh; Weller, Mark T.","Copper(ii) chlorofluorophosphate: a new layered square-net for intercalating amines","CrystEngComm","2015","17","1","160","","10.1039/C4CE01126K","","","0.71073","MoKα","","0.1477","0.0912","","","0.1514","0.1721","","","","","","1.09","","","","has coordinates","232771","2020-10-21","18:00:00",""
"7235424","17.1919","0.0004","17.6525","0.0005","28.3109","0.0008","90","","90","","90","","8591.8","0.4","293","2","296.15","","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C79.5 H66 Ag4 Cl2 F12 N18 O12 S4 -","- C79.5 H66 Ag4 Cl2 F12 N18 O12 S4 -","- C318 H264 Ag16 Cl8 F48 N72 O48 S16 -","4","0.25","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0497","0.0343","","","0.0893","0.0995","","","","","","1.052","","","","has coordinates,has disorder","232774","2020-10-21","18:00:00",""
"7235935","8","0.001","20.119","0.004","16.731","0.002","90","","90","","90","","2692.9","0.7","298","2","298","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H13 Cl N2 S Sn -","- C8 H13 Cl N2 S Sn -","- C64 H104 Cl8 N16 S8 Sn8 -","8","0.5","","Tyagi, Adish; Kedarnath, G.; Wadawale, Amey; Jain, Vimal K.; Kumar, Mukesh; Vishwanadh, B.","Diorganotin(iv) 2-pyridyl and 2-pyrimidyl thiolates: synthesis, structures and their utility as molecular precursors for the preparation of tin sulfide nanosheets","RSC Advances","2015","5","77","62882","","10.1039/C5RA09267A","","","0.71069","MoKα","","0.1411","0.0546","","","0.1033","0.128","","","","","","0.976","","","","has coordinates","233766","2020-10-21","18:00:00",""
"7236488","32.4215","0.0006","9.5567","0.0002","25.2788","0.0004","90","","90","","90","","7832.4","0.3","173","2","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C80 H66 Br4 N14 O8 Zn2 -","- C80 H66 Br4 N14 O8 Zn2 -","- C320 H264 Br16 N56 O32 Zn8 -","4","0.25","","Lee, Jeong Jun; Choi, Daye; Lee, Haeri; Jung, Ok-Sang","Coordination-cyclodimeric array containing both channels and cages: photoluminescence recognition of diiodomethane","CrystEngComm","2017","19","23","3117","","10.1039/C7CE00616K","","","0.71073","MoKα","","0.1249","0.0873","","","0.2458","0.2892","","","","","","1.024","","","","has coordinates","235610","2020-10-21","18:00:00",""
"7236489","32.2944","0.0008","9.5094","0.0002","25.206","0.0006","90","","90","","90","","7740.8","0.3","173","2","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C80 H66 Cl4 N14 O8 Zn2 -","- C80 H62 Cl4 N14 O8 Zn2 -","- C320 H248 Cl16 N56 O32 Zn8 -","4","0.25","","Lee, Jeong Jun; Choi, Daye; Lee, Haeri; Jung, Ok-Sang","Coordination-cyclodimeric array containing both channels and cages: photoluminescence recognition of diiodomethane","CrystEngComm","2017","19","23","3117","","10.1039/C7CE00616K","","","0.71073","MoKα","","0.0977","0.0681","","","0.1963","0.2219","","","","","","1.052","","","","has coordinates","235610","2020-10-21","18:00:00",""
"7236490","32.2573","0.0004","9.3547","0.0001","25.2417","0.0003","90","","90","","90","","7616.87","0.15","173","2","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C76 H60 I4 N12 O8 Zn2 -","- C76 H60 I4 N12 O8 Zn2 -","- C304 H240 I16 N48 O32 Zn8 -","4","0.25","","Lee, Jeong Jun; Choi, Daye; Lee, Haeri; Jung, Ok-Sang","Coordination-cyclodimeric array containing both channels and cages: photoluminescence recognition of diiodomethane","CrystEngComm","2017","19","23","3117","","10.1039/C7CE00616K","","","0.71073","MoKα","","0.092","0.0726","","","0.2108","0.2358","","","","","","1.049","","","","has coordinates,has disorder","235610","2020-10-21","18:00:00",""
"7236493","10.914","0.0009","20.5461","0.0015","11.5001","0.0008","90","","90","","90","","2578.8","0.3","293","2","293","2","","","","","","","synthesis as described","6","C m c e","-C 2ac 2","64","","","","- C12 H26 B2 Fe N18 O6 -","- C12 H26 B2 Fe N18 O6 -","- C48 H104 B8 Fe4 N72 O24 -","4","0.25","","Rat, S.; Ridier, K.; Vendier, L.; Molnár, G.; Salmon, L.; Bousseksou, A.","Solvatomorphism and structural-spin crossover property relationship in bis[hydrotris(1,2,4-triazol-1-yl)borate]iron(ii)","CrystEngComm","2017","19","24","3271","","10.1039/C7CE00741H","","","0.71073","MoKα","","0.0476","0.0356","","","0.0884","0.095","","","","","","1.028","","","","has coordinates","235612","2020-10-21","18:00:00",""
"7236517","18.696","0.002","14.2482","0.0017","16.1635","0.0019","90","","90","","90","","4305.7","0.9","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C23 H22 N2 O5 Zn -","- C23 H22 N2 O5 Zn -","- C184 H176 N16 O40 Zn8 -","8","0.5","","Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl","RSC Advances","2018","8","14","7428","","10.1039/C7RA12874F","","","0.71073","MoKα","","0.0951","0.0706","","","0.1929","0.2037","","","","","","1.088","","","","has coordinates,has disorder","236249","2020-10-21","18:00:00",""
"7237070","9.79","0.004","12.442","0.005","11.16","0.004","90","","90","","90","","1359.4","0.9","250","2","250","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C8 H14 B2 F8 N2 -","- C8 H14 B2 F8.008 N2 -","- C32 H56 B8 F32.032 N8 -","4","0.25","","Rok, M.; Szklarz, P.; Bator, G.","Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine","CrystEngComm","2018","20","38","5772","","10.1039/C8CE01231H","","","0.71073","MoKα","","0.109","0.0724","","","0.2256","0.2722","","","","","","1.035","","","","has coordinates,has disorder","236805","2020-10-21","18:00:00",""
"7237161","23.1218","0.0019","10.7247","0.0009","24.0502","0.0017","90","","90","","90","","5963.8","0.8","100","2","100","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C36 H76 Cl4 Co6 N18 P6 S8 -","- C36 H76 Cl4 Co6 N18 P6 S8 -","- C144 H304 Cl16 Co24 N72 P24 S32 -","4","0.25","","Freeman, Matthew B.; Wang, Le; Jones, Daniel S.; Bejger, Christopher M.","A cobalt sulfide cluster-based catholyte for aqueous flow battery applications","Journal of Materials Chemistry A","2018","6","44","21927","","10.1039/C8TA05788E","","","0.71073","MoKα","","0.0753","0.0492","","","0.1025","0.1136","","","","","","1.0052","","","","has coordinates","237462","2020-10-21","18:00:00",""
"7237480","7.5746","0.0007","22.852","0.002","7.5728","0.0006","90","","90","","90","","1310.8","0.2","280","2","280","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C6 H16 Cd Cl4 N2 -","- C6 H16 Cd Cl4 N2 -","- C24 H64 Cd4 Cl16 N8 -","4","0.25","","Han, Shiguo; Liu, Xitao; Zhang, Jing; Ji, Chengmin; Wu, Zhenyue; Tao, Kewen; Wang, Yuyin; Sun, Zhihua; Luo, Junhua","Dielectric phase transition triggered by the order‒disorder transformation of cyclopropylamine in a layered organic‒inorganic halide perovskite","Journal of Materials Chemistry C","2018","6","38","10327","","10.1039/C8TC03517B","","","0.71073","MoKα","","0.079","0.0635","","","0.1791","0.1925","","","","","","1.099","","","","has coordinates","237695","2020-10-21","18:00:00",""
"7237998","29.051","0.002","8.6982","0.0006","8.7096","0.0006","90","","90","","90","","2200.8","0.3","212","","212.01","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C31.45 I8 N8 Pb2 S0.55 -","- C31.44 I8 N8 Pb2 S0.56 -","- C62.88 I16 N16 Pb4 S1.12 -","2","0.125","","Wei, Wen-Juan; Li, Chao; Li, Lin-Sui; Tang, Yun-Zhi; Jiang, Xing-Xing; Lin, Zhe-Shuai","Phase transition, optical and dielectric properties regulated by anion-substitution in a homologous series of 2D hybrid organic‒inorganic perovskites","Journal of Materials Chemistry C","2019","7","38","11964","","10.1039/C9TC04479E","","x-ray","0.71073","MoKα","","0.0456","0.0408","","","0.0798","0.0813","","","","","","1.291","","","","has coordinates,has disorder","238823","2020-10-21","18:00:00",""
"7237999","32.397","0.007","7.7997","0.0013","7.7943","0.0014","90","","90","","90","","1969.5","0.6","415","","415","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C21.28 Cl8 N4 Pb2 S2.72 -","- C21.28 Cl8 N4 Pb2 S2.72 -","- C42.56 Cl16 N8 Pb4 S5.44 -","2","0.125","","Wei, Wen-Juan; Li, Chao; Li, Lin-Sui; Tang, Yun-Zhi; Jiang, Xing-Xing; Lin, Zhe-Shuai","Phase transition, optical and dielectric properties regulated by anion-substitution in a homologous series of 2D hybrid organic‒inorganic perovskites","Journal of Materials Chemistry C","2019","7","38","11964","","10.1039/C9TC04479E","","","0.71073","MoKα","","0.0488","0.0291","","","0.0687","0.0767","","","","","","1.107","","","","has coordinates,has disorder","238823","2020-10-21","18:00:00",""
"7239657","29.002","0.003","17.6197","0.0015","16.9351","0.0015","90","","90","","90","","8653.9","1.4","175","2","175","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C36 H44 Cu10 I8 N8 O10 -","- C36 H44 Cu10 I8 N8 O10 -","- C144 H176 Cu40 I32 N32 O40 -","4","0.25","","Liu, Jin-Hua; Zhang, Jing; Zhao, Dan; Lin, Li-Dan; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","The incorporation of heterovalent copper-oxo and copper-halide clusters for the fabrication of three porous cluster organic frameworks: syntheses, structures and iodine adsorption/release study","CrystEngComm","2020","22","4","821","828","10.1039/C9CE01745C","","","0.71073","MoKα","","0.0384","0.0315","","","0.0896","0.0926","","","","","","1.05","","","","has coordinates","257452","2020-10-21","18:00:00",""
"7241025","17.2166","0.0007","24.801","0.0008","25.0137","0.0012","90","","90","","90","","10680.6","0.8","173","2","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C26 H16 Au Co N7 S8 -","- C26 H16 Au Co N7 S8 -","- C208 H128 Au8 Co8 N56 S64 -","8","0.5","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.1599","0.0876","","","0.1982","0.2338","","","","","","1.035","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7242289","13.5302","0.0002","34.6388","0.0007","15.2486","0.0002","90","","90","","90","","7146.6","0.2","200","2","200","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C25 H29 Br N3 O2 Re -","- C25 H29 Br N3 O2 Re -","- C200 H232 Br8 N24 O16 Re8 -","8","0.5","","Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio","Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes","RSC Advances","2021","11","13","7511","7520","10.1039/D1RA00514F","","x-ray","1.54186","CuKα","","0.0457","0.0439","","","0.1308","0.1329","","","","","","1.094","","","","has coordinates,has disorder","262019","2021-02-17","05:19:59",""
"7242501","19.149","0.004","10.772","0.002","23.154","0.005","90","","90","","90","","4776","1.7","113.15","","113.15","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C10.25 H13 Cu0.5 O5.25 -","- C10.25 H13 Cu0.5 O5.25 -","- C164 H208 Cu8 O84 -","16","1","","Liu, Chengxin; Cui, Jin; Wang, Yufang; Zhang, Mingjie","A novel two-dimensional metal‒organic framework as a recyclable heterogeneous catalyst for the dehydrogenative oxidation of alcohol and the N-arylation of azole compounds","RSC Advances","2021","11","19","11739","11744","10.1039/D1RA00248A","","","0.71073","MoKα","","0.0957","0.0903","","","0.2145","0.2176","","","","","","1.151","","","","has coordinates,has disorder","263234","2021-03-23","05:38:50",""
"7242825","33.443","0.002","16.4404","0.0009","20.0127","0.0012","90","","90","","90","","11003.3","1.1","170","2","170","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C34 H18 O15 Th2 -","- C34 H18 O15 Th2 -","- C272 H144 O120 Th16 -","8","0.5","","Yu, Ting; Qian, Zheng-hua; Li, Lin; Wu, Xiao-ling; He, Hui; Qiao, Yan-bo; Ye, Guo-an","Synthesis of luminescent thorium-based metal‒organic frameworks with 1,2,4,5-tetrakis(4-carboxyphenyl)benzene","RSC Advances","2021","11","28","17431","17436","10.1039/D1RA01742J","","","1.34139","GaKα","","0.0997","0.0808","","","0.2164","0.2356","","","","","","1.061","","","","has coordinates","265168","2021-05-13","04:04:48",""
"7242871","7.7002","0.0007","14.3978","0.0016","12.7602","0.0011","90","","90","","90","","1414.7","0.2","150","2","150","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C4 H5 N5 O4 -","- C4 H5 N5 O4 -","- C32 H40 N40 O32 -","8","0.5","","Wozniak, Dominique R.; Zeller, Matthias; Byrd, Edward F. C.; Piercey, Davin G.","3-Methyl-1,2,3-triazolium-1N-dinitromethylylide and the strategy of zwitterionic dinitromethyl groups in energetic materials design","RSC Advances","2021","11","29","17710","17714","10.1039/D1RA00953B","","","1.54178","CuKα","","0.0483","0.0461","","","0.1406","0.1427","","","","","","1.16","","","","has coordinates","265240","2021-05-15","04:01:31",""
"7243129","20.5149","0.0008","16.0901","0.0012","15.5524","0.0005","90","","90","","90","","5133.6","0.5","296.3","0.9","296.3","0.9","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C16 H16 Co0.67 N2 O6 -","- C16 H16 Co0.666667 N2 O6 -","- C192 H192 Co8 N24 O72 -","12","0.75","","Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina","Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids","CrystEngComm","2021","23","32","5489","5497","10.1039/D1CE00659B","","","0.71073","MoKα","","0.1258","0.0598","","","0.1331","0.1626","","","","","","1","","","","has coordinates,has disorder","268647","2021-09-06","10:23:52",""
"7243132","20.5127","0.0006","16.0761","0.0005","15.2569","0.0005","90","","90","","90","","5031.2","0.3","298","0.1","298","0.1","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C46 H38 N6 Ni2 O18 -","- C45.9998 H38 N6 Ni2 O18 -","- C183.999 H152 N24 Ni8 O72 -","4","0.25","","Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina","Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids","CrystEngComm","2021","23","32","5489","5497","10.1039/D1CE00659B","","","0.71073","MoKα","","0.0746","0.0538","","","0.1995","0.2447","","","","","","0.99","","","","has coordinates","268647","2021-09-06","10:23:52",""
"7243950","26.34","0.1","7.03","0.1","14.16","0.16","90","","90","","90","","2622","5","293","","293","","","","","","","","","2","C m c e","-C 2ac 2","64","","5,6,11,12-tetraphenyltetracene","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","0.25","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1178","0.092","","","0.2275","0.2452","","","","","","1.111","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7244215","17.9648","0.0014","19.2765","0.0014","12.8235","0.001","90","","90","","90","","4440.8","0.6","150","","150","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C13.76 H30.64 F6 Fe I0.12 N5 O3.76 P -","- C13.76 H30.64 F6 Fe I0.12 N5 O3.76 P -","- C110.08 H245.12 F48 Fe8 I0.96 N40 O30.08 P8 -","8","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.064","0.0528","","","0.1538","0.1651","","","","","","1.033","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244707","20.7302","0.0003","30.3248","0.0003","17.7067","0.0002","90","","90","","90","","11131.1","0.2","123","2","123","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C42.5 H48.5 Cd3 Cl N3.5 O28 -","- C42.5 H48.5 Cd3 Cl N3.5 O28 -","- C340 H388 Cd24 Cl8 N28 O224 -","8","0.5","","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","","","1.54184","","","0.0804","0.0767","","","0.2163","0.2203","","","","","","1.047","","","","has coordinates,has disorder","274181","2022-03-31","22:37:50",""
"7245308","16.7917","0.0008","15.9499","0.0008","24.5755","0.0013","90","","90","","90","","6582","0.6","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","SQNU-22","","- C68 H94 F2 Mg5 N10 O24 -","- C48 H52 F2 Mg5 N4 O20 -","- C192 H208 F8 Mg20 N16 O80 -","4","0.25","","Zhang, Jian-Wei; Li, Xi; Yu, Rui-Ying; Zhang, Jinping; Chen, Ya; Li, Jieqiong","An unusual F-bridged dual-trinuclear Mg-organic framework as luminescent thermometer for highly efficient low-temperature detection","CrystEngComm","2022","","","","","10.1039/D2CE01008A","","","0.71073","MoKα","","0.0725","0.0522","","","0.1372","0.1471","","","","","","1.053","","","","has coordinates,has disorder","277240","2022-08-13","22:28:33",""
"7245562","17.191","0.004","9.0546","0.0018","16.425","0.004","90","","90","","90","","2556.7","1","296.1","0.5","296.1","0.5","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H12 Br Ho N2 O8 -","- C8 H12 Br Ho N2 O8 -","- C64 H96 Br8 Ho8 N16 O64 -","8","0.5","","Zhou, Juan; Yu, Ting; Tang, Si si; He, Xiao Ming; Zhang, Xin Lei; Zhou, Lian; Sun, Lin; Zhang, Jun","Tuning the bonding dimensions for coordination polymers based on rare earth metal ions","CrystEngComm","2022","","","","","10.1039/D2CE01131J","","x-ray","0.71073","MoKα","","0.0443","0.0415","","","0.1256","0.1272","","","","","","1.112","","","","has coordinates","278136","2022-09-26","15:24:47",""
"7246360","28.8765","0.0004","23.5183","0.0004","16.9031","0.0002","90","","90","","90","","11479.3","0.3","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C29 H28 Cd N2 O7 -","- C26 H19 Cd N2 O5 -","- C416 H304 Cd16 N32 O80 -","16","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","x-ray","1.54184","CuKα","","0.0779","0.0758","","","0.2125","0.2161","","","","","","1.079","","","","has coordinates","284268","2023-06-05","04:26:32",""
"7246361","29.0368","0.0003","22.6033","0.0002","16.92391","0.00015","90","","90","","90","","11107.6","0.18","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C29 H28 N3 O7 Zn -","- C26 H19 N2 O5 Zn -","- C416 H304 N32 O80 Zn16 -","16","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","x-ray","1.54184","CuKα","","0.0391","0.0351","","","0.1066","0.11","","","","","","1.085","","","","has coordinates","284268","2023-06-05","04:26:42",""
"7247210","34.3394","0.0016","7.4235","0.0003","19.2266","0.001","90","","90","","90","","4901.2","0.4","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C26 H14 F3 I3 N2 -","- C26 H14 F3 I3 N2 -","- C208 H112 F24 I24 N16 -","8","0.5","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0315","0.0252","","","0.0588","0.0631","","","","","","1.051","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247803","7.564","0.0002","21.9862","0.0006","17.8275","0.0004","90","","90","","90","","2964.78","0.13","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C4 H16 Bi Cl5 N2 -","- C4 H15 Bi Cl5 N2 -","- C32 H120 Bi8 Cl40 N16 -","8","0.5","","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","","0.0416","0.03","","","0.0719","0.0751","","","","","","1.02","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247804","7.6954","0.0002","22.2151","0.0008","17.9473","0.0005","90","","90","","90","","3068.16","0.16","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C4 H16 Bi Br2.27 Cl2.73 N2 -","- C4 H15 Bi Br2.259 Cl2.741 N2 -","- C32 H120 Bi8 Br18.072 Cl21.928 N16 -","8","0.5","","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","","0.0796","0.0438","","","0.0848","0.0924","","","","","","1.032","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247805","7.767","0.0003","22.3242","0.0008","18.0376","0.0006","90","","90","","90","","3127.58","0.19","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C4 H16 Bi Br3.13 Cl1.87 N2 -","- C4 H15 Bi Br3.125 Cl1.875 N2 -","- C32 H120 Bi8 Br25 Cl15 N16 -","8","0.5","","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","","","0.71073","MoKα","","0.0506","0.0339","","","0.0622","0.066","","","","","","1.026","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247806","7.894","0.0002","22.4137","0.0007","18.2284","0.0006","90","","90","","90","","3225.22","0.17","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C4 H16 Bi Br5 N2 -","- C4 H15 Bi Br5 N2 -","- C32 H120 Bi8 Br40 N16 -","8","0.5","","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","","0.098","0.0521","","","0.0843","0.0933","","","","","","1.016","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247807","7.6366","0.0002","22.1176","0.0008","17.8909","0.0005","90","","90","","90","","3021.83","0.16","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C4 H16 Bi Br1.18 Cl3.82 N2 -","- C4 H15 Bi Br1.187 Cl3.813 N2 -","- C32 H120 Bi8 Br9.496 Cl30.504 N16 -","8","0.5","","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","","0.0627","0.0351","","","0.0668","0.0719","","","","","","0.975","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7248316","20.8238","0.0019","15.3516","0.0014","13.7001","0.0014","90","","90","","90","","4379.6","0.7","150","2","150","2","","","","","","","synthesis as described","6","C m c e","-C 2ac 2","64","","","","- C16 H20 Br4 Hg N2 O2 -","- C16 H20 Br4 Hg N2 O2 -","- C128 H160 Br32 Hg8 N16 O16 -","8","0.5","","Chkoundali, Souad; Garoui, Iheb; Trigui, Wala; Oueslati, Abderrazek","Crystal structure, Hirshfeld surface analysis, conduction mechanism and electrical modulus study of the new organic-inorganic compound [C<sub>8</sub>H<sub>10</sub>NO]<sub>2</sub>HgBr<sub>4</sub>.","RSC advances","2024","14","13","8971","8980","10.1039/d4ra00689e","","x-ray","0.71073","MoKα","","0.0168","0.015","","","0.0345","0.0352","","","","","","1.113","","","","has coordinates","290535","2024-03-19","03:00:53",""
"7700080","13.102","0.01","18.403","0.014","16.48","0.013","90","","90","","90","","3974","5","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C6 H8 Cu I2 N -","- C6 H8 Cu I2 N -","- C96 H128 Cu16 I32 N16 -","16","1","","Yue, Cheng-Yang; Lin, Na; Gao, Lu; Jin, Ying-Xue; Liu, Zhao-Yang; Cao, Yao-Yao; Han, Sha-Sha; Lian, Xi-Kai; Hu, Bing; Lei, Xiao-Wu","Organic cation directed one-dimensional cuprous halide compounds: syntheses, crystal structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10151","10159","10.1039/c9dt01460h","","","0.71073","MoKα","","0.0382","0.0333","","","0.0958","0.0998","","","","","","1.067","","","","has coordinates","223874","2020-10-21","18:00:00",""
"7701767","13.2661","0.0002","15.3835","0.0002","28.9916","0.0003","90","","90","","90","","5916.58","0.13","293.91","0.1","293.91","0.1","","","","","","","","6","C m c e","-C 2ac 2","64","","iPr-POCOP-Pd-0-CB","","- C20 H42 B10 O2 P2 Pd -","- C20 H42 B10 O2 P2 Pd -","- C160 H336 B80 O16 P16 Pd8 -","8","0.5","","Cao, Bula; Ding, Yazhou; Fang, Fei; Chang, Jiarui; Zhang, Jie; Li, Shujun; Chen, Xuenian","The stability of group 10 metal POCOP pincer complexes: decomposition/reconstruction pathways of the pincer backbone.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13760","13768","10.1039/c9dt02825k","","x-ray","1.54184","CuKα","","0.0377","0.0354","","","0.0877","0.0889","","","","","","1.071","","","","has coordinates,has disorder","223354","2020-10-21","18:00:00",""
"7701771","13.1407","0.0002","15.2729","0.0002","28.7118","0.0003","90","","90","","90","","5762.36","0.13","169.99","0.1","169.99","0.1","","","","","","","","6","C m c e","-C 2ac 2","64","","iPr-POCOP-Pt-o-CB","","- C20 H42 B10 O2 P2 Pt -","- C20 H42 B10 O2 P2 Pt -","- C160 H336 B80 O16 P16 Pt8 -","8","0.5","","Cao, Bula; Ding, Yazhou; Fang, Fei; Chang, Jiarui; Zhang, Jie; Li, Shujun; Chen, Xuenian","The stability of group 10 metal POCOP pincer complexes: decomposition/reconstruction pathways of the pincer backbone.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13760","13768","10.1039/c9dt02825k","","x-ray","1.54184","CuKα","","0.0266","0.023","","","0.0531","0.0553","","","","","","1.042","","","","has coordinates,has disorder","223354","2020-10-21","18:00:00",""
"7702020","13.867","0.003","18.913","0.004","30.893","0.007","90","","90","","90","","8102","3","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C12 H52 N6 O29 V10 -","- C12 H40 N6 O29 V10 -","- C96 H320 N48 O232 V80 -","8","0.5","","Pradhan, Mukul; Roy, Anindita; Sinha, Arun Kumar; Sahoo, Ramkrishna; Deb, Dibakar; Pal, Tarasankar","Solid-state transformation of single precursor vanadium complex nanostructures to V₂O₅ and VO₂: catalytic activity of V₂O₅ for oxidative coupling of 2-naphthol.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1889","1899","10.1039/c4dt02863e","","","0.71073","MoKα","","0.0881","0.0409","","","0.0955","0.1148","","","","","","1.021","","","","has coordinates","232799","2020-10-21","18:00:00",""
"7702030","28.4774","0.0005","9.4694","0.0001","18.8921","0.0003","90","","90","","90","","5094.52","0.13","300","","300","","","","","","","","","6","C m c e","-C 2ac 2","64","CuBP-bpy","","","- C16 H25 Cu2 N2 O15 P3 -","- C16 H11 Cu2 N2 O15 P3 -","- C128 H88 Cu16 N16 O120 P24 -","8","0.5","","Kondo, Atsushi; Satomi, Tokuya; Azuma, Kanami; Takeda, Rie; Maeda, Kazuyuki","New layered copper 1,3,5-benzenetriphosphonates pillared with N-donor ligands: their synthesis, crystal structures, and adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12717","12725","10.1039/c5dt01137j","powder diffraction","","0.99752","synchrotron","","0.01657","","","","","","0.01524","0.03183","0.7117","","","","","","","has coordinates","233435","2020-10-21","18:00:00",""
"7702031","33.7186","0.0011","7.9481","0.0003","20.591","0.0005","90","","90","","90","","5518.4","0.3","173","","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C18 H19 Cu2 N2 O15 P3 -","- C18 H19 Cu2 N2 O15 P3 -","- C144 H152 Cu16 N16 O120 P24 -","8","0.5","","Kondo, Atsushi; Satomi, Tokuya; Azuma, Kanami; Takeda, Rie; Maeda, Kazuyuki","New layered copper 1,3,5-benzenetriphosphonates pillared with N-donor ligands: their synthesis, crystal structures, and adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12717","12725","10.1039/c5dt01137j","","","1.54187","CuKα","","0.0464","0.0445","","","0.1153","0.1164","","","","","","1.145","","","","has coordinates","233435","2020-10-21","18:00:00",""
"7702059","24.226","0.002","20.495","0.002","12.7686","0.0012","90","","90","","90","","6339.8","1","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C26 H20 Co N6 O6 S -","- C26 H20 Co N6 O6 S -","- C208 H160 Co8 N48 O48 S8 -","8","0.5","","Yan, Wei; Hao, Han; Zheng, Hegen","Four coordination polymers derived from a one-pot reaction and their controlled synthesis.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6418","6423","10.1039/c6dt00349d","","","0.71073","MoKα","","0.0618","0.0469","","","0.1453","0.154","","","","","","1.093","","","","has coordinates","234721","2020-10-21","18:00:00",""
"7702098","10.4725","0.0008","7.2592","0.0005","22.5009","0.0012","90","","90","","90","","1710.6","0.2","100","2","100","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C4 H12 Cl8 Nb2 Se2 -","- C4 H12 Cl8 Nb2 Se2 -","- C16 H48 Cl32 Nb8 Se8 -","4","0.25","","Chang, Yao-Pang; Levason, William; Light, Mark E.; Reid, Gillian","Niobium tetrachloride complexes with thio-, seleno- and telluro-ether coordination - synthesis and structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16262","16274","10.1039/c6dt02979e","","","0.71073","MoKα","","0.0391","0.0291","","","0.0603","0.0638","","","","","","1.089","","","","has coordinates","234753","2020-10-21","18:00:00",""
"7702121","11.6943","0.0005","13.8151","0.0005","14.4745","0.0006","90","","90","","90","","2338.47","0.16","100","2","100","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C14 H30 B18 Co2 -","- C14 H30 B18 Co2 -","- C56 H120 B72 Co8 -","4","0.25","","Thiripuranathar, Gobika; Chan, Antony P. Y.; Mandal, Dipendu; Man, Wing Y.; Argentari, Mario; Rosair, Georgina M.; Welch, Alan J.","Double deboronation and homometalation of 1,1'-bis(ortho-carborane).","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1811","1821","10.1039/c6dt04457c","","x-ray","0.71073","MoKα","","0.0224","0.0216","","","0.0585","0.0591","","","","","","1.087","","","","has coordinates,has disorder","234765","2020-10-21","18:00:00",""
"7702139","24.0303","0.0003","15.93","0.0002","17.5507","0.0003","90","","90","","90","","6718.45","0.17","153","2","153","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C30 H26 Cl2 F3 Ir N6 O3 S -","- C29 H24 F3 Ir N6 O3 S -","- C232 H192 F24 Ir8 N48 O24 S8 -","8","0.5","","Wu, Na; Cao, Jian-Jun; Wu, Xiao-Wen; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Iridium(iii) complexes with five-membered heterocyclic ligands for combined photodynamic therapy and photoactivated chemotherapy.","Dalton transactions (Cambridge, England : 2003)","2017","46","39","13482","13491","10.1039/c7dt02477k","","","1.54178","CuKα","","0.0837","0.078","","","0.2275","0.2401","","","","","","1.074","","","","has coordinates","235647","2020-10-21","18:00:00",""
"7702174","7.5041","0.0015","24.658","0.005","7.4996","0.0015","90","","90","","90","","1387.7","0.5","293","2","293","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C8 Cd2 Cl12 N4 -","- C8 Cd2 Cl12 N4 -","- C16 Cd4 Cl24 N8 -","2","0.125","","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","","0.0943","0.074","","","0.2072","0.2258","","","","","","1.079","","","","has coordinates","236825","2020-10-21","18:00:00",""
"7702884","21.641","0.004","22.294","0.004","9.5986","0.0019","90","","90","","90","","4631","1.5","100","","100","","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C20 H21 Cl2 Fe N9 O -","- C20 H21 Cl2 Fe N9 O -","- C160 H168 Cl16 Fe8 N72 O8 -","8","0.5","","Morin, Tyler J.; Wanniarachchi, Sarath; Gwengo, Chengeto; Makura, Vitales; Tatlock, Heidi M.; Lindeman, Sergey V.; Bennett, Brian; Long, Gary J.; Grandjean, Fernande; Gardinier, James R.","Pyrazolyl methyls prescribe the electronic properties of iron(II) tetra(pyrazolyl)lutidine chloride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","8024","8034","10.1039/c1dt10712g","","","0.7107","MoKα","","0.0278","0.0234","","","0.0663","0.0678","","","","","","1.096","","","","has coordinates,has disorder","244150","2020-10-21","18:00:00",""
"7704029","24.0057","0.0012","24.6946","0.0013","8.5544","0.0004","90","","90","","90","","5071.1","0.4","299","2","299","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C23 H16 N3 O5 Zn -","- C23 H16 N3 O5 Zn -","- C184 H128 N24 O40 Zn8 -","8","0.5","","Li, Jingyang; He, Ying; Wang, Li; Pan, Qinhe; Song, Zhiguang; Shi, Xiaodong","Design and synthesis of photoluminescent active interpenetrating metal-organic frameworks using N-2-aryl-1,2,3-triazole ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5429","5433","10.1039/d0dt00933d","","","0.71073","MoKα","","0.0484","0.0433","","","0.1403","0.1427","","","","","","1.224","","","","has coordinates","252753","2020-10-21","18:00:00",""
"7705394","22.84","0.005","25.399","0.005","16.261","0.003","90","","90","","90","","9433","3","200","","200","","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C36.36 H38.71 Cl0.71 Cu F6 N2 O4 Sb -","- C36.357 H38.712 Cl0.714 Cu F6 N2 O4 Sb -","- C290.856 H309.696 Cl5.712 Cu8 F48 N16 O32 Sb8 -","8","0.5","","Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F.","Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12990","13002","10.1039/d0dt02524k","","x-ray","1.54184","CuKα","","0.0671","0.0571","","","0.1801","0.1934","","","","","","1.125","","","","has coordinates,has disorder","257507","2020-10-21","18:00:00",""
"7706116","16.2797","0.0011","19.2139","0.0011","20.2982","0.0014","90","","90","","90","","6349.2","0.7","135","2","135","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C28 H40 B Cl2 F4 N2 P -","- C28 H40 B Cl2 F4 N2 P -","- C224 H320 B8 Cl16 F32 N16 P8 -","8","0.5","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.0936","0.0699","","","0.1937","0.2139","","","","","","1.03","","","","has coordinates,has disorder","259993","2020-12-19","03:23:30",""
"7706152","9.6028","0.0012","20.805","0.002","19.776","0.003","90","","90","","90","","3951","0.9","93","2","93","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H20 I10 N12 O2 Pb3 -","- C8 H20 I10 N12 O2 Pb3 -","- C32 H80 I40 N48 O8 Pb12 -","4","0.25","","Guo, Yuan-Yuan; Yang, Lin-Jie; McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip","Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17274","17280","10.1039/d0dt02936j","","","0.71075","MoKα","","0.0159","0.0151","","","0.0336","0.0338","","","","","","1.18","","","","has coordinates","260001","2020-12-19","03:33:35",""
"7707226","26.2183","0.0007","23.5289","0.001","15.3542","0.0005","90","","90","","90","","9471.8","0.6","100","2","100","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C36 H28 Co2 N2 O16 -","- C36 H28 Co2 N2 O16 -","- C288 H224 Co16 N16 O128 -","8","0.5","","Winterlich, Meghan; McHugh, Darragh; O'Toole, Evan; Skordi, Katerina; O'Malley, Ciaran; Sanii, Rana; Tasiopoulos, Anastasios; Erxleben, Andrea; Mayans, Júlia; Morrison, Liam; McArdle, Patrick; Zaworotko, Michael J.; Tylianakis, Emmanuel; Froudakis, George; Papatriantafyllopoulou, Constantina","Expanding the NUIG MOF family: synthesis and characterization of new MOFs for selective CO<sub>2</sub> adsorption, metal ion removal from aqueous systems, and drug delivery applications.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6997","7006","10.1039/d1dt00940k","","","1.54184","CuKα","","0.0832","0.0675","","","0.1973","0.2108","","","","","","1.078","","","","has coordinates","266041","2021-06-05","18:41:20",""
"7709363","29.633","0.014","18.58","0.009","19.796","0.01","90","","90","","90","","10899","9","296","2","296.15","","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C78 H108 Ag12 F18 N6 O12 S6 -","- C78 H110 Ag12 F17.996 N6 O12 S6 -","- C312 H440 Ag48 F71.984 N24 O48 S24 -","4","0.25","","Hu, Lei; Sheng, Ming-Ming; Qin, Shun-Shun; Shi, Hua-Tian; Strømme, Maria; Zhang, Qian-Feng; Xu, Chao","Molecular surface modification of silver chalcogenolate clusters.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3241","3247","10.1039/d2dt00016d","","","0.71073","MoKα","","0.0446","0.0286","","","0.06","0.0672","","","","","","1.015","","","","has coordinates,has disorder","273374","2022-03-04","22:15:29",""
"7709681","42.797","0.011","27.103","0.007","23.411","0.006","90","","90","","90","","27155","12","193","2","193","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C56 H36 N6 O12 Zn3 -","- C58 H36 N4 O12 Zn3 -","- C464 H288 N32 O96 Zn24 -","8","0.5","","Zhang, Xiuling; Li, Tingting; Wei, Jiao; Tian, Gao-Hua; Cao, Qing-Ling; Wang, Yu-Jie; Hou, Wen-Li; Zhou, Wen-Feng; Zhang, Zhen-Wei; Hu, Hui; Zhang, Yong-Zheng; Zhang, Da-Shuai; Li, Qing; Geng, Longlong","Interpenetrated metal–organic frameworks with enhanced photoluminescence for selective recognition of m-xylene from xylene isomers","Dalton Transactions","2022","","","","","10.1039/D1DT03968G","","","0.71073","MoKα","","0.1115","0.0821","","","0.232","0.2718","","","","","","1.054","","","","has coordinates","273515","2022-03-07","23:52:14",""
"7713059","33.2596","0.0004","20.8631","0.0003","22.6682","0.0003","90","","90","","90","","15729.4","0.4","150","0.1","150","0.1","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C113.68 H208.26 Cr8 F12 N4.64 O39.38 Zn2 -","- C113.756 H208.792 Cr8 F12.0008 N4.64 O39.404 Zn2 -","- C455.024 H835.168 Cr32 F48.0032 N18.56 O157.616 Zn8 -","4","0.25","","Alotaibi, Rajeh; Booth, Amy; Little, Edmund; Brookfield, Adam; Achari, Amritroop; Lockyer, Selena J.; Timco, Grigore A.; Whitehead, George F. S.; Vitórica-Yrezábal, Iñigo J; Chilton, Nicholas F.; Nair, Rahul R.; Collison, David; Winpenny, Richard E. P.","Synthesis and characterization of heterometallic rings templated through alkylammonium or imidazolium cations.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00982c","","x-ray","1.54184","CuKα","","0.0651","0.049","","","0.1428","0.1562","","","","","","1.036","","","","has coordinates,has disorder","283840","2023-05-17","23:01:58",""
"7713079","10.3231","0.0006","14.4461","0.0009","15.2624","0.001","90","","90","","90","","2276.1","0.2","100","0.1","100","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C22 H32 N4 O2 Zn2 -","- C22 H32 N4 O2 Zn2 -","- C88 H128 N16 O8 Zn8 -","4","0.25","","Ghosh, Kowsik; Ovchinnikov, Alexander; Baitinger, Michael; Krnel, Mitja; Burkhardt, Ulrich; Grin, Yuri; Bobev, Svilen","Lithium metal atoms fill vacancies in the germanium network of a type-I clathrate: Synthesis and structural characterization of Ba8Li5Ge41","Dalton Transactions","2023","","","","","10.1039/D3DT01168B","","","0.71073","MoKα","","0.062","0.0331","","","0.0511","0.0579","","","","","","1.056","","","","has coordinates,has disorder","283841","2023-05-17","23:06:10",""
"7713143","10.3231","0.0006","14.4461","0.0009","15.2624","0.001","90","","90","","90","","2276.1","0.2","100","0.1","100","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C22 H32 N4 O2 Zn2 -","- C22 H32 N4 O2 Zn2 -","- C88 H128 N16 O8 Zn8 -","4","0.25","","Théron, Benjamin; Vaillant-Coindard, Valentin; Balan, Cédric; Rousselin, Yoann; Bayardon, Jérôme; Malacea-Kabbara, Raluca; Le Gendre, Pierre","Al and Zn phenoxy-amidine complexes for lactide ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01216f","","","0.71073","MoKα","","0.062","0.0331","","","0.0511","0.0579","","","","","","1.056","","","","has coordinates,has disorder","283949","2023-05-22","23:01:48",""
"7713262","13.7215","0.0003","35.1471","0.0008","19.2775","0.0005","90","","90","","90","","9297","0.4","295.9","0.3","295.9","0.3","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C26 H19 Cu3 N O15 -","- C26 H19 Cu3 N O15 -","- C208 H152 Cu24 N8 O120 -","8","0.5","","Li, Shi-Ming; Jiang, Hong-Chan; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian","A linker conformation induced metal–organic framework with high stability and efficient upgrading of natural gas","Dalton Transactions","2023","","","","","10.1039/D3DT00979C","","x-ray","1.54184","CuKα","","0.0873","0.0789","","","0.2797","0.2931","","","","","","1.11","","","","has coordinates","284612","2023-06-29","10:48:54",""
"7713551","34.992","0.005","17.836","0.005","21.716","0.005","90","0.005","90","0.005","90","0.005","13553","5","100","","100","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C24 H25 N5 O4 Zn -","- C24 H25 N5 O4 Zn -","- C384 H400 N80 O64 Zn16 -","16","1","","Gupta, Mayank; Daoo, Varad; Singh, Jayant K.","Amine decorated MOF for Direct Capture of CO2 from Ambient Air","Dalton Transactions","2023","","","","","10.1039/D3DT01455J","","x-ray","0.71069","MoKα","","0.1525","0.0948","","","0.2696","0.3174","","","","","","1.033","","","","has coordinates","285312","2023-07-21","22:52:41",""
"7713968","28.807","0.0012","28.1264","0.0012","7.3819","0.0003","90","","90","","90","","5981.1","0.4","100","2","100","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C9 H11 Cl Cu2 O10 -","- C9 H11 Cl Cu2 O10 -","- C144 H176 Cl16 Cu32 O160 -","16","1","","Ali, Arif; ., Waris; Basri, Basri; Khan, Mohammad Zain; Dege, Necmi; Ahmad, Musheer; Shahid, M.","Bifunctional Cu(II)-based 2D Coordination Polymer and its Composite for High Performance Photocatalysis and Electrochemical Energy Storage","Dalton Transactions","2023","","","","","10.1039/D3DT01691A","","","0.71073","MoKα","","0.0692","0.0555","","","0.1406","0.1534","","","","","","1.0902","","","","has coordinates","286364","2023-09-15","22:56:44",""
"7714163","26.4044","0.0008","35.6894","0.0011","17.4068","0.0005","90","","90","","90","","16403.4","0.9","273","2","273","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C23 H14 Cu N O5 -","- C23 H14 Cu N O5 -","- C368 H224 Cu16 N16 O80 -","16","1","","Yu, Xueyue; Huang, Ziyang; Krishna, Rajamani; Luo, Xiaolong; Liu, Yunling","An Ethynyl-Modified Interpenetrated Metal-Organic Framework for Highly Efficient Selective Gas Adsorption","Dalton Transactions","2023","","","","","10.1039/D3DT02834H","","","0.71073","MoKα","","0.0837","0.0489","","","0.1452","0.1758","","","","","","1.011","","","","has coordinates,has disorder","286846","2023-10-07","22:50:03",""
"8103697","15.34","","7.608","","16.651","","90","","90","","90","","1943.28","","","","","","","","","","","","","4","C m c e","-C 2ac 2","64","","Tl2 Mn As2 S5","","- As2 Mn S5 Tl2 -","- As2 Mn S5 Tl2 -","- As16 Mn8 S40 Tl16 -","8","0.5","","Gostojic, M.; Edenharter, A.; Nowacki, W.; Engel, P.","The crystal structure of synthetic Tl2 Mn As2 S5","Zeitschrift fuer Kristallographie (149,1979-)","1982","158","","43","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","287588","2023-11-14","18:05:45",""
"8104394","7.65","","18.048","","29.635","","90","","90","","90","","4091.62","","","","","","","","","","","","","3","C m c e","-C 2ac 2","64","","K (Ga Sb2)","","- Ga K Sb2 -","- Ga K Sb2 -","- Ga32 K32 Sb64 -","32","2","","Cordier, G.; Ochmann, H.","Crystal structure of potassium phyllo-diantimonidodigallate","Zeitschrift fuer Kristallographie (149,1979-)","1991","197","","297","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104406","15.0315","","14.487","","12.5184","","90","","90","","90","","2726.02","","","","","","","","","","","","","2","C m c e","-C 2ac 2","64","","Ta6 I14","","- I14 Ta6 -","- I14 Ta6 -","- I56 Ta24 -","4","0.25","","Artelt, H.M.; Meyer, G.","Crystal structure of tantalum iodide (6/14)","Zeitschrift fuer Kristallographie (149,1979-)","1993","206","","306","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"8104426","11.537","","9.694","","11.245","","90","","90","","90","","1257.64","","","","","","","","","","","","","4","C m c e","-C 2ac 2","64","","K H (Si O3)","","- H K O3 Si -","- H K O3 Si -","- H16 K16 O48 Si16 -","16","1","","Dent Glasser, L.S.; Howie, R.A.; Xi Yaozhong","A re-investigation of the crystal structure of potassium hydrogen metasilicate, K H Si O3","Zeitschrift fuer Kristallographie (149,1979-)","1984","168","","307","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104471","19.764","","6.784","","14.871","","90","","90","","90","","1993.89","","","","","","","","","","","","","3","C m c e","-C 2ac 2","64","","K3 (In2 As3)","","- As3 In2 K3 -","- As3 In2 K3 -","- As24 In16 K24 -","8","0.5","","Cordier, G.; Ochmann, H.","Crystal structure of tripotassium phyllo-triarsenidoindate","Zeitschrift fuer Kristallographie (149,1979-)","1991","197","","295","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"8105655","16.477","0.01","10.008","0.006","24.201","0.015","90","","90","","90","","3991","4","296","2","296.15","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C20 H48 Cl10 Cu8 N8 -","- C20 H48 Cl10 Cu8 N8 -","- C80 H192 Cl40 Cu32 N32 -","4","0.25","","Xing, Zheng; Yin, Heng-Bo","Crystal structure of (1,4-diazepane)4CuII 2(μ-Cl)10CuI 6, C20H48Cl10Cu8N8","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","391","392","10.1515/ncrs-2018-0185","","","0.71073","MoKα","","0.0595","0.0364","","","0.0723","0.0798","","","","","","1.026","","","","has coordinates","276564","2022-07-05","08:23:13",""
"8106979","9.6661","0.0008","7.3063","0.0006","19.327","0.0015","90","","90","","90","","1364.94","0.19","173","2","173","2","","","","","","","","5","C m c e","-C 2ac 2","64","","4,4'bipiperidinium dichloride 0.12 hydrate","","- C10 H22.24 Cl2 N2 O0.12 -","- C10 H22.24 Cl2 N2 O0.12 -","- C40 H88.96 Cl8 N8 O0.48 -","4","0.25","","Socha, Paweƚ; Dobrzycki, Lukasz","Crystal structure of 4,4′-bipiperidinium dichloride 0.12 hydrate, C10H22N2Cl2 · 0.12 H2O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","693","694","10.1515/ncrs-2015-0234","","","0.71073","MoKα","","0.0448","0.0359","","","0.0947","0.1009","","","","","","1.066","","","","has coordinates","282041","2023-03-24","09:59:30",""
"9000626","14.33","","17.354","","10.164","","90","","90","","90","","2527.61","","","","","","","","","","","","","5","C m c e","-C 2ac 2","64","","","Zektzerite","- Li Na O15 Si6 Zr -","- Li Na O15 Si6 Zr -","- Li8 Na8 O120 Si48 Zr8 -","8","0.5","","Ghose, S.; Wan, C.","Zektzerite, NaLiZrSi6O15: a silicate with six-tetrahedral-repeat double chains Locality: Miarolitic cavities of the Golden Horn batholith near Washington Pass, North Cascades, Washington, USA","American Mineralogist","1978","63","","304","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:26",""
"9000770","18.59","","8.789","","12.04","","90","","90","","90","","1967.19","","","","","","","","","","","","","6","C m c e","-C 2ac 2","64","","","Kolicite","- As2 H8 Mn7 O24 Si2 Zn4 -","- As2 H8 Mn7 O24 Si2 Zn4 -","- As8 H32 Mn28 O96 Si8 Zn16 -","4","0.25","","Peacor, D. R.","The crystal structure of kolicite, Mn7(OH)4[As2Zn4Si2O16(OH)4]","American Mineralogist","1980","65","","483","487","","","","","","","","","","","","","","","","","","","","","","has coordinates","287588","2023-11-14","18:05:45",""
"9003998","7.0494","","17.55","","12.734","","90","","90","","90","","1575.41","","","","","","","","","","","","","6","C m c e","-C 2ac 2","64","","","Oursinite","- Co0.8 H14 Mg0.2 O18 Si2 U2 -","- Co0.8 H14 Mg0.2 O18 Si2 U2 -","- Co3.2 H56 Mg0.8 O72 Si8 U8 -","4","0.25","","Kabatko, K. A.; Burns, P. C.","A novel arrangement of silicate tetrahedra in the uranyl silicate sheet of oursinite, (Co0.8Mg0.2)[(UO2)(SiO3OH)]2(H2O)6","American Mineralogist","2006","91","","333","336","10.2138/am.2006.1613","","","","","","","","","","","","","","","","","","","","","has coordinates","287588","2023-11-14","18:05:45",""
"9007372","5.2389","","9.2803","","13.4406","","90","","90","","90","","653.463","","","","","","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- O5 Si2 Sr -","- O5 Si2 Sr -","- O40 Si16 Sr8 -","8","0.5","","Kojitani, H.; Kido, M.; Akaogi, M.","Rietveld analysis of a new high-pressure strontium silicate SrSi2O5 BaGe2O5 III-type structure","Physics and Chemistry of Minerals","2005","32","","290","294","10.1007/s00269-005-0467-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007685","5.943","","11.263","","8.164","","90","","90","","90","","546.466","","","","","","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- As2 Ni3 O8 -","- As2 Ni3 O8 -","- As8 Ni12 O32 -","4","0.25","","Barbier, J.; Frampton, C.","Structures of orthorhombic and monoclinic Ni3(AsO4)2 Note: AnisoU's taken from ICSD Note: polymorph of xanthiosite","Acta Crystallographica, Section B","1991","47","4","457","462","10.1107/S0108768191002987","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007985","10.898","","21.521","","6.623","","90","","90","","90","","1553.33","","","","","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- As4 Fe3 K3 O16 -","- As4 Fe3 K3 O16 -","- As16 Fe12 K12 O64 -","4","0.25","","Ouerfelli, N.; Zid, M. F.; Jouini, T.","Compose a charpente bidimensionnelle K3Fe3(AsO4)4","Acta Crystallographica, Section E","2005","61","","i67","i69","10.1107/S1600536805008998","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008085","4.523","","7.661","","4.524","","90","","90","","90","","156.76","","","","","","","","","","","","","1","C m c e","-C 2ac 2","64","","","Gallium","- Ga -","- Ga -","- Ga8 -","8","0.5","","Sharma, B. D.; Donohue, J.","A refinement of the crystal structure of gallium","Zeitschrift fur Kristallographie","1962","117","","293","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008989","6.736","","7.001","","6.479","","90","","90","","90","","305.541","","","","","","","","","","","","","2","C m c e","-C 2ac 2","64","","","","- K2 O2 -","- K2 O2 -","- K8 O8 -","4","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Potassium peroxide","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009483","6.928","","10.445","","13.501","","90","","90","","90","","976.972","","","","","","","","","","","","","6","C m c e","-C 2ac 2","64","","","Eosphorite","- Al Fe0.2 H4 Mn0.8 O7 P -","- Al Fe0.2 H4 Mn0.8 O7 P -","- Al8 Fe1.6 H32 Mn6.4 O56 P8 -","8","0.5","","Hoyos, M. A.; Calderon, T.; Vergara, I.; Garcia-Sole J","New structural and spectroscopic data for eosphorite Locality: Taquaral, Brazil","Mineralogical Magazine","1993","57","","329","336","10.1180/minmag.1993.057.387.16","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9011554","14.31","","17.28","","10.11","","90","","90","","90","","2499.97","","","","","","","","","","","","","4","C m c e","-C 2ac 2","64","","","Tuhualite","- Fe2 Na O15 Si6 -","- Fe2 Na O15 Si6 -","- Fe16 Na8 O120 Si48 -","8","0.5","","Merlino, S.","Tuhualite crystal structure Locality: Mayor Island, New Zealand Note: Position of H2O not determined in paper","Science","1969","166","","1399","1401","10.1126/science.166.3911.1399","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:44",""
"9011641","11.205","","6.626","","6.595","","90","","90","","90","","489.641","","","","","","","","12000000","","","","","1","C m c e","-C 2ac 2","64","Cesium","","","- Cs -","- Cs -","- Cs16 -","16","1","","Schwarz, U.; Takemura, K.; Hanfland, M.; Syassen, K.","Crystal structure of cesium-V Locality: synthetic Sample: at P = 12 GPa Note: phase V","Physical Review Letters","1998","81","","2711","2714","10.1103/PhysRevLett.81.2711","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011642","10.879","","6.443","","6.389","","90","","90","","90","","447.827","","","","","","","","19600000","","","","","1","C m c e","-C 2ac 2","64","Cesium","","","- Cs -","- Cs -","- Cs16 -","16","1","","Schwarz, U.; Takemura, K.; Hanfland, M.; Syassen, K.","Crystal structure of cesium-V Locality: synthetic Sample: at P = 19.6 GPa Note: phase V","Physical Review Letters","1998","81","","2711","2714","10.1103/PhysRevLett.81.2711","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011643","10.641","","6.278","","6.249","","90","","90","","90","","417.459","","","","","","","","25800000","","","","","1","C m c e","-C 2ac 2","64","Cesium","","","- Cs -","- Cs -","- Cs16 -","16","1","","Schwarz, U.; Takemura, K.; Hanfland, M.; Syassen, K.","Crystal structure of cesium-V Locality: synthetic Sample: at P = 25.8 GPa Note: phase V","Physical Review Letters","1998","81","","2711","2714","10.1103/PhysRevLett.81.2711","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011644","8.0242","","4.7961","","4.776","","90","","90","","90","","183.804","","","","","","","","38400000","","","","","1","C m c e","-C 2ac 2","64","Silicon","","","- Si -","- Si -","- Si16 -","16","1","","Hanfland, M.; Schwarz, U.; Syassen, K.; Takemura, K.","Crystal structure of the high-pressure phase silicon VI Locality: synthetic Sample: at P = 38.4 GPa Note: phase VI","Physical Review Letters","1999","82","","1197","1200","10.1103/PhysRevLett.82.1197","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011645","7.9686","","4.7759","","4.7546","","90","","90","","90","","180.947","","","","","","","","42500000","","","","","1","C m c e","-C 2ac 2","64","Silicon","","","- Si -","- Si -","- Si16 -","16","1","","Hanfland, M.; Schwarz, U.; Syassen, K.; Takemura, K.","Crystal structure of the high-pressure phase silicon VI Locality: synthetic Sample: at P = 42.5 GPa Note: phase VI","Physical Review Letters","1999","82","","1197","1200","10.1103/PhysRevLett.82.1197","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011646","7.92","","4.7586","","4.7361","","90","","90","","90","","178.495","","","","","","","","45500000","","","","","1","C m c e","-C 2ac 2","64","Silicon","","","- Si -","- Si -","- Si16 -","16","1","","Hanfland, M.; Schwarz, U.; Syassen, K.; Takemura, K.","Crystal structure of the high-pressure phase silicon VI Locality: synthetic Sample: at P = 45.5 GPa Note: phase VI","Physical Review Letters","1999","82","","1197","1200","10.1103/PhysRevLett.82.1197","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012486","3.3133","","10.473","","4.374","","90","","90","","90","","151.779","","","","","","","","","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012487","3.3121","","10.408","","4.35","","90","","90","","90","","149.955","","","","","","","","410000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = .41 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012488","3.3105","","10.363","","4.335","","90","","90","","90","","148.72","","","","","","","","710000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = .71 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012489","3.3109","","10.319","","4.317","","90","","90","","90","","147.491","","","","","","","","1020000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.02 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012490","3.3109","","10.209","","4.302","","90","","90","","90","","145.412","","","","","","","","1270000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.27 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012491","3.3116","","10.26","","4.289","","90","","90","","90","","145.727","","","","","","","","1510000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.51 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012492","3.3114","","10.233","","4.278","","90","","90","","90","","144.962","","","","","","","","1730000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.73 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012493","3.3111","","10.215","","4.266","","90","","90","","90","","144.288","","","","","","","","1930000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.93 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012494","3.3114","","10.189","","4.254","","90","","90","","90","","143.529","","","","","","","","2160000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 2.16 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012495","3.3117","","10.158","","4.243","","90","","90","","90","","142.736","","","","","","","","2430000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 2.43 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012496","3.312","","10.14","","4.229","","90","","90","","90","","142.025","","","","","","","","2660000","","","","","1","C m c e","-C 2ac 2","64","Phosphorus","","","- P -","- P -","- P8 -","8","0.5","","Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.","Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 2.66 GPa Note: pressures calculated from the measured unit cell volume","Journal of Chemical Physics","1979","71","","1718","1721","10.1063/1.438523","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012499","3.3199","","10.3678","","4.3154","","90","","90","","90","","148.536","","","","1100","","","","1200000","","","","","1","C m c e","-C 2ac 2","64","","","Phosphorus","- P -","- P -","- P8 -","8","0.5","","Crichton, W. A.; Mezouar, M.; Monaco, G.; Falconi, S.","Phosphorus: new in situ powder data from large-volume apparatus Locality: synthetic Sample: at P = 1.2 GPa and T = 1100 K","Powder Diffraction","2003","18","","155","158","10.1154/1.1545115","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9013109","7.886","","4.656","","4.667","","90","","90","","90","","171.359","","","","","","","","135000000","","","","","1","C m c e","-C 2ac 2","64","Germanium","","","- Ge -","- Ge -","- Ge16 -","16","1","","Takemura, K.; Schwarz, U.; Syassen, K.; Christensen, N. E.; Hanfland, M.; Novikov, D. L.; Loa, I.","High-pressure structures of Ge above 100 GPa Locality: sytnthetic Sample: at P = 135 GPa Note: structure theoretically calculated based on experimental data","Physica Status Solidi B","2001","223","","385","390","10.1002/1521-3951(200101)223:2<385::AID-PSSB385>3.0.CO;2-E","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013116","6.5672","","4.4678","","8.6938","","90","","90","","90","","255.084","","","","5","","","","","","","","","1","C m c e","-C 2ac 2","64","Bromine","","","- Br2 -","- Br2 -","- Br8 -","4","0.25","","Powell, B. M.; Heal, K. M.; Torrie, B. H.","The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 5 K","Molecular Physics","1984","53","","929","939","10.1080/00268978400102741","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013117","6.5982","","4.4933","","8.7014","","90","","90","","90","","257.976","","","","80","","","","","","","","","1","C m c e","-C 2ac 2","64","Bromine","","","- Br2 -","- Br2 -","- Br8 -","4","0.25","","Powell, B. M.; Heal, K. M.; Torrie, B. H.","The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 80 K","Molecular Physics","1984","53","","929","939","10.1080/00268978400102741","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013118","6.6567","","4.5541","","8.7068","","90","","90","","90","","263.949","","","","170","","","","","","","","","1","C m c e","-C 2ac 2","64","Bromine","","","- Br2 -","- Br2 -","- Br8 -","4","0.25","","Powell, B. M.; Heal, K. M.; Torrie, B. H.","The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 170 K","Molecular Physics","1984","53","","929","939","10.1080/00268978400102741","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013119","6.7265","","4.6451","","8.7023","","90","","90","","90","","271.906","","","","250","","","","","","","","","1","C m c e","-C 2ac 2","64","Bromine","","","- Br2 -","- Br2 -","- Br8 -","4","0.25","","Powell, B. M.; Heal, K. M.; Torrie, B. H.","The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 250 K","Molecular Physics","1984","53","","929","939","10.1080/00268978400102741","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013120","6.1453","","4.3954","","8.1537","","90","","90","","90","","220.24","","","","22","","","","","","","","","1","C m c e","-C 2ac 2","64","Chlorine","","","- Cl2 -","- Cl2 -","- Cl8 -","4","0.25","","Powell, B. M.; Heal, K. M.; Torrie, B. H.","The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 22 K","Molecular Physics","1984","53","","929","939","10.1080/00268978400102741","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013121","6.1804","","4.4174","","8.1711","","90","","90","","90","","223.082","","","","55","","","","","","","","","1","C m c e","-C 2ac 2","64","Chlorine","","","- Cl2 -","- Cl2 -","- Cl8 -","4","0.25","","Powell, B. M.; Heal, K. M.; Torrie, B. H.","The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 55 K","Molecular Physics","1984","53","","929","939","10.1080/00268978400102741","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013122","6.2235","","4.4561","","8.1785","","90","","90","","90","","226.811","","","","100","","","","","","","","","1","C m c e","-C 2ac 2","64","Chlorine","","","- Cl2 -","- Cl2 -","- Cl8 -","4","0.25","","Powell, B. M.; Heal, K. M.; Torrie, B. H.","The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 100 K","Molecular Physics","1984","53","","929","939","10.1080/00268978400102741","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013123","6.2929","","4.5361","","8.1617","","90","","90","","90","","232.978","","","","160","","","","","","","","","1","C m c e","-C 2ac 2","64","Chlorine","","","- Cl2 -","- Cl2 -","- Cl8 -","4","0.25","","Powell, B. M.; Heal, K. M.; Torrie, B. H.","The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 160 K","Molecular Physics","1984","53","","929","939","10.1080/00268978400102741","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013688","6.893","","11.939","","28.635","","90","","90","","90","","2356.53","","","","","","","","","","","","","3","C m c e","-C 2ac 2","64","","","Pyrrhotite","- Fe17.574 Ni0.24 S20 -","- Fe17.574 Ni0.24 S20 -","- Fe70.296 Ni0.96 S80 -","4","0.25","","de Villiers, J. P. R.; Liles, D. C.; Becker, M.","The crystal structure of a naturally occurring 5C pyrrhotite from Sudbury, its chemistry, and vacancy distribution Locality: Copper Cliff North Mine, Sudbury, Canada","American Mineralogist","2009","94","","1405","1410","10.2138/am.2009.3081","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013785","6.2499","","8.7479","","19.9554","","90","","90","","90","","1091.03","","","","","","","","","","","","","8","C m c e","-C 2ac 2","64","","","Ercitite","- Al0.01 Ca0.04 Fe0.43 H5 Mn0.6 Na0.89 O7 P -","- Al0.01 Ca0.04 Fe0.43 H5 Mn0.6 Na0.89 O7 P -","- Al0.08 Ca0.32 Fe3.44 H40 Mn4.8 Na7.12 O56 P8 -","8","0.5","","Cooper, M. A.; Hawthorne, F. C.; Cerny, P.","The crystal structure of ercitite, Na2(H2O)4[Mn3+2(OH)2(PO4)2], and its relation to bermanite, Mn2+(H2O)4[Mn3+2(OH)2(PO4)2] Locality: Tanco granitic pegmatite, Bernic Lake, southeastern Manitoba, Canada","The Canadian Mineralogist","2009","47","","173","180","10.3749/canmin.47.1.173","","","","","","","","","","","","","","","","","","","","","has coordinates","287588","2023-11-14","18:05:46",""
"9016935","6.9263","","10.4356","","13.5234","","90","","90","","90","","977.473","","","","20","","","","","","","","Chamachhu, Skarda district, Baltistan, Pakistan","6","C m c e","-C 2ac 2","64","","","Eosphorite","- Al Fe0.056 H3.994 Mn0.943 O7 P -","- Al8 Fe0.452 H31.952 Mn7.548 O56 P8 -","- Al8 Fe0.452 H31.952 Mn7.548 O56 P8 -","","","","Diego Gatta, G.; Nenert, G.; Vignola, P.","Coexisting hydroxyl groups and H2O molecules in minerals: A single-crystal neutron diffraction study of eosphorite, MnAlPO4(OH)2*H2O Note: T = 20 K","American Mineralogist","2013","98","","1297","1301","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:52:47",""
"9017537","10.5049","","20.482","","6.3574","","90","","90","","90","","1367.87","","","","","","","","","","","","Synthetic","5","C m c e","-C 2ac 2","64","","","Ozerovaite","- Al3 As4 K0.92 Na2.08 O16 -","- Al12 As16 K3.68 Na8.32 O64 -","- Al12 As16 K3.68 Na8.32 O64 -","","","","Ben Yahia, H.; Nilges, T.; Rodewald, U. C.; Pottgen, R.","New arsenates (V) NaKAl2O(AsO4)2 and Na2KAl3(AsO4)4","Materials Research Bulletin","2010","45","","2017","2023","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:01:03",""