# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T11:49:21+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 4/n :2' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1100494","16.798","0.001","16.798","0.001","8.997","0.001","90","","90","","90","","2538.71","","","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C56 H40 Cl I4 P -","- C56 Cl I4 P -","- C112 Cl2 I8 P2 -","2","0.25","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Komplexe von Halogenid-Ionen mit 1-Halogen-2-phenylacetylenen. Kristallstrukturen von PPh~4~[X(I‒C≡C‒Ph)~4~] mit X = Cl, Br, I, von PPh~4~[Br(Br‒C≡C‒Ph)~4~] und von NMe~4~[F(I‒C≡C‒Ph)~2~]","Chemische Berichte","1996","129","1","115","120","10.1002/cber.19961290121","","","","","","","","","","","","","","","","","","","","","has coordinates","177577","2020-10-21","18:00:00",""
"1100495","16.807","0.001","16.807","0.001","9.015","0.001","90","","90","","90","","2546.51","","","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C56 H40 Br I4 P -","- C56 H40 Br I4 P -","- C112 H80 Br2 I8 P2 -","2","0.25","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Komplexe von Halogenid-Ionen mit 1-Halogen-2-phenylacetylenen. Kristallstrukturen von PPh~4~[X(I‒C≡C‒Ph)~4~] mit X = Cl, Br, I, von PPh~4~[Br(Br‒C≡C‒Ph)~4~] und von NMe~4~[F(I‒C≡C‒Ph)~2~]","Chemische Berichte","1996","129","1","115","120","10.1002/cber.19961290121","","","","","","","","","","","","","","","","","","","","","has coordinates","177577","2020-10-21","18:00:00",""
"1100496","17.02","0.01","17.02","0.01","9.881","0.001","90","","90","","90","","2862.33","","","","","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C56 H40 I5 P -","- C56 H40 I5 P -","- C112 H80 I10 P2 -","2","0.25","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Komplexe von Halogenid-Ionen mit 1-Halogen-2-phenylacetylenen. Kristallstrukturen von PPh~4~[X(I‒C≡C‒Ph)~4~] mit X = Cl, Br, I, von PPh~4~[Br(Br‒C≡C‒Ph)~4~] und von NMe~4~[F(I‒C≡C‒Ph)~2~]","Chemische Berichte","1996","129","1","115","120","10.1002/cber.19961290121","","","","","","","","","","","","","","","","","","","","","has coordinates","177577","2020-10-21","18:00:00",""
"1501790","32.6146","0.0019","32.6146","0.0019","41.178","0.005","90","","90","","90","","43802","6","85","2","85","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C447 H394 O12 Si8 -","- C447 H394 O12 Si8 -","- C1788 H1576 O48 Si32 -","4","0.5","","Roll, Mark F.; Kampf, Jeffrey W.; Laine, Richard M.","Crystalline Hybrid Polyphenylene Macromolecules from Octaalkynylsilsesquioxanes, Crystal Structures, and a Potential Route to 3-D Graphenes","Macromolecules","2011","44","9","3425","","10.1021/ma200081q","","","0.71073","MoKα","","0.1385","0.1193","","","0.3056","0.3139","","","","","","1.971","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503379","24.029","0.003","24.029","0.003","11.095","0.002","90","","90","","90","","6406.2","1.6","163","2","163","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C37.25 H30.5 Cl2.5 F2 S Si -","- C37.25 H30.5 Cl2.5 F2 S Si -","- C298 H244 Cl20 F16 S8 Si8 -","8","1","","Kim, Youngmin; Kim, Mieock; Gabbaï, François P","Synthesis and anion affinity of a bidendate sulfonium fluorosilane Lewis acid.","Organic letters","2010","12","3","600","602","10.1021/ol902641v","","","0.71073","MoKα","","0.1032","0.0649","","","0.1359","0.1703","","","","","","1.001","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504432","19.4608","0.001","19.4608","0.001","13.794","0.0009","90","","90","","90","","5224.1","0.5","110","2","110","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C46 H78 Ca2 Cl2 N4 O4 -","- C46 H78 Ca2 Cl2 N4 O4 -","- C184 H312 Ca8 Cl8 N16 O16 -","4","0.5","","Darensbourg, Donald J.; Choi, Wonsook; Karroonnirun, Osit; Bhuvanesh, Nattamai","Ring-Opening Polymerization of Cyclic Monomers by Complexes Derived from Biocompatible Metals. Production of Poly(lactide), Poly(trimethylene carbonate), and Their Copolymers","Macromolecules","2008","41","10","3493","","10.1021/ma800078t","","","1.54178","CuKα","","0.0985","0.0675","","","0.1659","0.1753","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508832","21.4407","0.0004","21.4407","0.0004","15.4535","0.0003","90","","90","","90","","7104","0.2","120","2","120","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C56 H120 O12 Si8 -","- C56 H120 O12 Si8 -","- C224 H480 O48 Si32 -","4","0.5","","El Aziz, Youssef; Bassindale, Alan R.; Taylor, Peter G.; Stephenson, Richard A.; Hursthouse, Michael B.; Harrington, Ross W.; Clegg, William","X-ray Crystal Structures, Packing Behavior, and Thermal Stability Studies of a Homologous Series ofn-Alkyl-Substituted Polyhedral Oligomeric Silsesquioxanes","Macromolecules","2013","46","3","988","","10.1021/ma302229v","","","0.71073","MoKα","","0.0981","0.0519","","","0.0973","0.1173","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508835","26.4815","0.0005","26.4815","0.0005","15.6221","0.0005","90","","90","","90","","10955.3","0.5","120","2","120","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C40 H88 O12 Si8 -","- C40 H88 O12 Si8 -","- C320 H704 O96 Si64 -","8","1","","El Aziz, Youssef; Bassindale, Alan R.; Taylor, Peter G.; Stephenson, Richard A.; Hursthouse, Michael B.; Harrington, Ross W.; Clegg, William","X-ray Crystal Structures, Packing Behavior, and Thermal Stability Studies of a Homologous Series ofn-Alkyl-Substituted Polyhedral Oligomeric Silsesquioxanes","Macromolecules","2013","46","3","988","","10.1021/ma302229v","","","0.71073","MoKα","","0.1519","0.0898","","","0.1982","0.239","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1509211","6.6995","","6.6995","","4.0116","","90","","90","","90","","180.054","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","(Ag F) (B F4)","","- Ag B F5 -","- Ag B F5 -","- Ag2 B2 F10 -","2","0.25","","Bartlett, N.; Hagiwara, R.; Lucier, G.; Borrmann, H.; Casteel, W.J.jr.","Structural and magnetic properties of some (Ag F)(+) salts","Journal of Solid State Chemistry","1992","96","","84","96","10.1016/S0022-4596(05)80300-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509263","8.197","","8.197","","6.257","","90","","90","","90","","420.413","","","","","","","","","","","","","4","P 4/n :2","-P 4a","85","","Ag Pb4 O4 Cl","","- Ag Cl O4 Pb4 -","- Ag Cl O4 Pb4 -","- Ag2 Cl2 O8 Pb8 -","2","0.25","","Riebe, H.J.; Keller, H.L.","Die Kristallstruktur von AgPb4O4Cl, eine kuriose Variante des Blei(II)-oxid-Strukturtyps","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","566","","62","70","10.1002/zaac.19885660109","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509958","11.091","","11.091","","8.523","","90","","90","","90","","1048.42","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","Cs Ag7 S4","","- Ag7 Cs S4 -","- Ag7 Cs S4 -","- Ag28 Cs4 S16 -","4","0.5","","Huster, J.","Darstellung und Struktur der silberreichen Alkalimetallsilbersulfide, Cs Ag7 S4 und Rb Ag7 S4","Journal of Alloys Compd.","1992","183","","377","384","10.1016/0925-8388(92)90759-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509967","11.001","","11.001","","8.511","","90","","90","","90","","1030.02","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","Rb Ag7 S4","","- Ag7 Rb S4 -","- Ag7 Rb S4 -","- Ag28 Rb4 S16 -","4","0.5","","Huster, J.","Darstellung und Struktur der silberreichen Alkalimetallsilbersulfide, Cs Ag7 S4 und Rb Ag7 S4","Journal of Alloys Compd.","1992","183","","377","384","10.1016/0925-8388(92)90759-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513657","21.0482","0.0014","21.0482","0.0014","21.648","0.003","90","","90","","90","","9590.6","1.6","143","2","143","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C21 H18 Cl1.5 N1.5 O24 V6 -","- C21 H18 Cl1.5 N1.5 O24 V6 -","- C168 H144 Cl12 N12 O192 V48 -","8","1","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks","Chemical Science","2014","5","3","927","","10.1039/c3sc53099j","","","0.71073","MoKα","","0.1681","0.0842","","","0.2089","0.2371","","","","","","1.042","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515237","22.546","0.004","22.546","0.004","7.1203","0.0013","90","","90","","90","","3619.4","1.1","123","2","123","2","","","","","","","","4","P 4/n :2","-P 4a","85","(indolo)(benzo)borole","(indolo)(benzo)borole","","- C24 H22 B N -","- C24 H22 B N -","- C192 H176 B8 N8 -","8","1","","Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro","Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton?","Chemical Science","2012","3","5","1461","","10.1039/c2sc20100c","","","0.7107","MoKα","","0.0614","0.0597","","","0.1343","0.1355","","","","","","1.152","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515645","13.3667","0.0017","13.3667","0.0017","10.7152","0.0013","90","","90","","90","","1914.5","0.4","100","2","100","2","","","","","","","","7","P 4/n :2","-P 4a","85","xwf23a","","","- C26 H52 Cl4 Fe N6 O4 Re -","- C26 H52 Cl4 Fe N6 O4 Re -","- C52 H104 Cl8 Fe2 N12 O8 Re2 -","2","0.25","","Feng, Xiaowen; David Harris, T.; Long, Jeffrey R.","Influence of structure on exchange strength and relaxation barrier in a series of FeIIReIV(CN)2 single-chain magnets","Chemical Science","2011","2","9","1688","","10.1039/c1sc00220a","","","0.71073","MoKα","","0.0341","0.0291","","","0.0731","0.0764","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517698","6.3873","0.001","6.3873","0.001","4.1037","0.0008","90","","90","","90","","167.42","0.05","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","Niobium Oxide Phosphate","","- Nb O5 P -","- Nb O5 P -","- Nb2 O10 P2 -","2","0.25","","Longo, J.M.; Kierkegaard, P.","The Crystal Structure of Nb O P O4","Acta Chemica Scandinavica","1966","20","","72","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517720","6.3907","0.0004","6.3907","0.0004","4.1042","0.0006","90","","90","","90","","167.62","0.03","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","Niobium Oxide Phosphate","","- Nb O5 P -","- Nb O5 P -","- Nb2 O10 P2 -","2","0.25","","Kaiser, U.; Schmidt, G.; Glaum, R.; Gruehn, R.","Beitraege zum thermischen Verhalten wasserfreier Phosphate. VII: Darstellung, Struktur und thermisches Verhalten von orthorhombischem NbPO5-d","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","607","","113","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517722","6.3898","","6.3898","","4.1055","","90","","90","","90","","167.626","","","","298.15","","","","","","","","","3","P 4/n :2","-P 4a","85","","Niobium Oxide Phosphate(V)","","- Nb O5 P -","- Nb O5 P -","- Nb2 O10 P2 -","2","0.25","","Amos, T.G.; Yokochi, A.; Sleight, A.W.","Phase transition and negative thermal expansion in tetragonal Nb O P O4","Journal of Solid State Chemistry","1998","141","","303","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517723","6.3957","","6.3957","","4.1056","","90","","90","","90","","167.939","","","","373.15","","","","","","","","","3","P 4/n :2","-P 4a","85","","Niobium Oxide Phosphate(V)","","- Nb O5 P -","- Nb O5 P -","- Nb2 O10 P2 -","2","0.25","","Amos, T.G.; Yokochi, A.; Sleight, A.W.","Phase transition and negative thermal expansion in tetragonal Nb O P O4","Journal of Solid State Chemistry","1998","141","","303","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517724","6.4038","","6.4038","","4.1175","","90","","90","","90","","168.853","","","","448.15","","","","","","","","","3","P 4/n :2","-P 4a","85","","Niobium Oxide Phosphate(V)","","- Nb O5 P -","- Nb O5 P -","- Nb2 O10 P2 -","2","0.25","","Amos, T.G.; Yokochi, A.; Sleight, A.W.","Phase transition and negative thermal expansion in tetragonal Nb O P O4","Journal of Solid State Chemistry","1998","141","","303","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517737","6.4048","0.0004","6.4048","0.0004","4.1087","0.0002","90","","90","","90","","168.545","0.017","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","Niobium Oxide Phosphate(V)","","- Nb O5 P -","- Nb O5 P -","- Nb2 O10 P2 -","2","0.25","","Trubach, I.G.; Orlova, A.I.; Beskrovnyi, A.I.; Koryttseva, A.K.; Zharinova, M.V.; Kurazhkovskaya, V.S.; Lipatova, E.V.","New phosphate Fe0.5 Nb1.5 (P O4)3 with an electrically neutral framework. Synthesis and crystal structure","Crystallography Reports","2004","49","","396","400","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1521235","8.61","","8.61","","5.743","","90","","90","","90","","425.741","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","Eu2 (Re O5)","","- Eu2 O5 Re -","- Eu2 O5 Re -","- Eu8 O20 Re4 -","4","0.5","","Jeitschko, W.; Heumannskaemper, D.H.; Schriewer-Poettgen, M.S.; Rodewald, U.C.","Preparation, crystal structures, and properties of rhenates with multiple Re - Re bonds: Ln2 Re O5 (Ln = Sm, Eu, Gd), Ln3 Re2 O9 (Ln = Pr, Nd, Sm), and Ln4 Re6 O19 (Ln = La Nd)","Journal of Solid State Chemistry","1999","147","","218","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521237","8.588","","8.588","","5.696","","90","","90","","90","","420.101","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","Gd2 (Re O5)","","- Gd2 O5 Re -","- Gd2 O5 Re -","- Gd8 O20 Re4 -","4","0.5","","Jeitschko, W.; Heumannskaemper, D.H.; Rodewald, U.C.; Schriewer-Poettgen, M.S.","Preparation, crystal structures, and properties of rhenates with multiple Re - Re bonds: Ln2 Re O5 (Ln = Sm, Eu, Gd), Ln3 Re2 O9 (Ln= Pr, Nd, Sm), and Ln4 Re6 O19 (Ln = La - Nd)","Journal of Solid State Chemistry","1999","147","","218","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521640","8.653","","8.653","","5.739","","90","","90","","90","","429.704","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","Eu2 Re O5","","- Eu2 O5 Re -","- Eu2 O5 Re -","- Eu8 O20 Re4 -","4","0.5","","Mujica, C.; Gutierrez, D.; Llanos, J.; Cardoso, R.","Synthesis and crystal structure of Eu2 Re O5, a complex oxide with Re - Re pairs in a tetragonal antiprismatic coordination","Journal of Alloys Compd.","2000","307","","127","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521682","8.379","","8.379","","5.259","","90","","90","","90","","369.222","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","Sr (V4 O9)","","- O9 Sr V4 -","- O9 Sr V4 -","- O18 Sr2 V8 -","2","0.25","","Oka, Y.; Yao, T.; Maegawa, S.; Yamamoto, N.; Ueda, M.","Synthesis and crystal structure of Sr V4 O9 in a metastable state","Journal of Solid State Chemistry","2000","149","","414","418","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528845","11.633","","11.633","","7.155","","90","","90","","90","","968.262","","","","","","","","","","","","","2","P 4/n :2","-P 4a","85","","Sr Br2","","- Br2 Sr -","- Br2 Sr -","- Br20 Sr10 -","10","1.25","","Sass, R.L.; Brackett, T.E.; Brackett, E.B.","The crystal structure of strontium bromide","Journal of Physical Chemistry","1963","67","","2862","2863","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529941","15.799","","15.799","","11.917","","90","","90","","90","","2974.58","","","","","","","","","","","","","10","P 4/n :2","-P 4a","85","","(Ca15.48 Ce3.52) (Mg4 Ti2.88 Fe0.8) (Al2.16 Fe1.84) (Fe.86 Cu0.14) (Si17.5 Al0.5 O68) O3 (O H)7","","- Al2.66 Ca15.48 Ce3.52 Cu0.14 Fe3.5 H7 Mg4 O78 Si17.5 Ti2.88 -","- Al2.66 Ca15.48 Ce3.52 Cu0.14 Fe3.5 Mg4 O78 Si17.5 Ti2.88 -","- Al5.32 Ca30.96 Ce7.04 Cu0.28 Fe7 Mg8 O156 Si35 Ti5.76 -","2","0.25","","Fitzgerald, S.; Leavens, P.B.; Rheingold, A.L.; Nelen, J.A.","Crystal strucure of a REE-bearing vesuvianite from San Benito County, California","American Mineralogist","1987","72","","625","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530554","19.19","","19.19","","8.01","","90","","90","","90","","2949.73","","","","","","","","","","","","","4","P 4/n :2","-P 4a","85","","(S7 Br)4 S4 (As F6)6","","- As6 Br4 F36 S32 -","- As6 Br4 F36 S32 -","- As12 Br8 F72 S64 -","2","0.25","","Passmore, J.; Wong, C.-M.; Sutherland, G.W.; Whidden, T.K.; White, P.S.","The preparation of S7 Br M F6 (M=As,Sb), and the preparation and crystal structure of (S7 Br)4 S4 (As F6)6 containing the bromo-cycloheptasulphur (1+) cation","Canadian Journal of Chemistry","1985","63","","1209","1214","","","","","","","","","","","","","","","","","","","","","","has coordinates","155684","2020-10-21","18:00:00",""
"1531971","23.488","","23.488","","6.7857","","90","","90","","90","","3743.58","","","","","","","","","","","","","4","P 4/n :2","-P 4a","85","","K8 (U O2)8 (Mo O5)3 O6","","- K8 Mo3 O37 U8 -","- K8 Mo3 O37 U8 -","- K32 Mo12 O148 U32 -","4","0.5","","Obbade, S.; Yagoubi, S.; Dion, C.; Saadi, M.; Abraham, F.","Synthesis, crystal structure and electrical characterization of two new potassium uranyl molybdates K2 (U O2)2 (Mo O4) O2 and K8 (U O2)8 (Mo O5)3 O6","Journal of Solid State Chemistry","2003","174","","19","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","157581","2020-10-21","18:00:00",""
"1534368","9.22","","9.22","","7.44","","90","","90","","90","","632.462","","","","","","","","","","","","","2","P 4/n :2","-P 4a","85","","P Cl5","","- Cl5 P -","- Cl5 P -","- Cl20 P4 -","4","0.5","","Clark, D.; Powell, H.M.; Wells, A.F.","The crystal structure of phosphorus pentachloride","Journal of the Chemical Society","1942","1942","","642","645","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535424","11.615","","11.615","","7.133","","90","","90","","90","","962.3","","","","","","","","","","","","","2","P 4/n :2","-P 4a","85","","Sr Br2","","- Br2 Sr -","- Br2 Sr -","- Br20 Sr10 -","10","1.25","","Hodorowicz, S.A.; Eick, H.A.","An X-rRay diffraction study of the Sr Brx I2-x system","Journal of Solid State Chemistry","1983","46","","313","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535426","11.635","","11.635","","7.142","","90","","90","","90","","966.836","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","Sr Br1.95 I.05","","- Br1.95 I0.05 Sr -","- Br1.9504 I0.0496 Sr -","- Br19.504 I0.496 Sr10 -","10","1.25","","Hodorowicz, S.A.; Eick, H.A.","An X-Ray Diffraction Study of the Sr Brx I2-x System","Journal of Solid State Chemistry","1983","46","","313","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535428","11.677","","11.677","","7.174","","90","","90","","90","","978.192","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","Sr Br1.90 I.10","","- Br1.9 I0.1 Sr -","- Br1.9008 I0.1008 Sr -","- Br19.008 I1.008 Sr10 -","10","1.25","","Hodorowicz, S.A.; Eick, H.A.","An X-Ray Diffraction Study of the Sr Brx I2-x System","Journal of Solid State Chemistry","1983","46","","313","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535430","11.706","","11.706","","7.18","","90","","90","","90","","983.879","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","Sr Br1.85 I.15","","- Br1.85 I0.15 Sr -","- Br1.8496 I0.1504 Sr -","- Br18.496 I1.504 Sr10 -","10","1.25","","Hodorowicz, S.A.; Eick, H.A.","An X-Ray Diffraction Study of the Sr Brx I2-x System","Journal of Solid State Chemistry","1983","46","","313","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535433","11.722","","11.722","","7.195","","90","","90","","90","","988.631","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","Sr Br1.80 I.20","","- Br1.8 I0.2 Sr -","- Br1.8 I0.2 Sr -","- Br18 I2 Sr10 -","10","1.25","","Hodorowicz, S.A.; Eick, H.A.","An X-Ray Diffraction Study of the Sr Brx I2-x System","Journal of Solid State Chemistry","1983","46","","313","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535436","11.75","","11.75","","7.208","","90","","90","","90","","995.154","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","Sr Br1.75 I.25","","- Br1.75 I0.25 Sr -","- Br1.7504 I0.2496 Sr -","- Br17.504 I2.496 Sr10 -","10","1.25","","Hodorowicz, S.A.; Eick, H.A.","An X-Ray Diffraction Study of the Sr Brx I2-x System","Journal of Solid State Chemistry","1983","46","","313","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535439","11.775","","11.775","","7.224","","90","","90","","90","","1001.61","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","Sr Br1.70 I.30","","- Br1.7 I0.3 Sr -","- Br1.7 I0.3 Sr -","- Br17 I3 Sr10 -","10","1.25","","Hodorowicz, S.A.; Eick, H.A.","An X-Ray Diffraction Study of the Sr Brx I2-x System","Journal of Solid State Chemistry","1983","46","","313","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535442","11.828","","11.828","","7.251","","90","","90","","90","","1014.43","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","Sr Br1.60 I.40","","- Br1.6 I0.4 Sr -","- Br1.6 I0.4 Sr -","- Br16 I4 Sr10 -","10","1.25","","Hodorowicz, S.A.; Eick, H.A.","An X-Ray Diffraction Study of the Sr Brx I2-x System","Journal of Solid State Chemistry","1983","46","","313","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535952","7.406","","7.406","","5.386","","90","","90","","90","","295.416","","","","","","","","","","","","","4","P 4/n :2","-P 4a","85","","Rb (Al (N H2)4)","","- Al H8 N4 Rb -","- Al H8 N4 Rb -","- Al2 H16 N8 Rb2 -","2","0.25","","Jacobs, H.; Jaenichen, K.","Darstellung und Kristallstruktur von Tetraamidoaluminaten des Rubidiums und Caesiums, Rb (Al (N H2)4) und Cs (Al (N H2)4)","Journal of the Less-Common Metals","1990","159","","315","325","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535955","7.563","","7.563","","5.354","","90","","90","","90","","306.243","","","","","","","","","","","","","4","P 4/n :2","-P 4a","85","","Cs (Al (N H2)4)","","- Al Cs H8 N4 -","- Al Cs H8 N4 -","- Al2 Cs2 H16 N8 -","2","0.25","","Jacobs, H.; Jaenichen, K.","Darstellung und Kristallstruktur von Tetraamidoaluminaten des Rubidiums und Caesiums, Rb (Al (N H2)4) und Cs (Al (N H2)4)","Journal of the Less-Common Metals","1990","159","","315","325","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535988","6.6078","","6.6078","","4.2646","","90","","90","","90","","186.205","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","(V O) Mo O4","","- Mo O5 V -","- Mo O5 V -","- Mo2 O10 V2 -","2","0.25","","Eick, H.A.; Kihlborg, L.","The Crystal Structure of V O Mo O4","Acta Chemica Scandinavica (1-27,1973-42,1988)","1966","20","","722","729","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536187","10.297","","10.297","","9.228","","90","","90","","90","","978.428","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","Ce9 Sb5 O5","","- Ce9 O5 Sb5 -","- Ce9 O5 Sb5 -","- Ce18 O10 Sb10 -","2","0.25","","Nuss, J.; von Schnering, H.G.; Grin', Yu.","Ueber die Antimonidoxide La9 Sb5 O5 und Ce9 Sb5 O5 sowie die binaeren Phasen La2 Sb und Ce2 Sb","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2287","2291","","","","","","","","","","","","","","","","","","","","","","has coordinates","163813","2020-10-21","18:00:00",""
"1536190","10.415","","10.415","","9.34","","90","","90","","90","","1013.13","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","La9 Sb5 O5","","- La9 O5 Sb5 -","- La9 O5 Sb5 -","- La18 O10 Sb10 -","2","0.25","","Nuss, J.; von Schnering, H.G.; Grin', Yu.","Ueber die Antimonidoxide La9 Sb5 O5 und Ce9 Sb5 O5 sowie die binaeren Phasen La2 Sb und Ce2 Sb","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2287","2291","","","","","","","","","","","","","","","","","","","","","","has coordinates","163817","2020-10-21","18:00:00",""
"1536491","4.088","","4.088","","16.672","","90","","90","","90","","278.618","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","Nd0.6 Gd0.4 Se1.839","","- Gd0.4 Nd0.6 Se1.839 -","- Gd0.4 Nd0.6 Se1.8387 -","- Gd0.8 Nd1.2 Se3.6774 -","2","0.25","","Doert, T.; Tsinde, B.P.F.; Lidin, S.; Garcia Garcia, F.J.","Site occupancy wave and charge density wave in the modulated structure of Nd0.6 Gd0.4 Se1.85","Journal of Solid State Chemistry","2004","177","","1598","1606","","","","","","","","","","","","","","","","","","","","","","has coordinates","164214","2020-10-21","18:00:00",""
"1536938","6.1356","","6.1356","","13.8232","","90","","90","","90","","520.382","","","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","(Xe O Te F5) (As F6)","","- As F11 O Te Xe -","- As F11 O Te Xe -","- As2 F22 O2 Te2 Xe2 -","2","0.25","","Fir, B.A.; Mercier, H.P.A.; Dixon, D.A.; Sanders, J.C.P.; Schrobilgen, G.J.D.","Structural and theoretical studies of Xe (O Ch F5)2 and (Xe O Ch F5) (As F6) (Ch = Se, Te)","Journal of Fluorine Chemistry","2001","110","","89","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536940","6.1195","","6.1195","","13.0315","","90","","90","","90","","488.007","","","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","(Xe O Se F5) (As F6)","","- As F11 O Se Xe -","- As F11 O Se Xe -","- As2 F22 O2 Se2 Xe2 -","2","0.25","","Fir, B.A.; Mercier, H.P.A.; Schrobilgen, G.J.D.; Sanders, J.C.P.; Dixon, D.A.","Structural and theoretical studies of Xe (O Ch F5)2 and (Xe O Ch F5) (As F6) (Ch = Se, Te)","Journal of Fluorine Chemistry","2001","110","","89","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538496","9.22","","9.22","","7.44","","90","","90","","90","","632.462","","","","","","","","","","","","","2","P 4/n :2","-P 4a","85","","P Cl5","","- Cl5 P -","- Cl5 P -","- Cl20 P4 -","4","0.5","","Preiss, H.","Strukturverfeinerung und Untersuchung der thermischen Schwingungen am festen Phosphor(V)-chlorid","Zeitschrift fuer Anorganische und Allgemeine Chemie","1971","380","","51","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538500","8.75","","8.75","","6.23","","90","","90","","90","","476.984","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- As Cl2 F3 -","- As Cl2 F3 -","- As4 Cl8 F12 -","4","0.5","","Preiss, H.","Kristallstrukturanalyse des As Cl2 F3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1971","380","","45","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1544937","14.2293","0.0002","14.2293","0.0002","14.5334","0.0004","90","","90","","90","","2942.62","0.1","100","2","100","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C60 H58 Br4 Cl4 N6 -","- C60 H58 Br4 Cl4 N6 -","- C120 H116 Br8 Cl8 N12 -","2","0.25","","Díaz-Moscoso, Alejandro; Hernández-Alonso, Daniel; Escobar, Luis; Arroyave, Frank A.; Ballester, Pablo","Stereoselective Synthesis of Lower and Upper Rim Functionalized Tetra-α Isomers of Calix[4]pyrroles.","Organic letters","2017","19","1","226","229","10.1021/acs.orglett.6b03505","","","0.7107","MoKα","","0.0408","0.0342","","","0.0948","0.0989","","","","","","1.034","","","","has coordinates","191398","2020-10-21","18:00:00",""
"1549306","30.0936","0.0007","30.0936","0.0007","39.3554","0.0013","90","","90","","90","","35641.2","1.7","190","1","190","1","","","","","","","","6","P 4/n :2","-P 4a","85","","cluster-1","","- C366 H508 Cd24 N24 O178 Tb8 -","- C366 H508 Cd24 N24 O178 Tb8 -","- C732 H1016 Cd48 N48 O356 Tb16 -","2","0.25","","Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A.","A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging.","Chemical science","2018","9","20","4630","4637","10.1039/c8sc00650d","","","0.71073","MoKα","","0.1763","0.0639","","","0.185","0.2384","","","","","","0.918","","","","has coordinates","228762","2020-10-21","18:00:00",""
"1551693","21.3695","0.0018","21.3695","0.0018","9.6278","0.0012","90","","90","","90","","4396.6","0.8","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C42 H44 N6 O8 Rh2 -","- C42.08 H44.16 N6 O8 Rh2 -","- C168.32 H176.64 N24 O32 Rh8 -","4","0.5","","MIKURIYA, Masahiro; YAMAMOTO, Junya; OUCHI, Kazuya; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto","Synthesis and Crystal Structure of a Chain Complex of Rhodium(II) Benzoate and 1,4-Diazabicyclo[2.2.2]octane Having an N2-Adsorption Property","X-ray Structure Analysis Online","2013","29","0","45","","10.2116/xraystruct.29.45","","","0.71073","MoKα","","0.095","0.0417","","","0.072","0.0825","","","","","","0.873","","","","has coordinates","216304","2020-10-21","18:00:00",""
"1554598","34.21","0.005","34.21","0.005","27.215","0.005","90","","90","","90","","31850","9","100","2","100","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C531.5 H392.25 F48 N82.25 Ni8 O53.25 S16 Zn6 -","- C524.876 H388.726 F28.2 N82.25 Ni8 O33.45 S9.4 Zn6 -","- C1049.75 H777.452 F56.4 N164.5 Ni16 O66.9 S18.8 Zn12 -","2","0.25","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","0.6889","Synchrotron","","0.1394","0.121","","","0.3372","0.3532","","","","","","1.053","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1554600","34.3","0.005","34.3","0.005","27.428","0.006","90","","90","","90","","32269","10","100","2","100","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C543 H406 Co8 F48 N83.5 O53.75 S16 Zn6 -","- C538.8 H401.5 Co8 F35.4 N83.5 O41.15 S11.8 Zn6 -","- C1077.6 H803 Co16 F70.8 N167 O82.3 S23.6 Zn12 -","2","0.25","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","0.6889","Synchrotron","","0.1197","0.1019","","","0.3039","0.3215","","","","","","1.078","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1556724","12.704","0.002","12.704","0.002","12.678","0.002","90","","90","","90","","2046.1","0.6","100","","100","","","","","","","","","4","P 4/n :2","-P 4a","85","","Au4Pt2(S-isopropyl)8","","- C24 Au4 Pt2 S8 -","- C24 Au4 Pt2 S8 -","- C48 Au8 Pt4 S16 -","2","0.25","","Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi","Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters","Materials Horizons","2020","7","3","796","803","10.1039/C9MH01691K","","x-ray","0.71073","MoKα","","0.0587","0.0531","","","0.1483","0.1515","","","","","","1.138","","","","has coordinates,has disorder","258158","2020-10-21","18:00:00",""
"1557214","27.4933","0.0011","27.4933","0.0011","5.8624","0.0002","90","","90","","90","","4431.3","0.3","193","2","193","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C29 H21 N -","- C29 H21 N -","- C232 H168 N8 -","8","1","","Li, Ye-Xin; Chen, You-Gui; Yu, Zhen-Feng; Yang, Xiao-Feng; Nie, Yong; Cui, Yu; Sun, Guo-Xin","Polymorph-Dependent Multicolor-Switchable Mechanofluorochromism of 1-(9-Anthryl)vinyl-3-(3-pyridyl)vinylbenzene: Molecular Conformation versus Intermolecular Interaction","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11180","","","1.34139","GaKα","","0.0676","0.0515","","","0.1395","0.1539","","","","","","1.026","","","","has coordinates","247505","2020-10-21","18:00:00",""
"1557531","13.699","0.0007","13.699","0.0007","9.5293","0.0005","90","","90","","90","","1788.29","0.16","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C21 Al F36 N O10 W -","- C21 Al F36 N O10 W -","- C42 Al2 F72 N2 O20 W2 -","2","0.25","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0236","0.0235","","","0.0734","0.0735","","","","","","1.126","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557533","13.759","0.0006","13.759","0.0006","9.5821","0.0007","90","","90","","90","","1813.99","0.17","373","2","373","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C22 Al F36 Mo O10 -","- C22 Al F36 Mo O10 -","- C44 Al2 F72 Mo2 O20 -","2","0.25","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0412","0.038","","","0.0932","0.0951","","","","","","1.114","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557535","13.7152","0.0003","13.7152","0.0003","9.5418","0.0003","90","","90","","90","","1794.88","0.08","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C21 Al F36 Mo N O10 -","- C21 Al F36 Mo N O10 -","- C42 Al2 F72 Mo2 N2 O20 -","2","0.25","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0242","0.0226","","","0.0555","0.0565","","","","","","1.029","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1558131","26.429","0.002","26.429","0.002","7.867","0.0007","90","","90","","90","","5495","0.8","110","","110","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C28 H24 Cl N2 O5 -","- C28 H24 Cl N2 O5 -","- C224 H192 Cl8 N16 O40 -","8","1","","Duan, Wen-Di; Zhang, Yu-Fang; Hu, Youhong","NaH Promoted One-Pot Tandem Reactions of 3-(1-Alkynyl) Chromones to Form 2-Nitrogen-Substituted Xanthones","ACS Omega","2020","5","22","13454","13461","10.1021/acsomega.0c01930","","","0.71073","MoKα","","0.1561","0.0746","","","0.1877","0.2393","","","","","","1.048","","","","has coordinates","282777","2023-04-20","11:56:52",""
"1563112","11.6042","0.0001","11.6042","0.0001","7.1306","0.0001","90","","90","","90","","960.188","0.018","","","","","","","","","","","","2","P 4/n :2","-P 4a","85","","Strontium bromide - alpha","","- Br2 Sr -","- Br2 Sr -","- Br20 Sr10 -","10","1.25","","Hull, Stephen; Norberg, Stefan T.; Ahmed, Istaq; Eriksson, Sten G.; Mohn, Chris E.","High temperature crystal structures and superionic properties of SrCl2, SrBr2, BaCl2 and BaBr2","Journal of Solid State Chemistry","2011","184","11","2925","2935","10.1016/j.jssc.2011.09.004","","","","","","0.0147","","","","","","","","","","","","","","","has coordinates","265709","2021-06-03","08:10:44",""
"1565076","18.5171","0.0001","18.5171","0.0001","7.067","0.0001","90","","90","","90","","2423.15","0.04","100","2","100","2","","","","","","","","4","P 4/n :2","-P 4a","85","","tetrakis(4-dihydroxyborylphenyl)adamantane acetone pentasolvate","","- C49 H66 B4 O13 -","- C49 H66 B4 O13 -","- C98 H132 B8 O26 -","2","0.25","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","","1.54178","CuKα","","0.0947","0.0958","","","0.1964","0.197","","","","","","1.214","","","","has coordinates,has disorder","271178","2021-12-07","03:09:06",""
"1565077","18.8442","0.0015","18.8442","0.0015","7.0478","0.0006","90","","90","","90","","2502.7","0.4","100","2","100","0.1","","","","","","","","5","P 4/n :2","-P 4a","85","","tetrakis(4-dihydroxyborylphenyl)adamantane dimethyl sulfoxide pentasolvate","","- C44 H60 B4 O13 S5 -","- C44 H60 B4 O13 S5 -","- C88 H120 B8 O26 S10 -","2","0.25","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","x-ray","1.54184","CuKα","","0.1317","0.1168","","","0.2442","0.2522","","","","","","1.205","","","","has coordinates","271178","2021-12-07","03:09:07",""
"1565080","18.7776","0.0003","18.7776","0.0003","7.0172","0.0003","90","","90","","90","","2474.25","0.12","100","2","95","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis(4-dihydroxyborylphenyl)adamantane acetonitrile monosolvate dimethyl sulfoxide tetrasolvate","","- C43 H61.5 B4 N0.5 O12 S4 -","- C43 H61.5 B4 N0.5 O12 S4 -","- C86 H123 B8 N O24 S8 -","2","0.25","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","","1.54178","CuKα","","0.1126","0.0825","","","0.2422","0.2699","","","","","","1.055","","","","has coordinates,has disorder","271178","2021-12-07","03:09:07",""
"1565081","16.1648","0.0015","16.1648","0.0015","7.1212","0.0012","90","","90","","90","","1860.8","0.4","100","2","100.01","0.1","","","","","","","","5","P 4/n :2","-P 4a","85","","tetrakis(4-(hydroxymetoxy)borylphenyl)adamantane urea cocrystal","","- C19.5 H24 B2 N O4.5 -","- C19.5 H24 B2 N O4.5 -","- C78 H96 B8 N4 O18 -","4","0.5","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","x-ray","1.54184","CuKα","","0.1946","0.1508","","","0.3939","0.4235","","","","","","1.114","","","","has coordinates,has disorder","271178","2021-12-07","03:09:07",""
"1565193","23.6142","0.0013","23.6142","0.0013","18.337","0.002","90","","90","","90","","10225.3","1.4","295","","295","","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C41 H39 Cl1.25 F12 Fe N11 O2 P2 -","- C41 H39 Cl1.25 F12 Fe N11 O2 P2 -","- C328 H312 Cl10 F96 Fe8 N88 O16 P16 -","8","1","","Lindh, Linnea; Gordivska, Olga; Persson, Samuel; Michaels, Hannes; Fan, Hao; Chabera, Pavel; Rosemann, Nils W.; Gupta, Arvind Kumar; Benesperi, Iacopo; Uhlig, Jens; Prakash, Om; Sheibani, Esmaeil; Kjær, Kasper Skov; Boschloo, Gerrit; Yartsev, Arkady; Freitag, Marina; Lomoth, Reiner; Persson, Petter; Wärnmark, Kenneth","Dye-Sensitized Solar Cells based on Fe N-heterocyclic Carbene Photosensitizers with Improved Rod-like Push-Pull Functionality","Chemical Science","2021","","","","","10.1039/D1SC02963K","","","0.71073","MoKα","","0.2442","0.1417","","","0.2967","0.3565","","","","","","1.039","","","","has coordinates","270602","2021-11-11","23:16:37",""
"1566260","15.5362","0.0002","15.5362","0.0002","11.796","0.0003","90","","90","","90","","2847.24","0.09","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- Al12 Ca19 Mg O78 Si17.83 -","- Al12 Ca19 Mg O78 Si17.833 -","- Al24 Ca38 Mg2 O156 Si35.666 -","2","0.25","","Taras L. Panikorovskii; Vladimir V. Shilovskikh; Evgenia Yu. Avdontseva; Andrey A. Zolotarev; Vladimir Yu. Karpenko; Anton S. Mazur; Victor N. Yakovenchuk; Ayya V. Bazai; Sergey V. Krivovichev; Igor V. Pekov","Magnesiovesuvianite, Ca19Mg(Al,Mg)12Si18O69(OH)9, a new vesuvianite-group mineral","Journal of GeoSciences","2017","62","","25","36","10.3190/jgeosci.229","","","0.71073","MoKα","","0.0292","0.027","","","0.0702","0.0712","","","","","","1.24","","","","has coordinates","272423","2022-02-02","10:07:55",""
"1567456","13.768","0.0016","13.768","0.0016","9.5388","0.0012","90","","90","","90","","1808.2","0.4","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C21 Al F36 I O9 Ru -","- C21 Al F36 I O9 Ru -","- C42 Al2 F72 I2 O18 Ru2 -","2","0.25","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0288","0.025","","","0.0648","0.0676","","","","","","1.073","","","","has coordinates","277655","2022-09-06","09:55:50",""
"1568597","15.6443","0.0004","15.6443","0.0004","11.3058","0.0002","90","","90","","90","","2767.03","0.11","150","2","150","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C39 H48 Br Mo5 N26 Se5 -","- C39 H44 Br Mo5 N26 Se5 -","- C78 H88 Br2 Mo10 N52 Se10 -","2","0.25","","Savina, Iulia V.; Ivanov, Anton A.; Evtushok, Darya V.; Gayfulin, Yakov M.; Komarovskikh, Andrey Y.; Syrokvashin, Mikhail M.; Ivanova, Mariia N.; Asanov, Igor P.; Eltsov, Ilia V.; Kuratieva, Natalia V.; Mironov, Yuri V.; Shestopalov, Michael A.","Unusual Square Pyramidal Chalcogenide Mo<sub>5</sub> Cluster with Bridging Pyrazolate-Ligands.","International journal of molecular sciences","2023","24","4","3440","","10.3390/ijms24043440","","x-ray","0.71073","MoKα","","0.0233","0.0197","","","0.0493","0.0506","","","","","","1.053","","","","has coordinates","281632","2023-03-05","14:52:37",""
"2000605","8.568","0.003","8.568","0.003","6.531","0.005","90","","90","","90","","479.4","0.4","","","","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- Cl4 F6 P Sb -","- Cl4 F6 P Sb -","- Cl8 F12 P2 Sb2 -","2","0.25","BX0585","Preut, H.; Lennhoff, D.; Minkwitz, R.","Structure of tetrachlorophosphonium hexafluoroantimonate","Acta Crystallographica Section C","1992","48","9","1648","1650","10.1107/S0108270192001173","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","206022","2020-10-21","18:00:00",""
"2004220","17.601","0.011","17.601","0.011","12.235","0.008","90","","90","","90","","3790","4","288","","288","","","","","","","","","5","P 4/n :2","-P 4a","85","","tetrakis(N,N'-diphenylbenzamidinato)dicopper(II) dichloromethane solvate","","- C78 H64 Cl4 Cu2 N8 -","- C78 H60 Cl4 Cu2 N8 -","- C156 H120 Cl8 Cu4 N16 -","2","0.25","CF1005","Halfpenny, J.","Tetrakis(<i>N</i>,<i>N</i>'-diphenylbenzamidinato)dicopper(II) Dichloromethane Solvate","Acta Crystallographica Section C","1995","51","12","2542","2544","10.1107/S0108270195008651","","","0.7107","MoKα","","","0.056","","","0.056","","","","","1.427","1.427","","","","","has coordinates,has disorder","192027","2020-10-21","18:00:00",""
"2007041","13.258","0.002","13.258","0.002","7.8926","0.0015","90","","90","","90","","1387.3","0.4","153","2","153","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetraphenylphosphonium aquotetraiodooxomolybdate(V)","","- C24 H22 I4 Mo O2 P -","- C24 H20 I4 Mo O2 P -","- C48 H40 I8 Mo2 O4 P2 -","2","0.25","TA1139","Fettinger, James C.; Mattamana, Sundeep P.; Poli, Rinaldo","Two Tetrahalooxomolybdate(V) Structures, [Ph~3~PNPPh~3~][MoOBr~4~] and [PPh~4~][MoOI~4~(H~2~ O)]","Acta Crystallographica Section C","1998","54","2","184","187","10.1107/S0108270197010718","","","0.71073","MoKα","","0.0678","0.0551","","0.1266","0.1212","","","","1.195","1.254","1.254","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008016","12.5629","0.0006","12.5629","0.0006","7.6587","0.0007","90","","90","","90","","1208.75","0.14","200","2","200","2","","","","","","","","6","P 4/n :2","-P 4a","85","Tetraphenylphosphonium tetrachloro[oxovanadate(V)]","Tetraphenylphosphonium tetrachloro[oxovanadate(V)]","","- C24 H20 Cl4 O P V -","- C24 H20 Cl4 O P V -","- C48 H40 Cl8 O2 P2 V2 -","2","0.25","QB0064","Wulff-Molder, Dirk; Meisel, Manfred","Tetraphenylphosphonium Tetrachlorooxovanadate(V)","Acta Crystallographica Section C","1998","54","12","IUC9800068","","10.1107/S010827019809917X","","","0.71073","MoKα","","0.066","0.036","","0.097","","0.08","","","1.155","","","1.144","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009530","14.02","0.03","14.02","0.03","12.47","0.03","90","","90","","90","","2451","9","297","","","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C16 H41 Cl4 Cu N2 O0.5 -","- C16 H41 Cl4 Cu N2 O0.5 -","- C64 H164 Cl16 Cu4 N8 O2 -","4","0.5","DU1030","Mahoui, A.; Lapasset, J.; Moret, J.","Structure du bis(tétraéthylammonium)tétrachlorocuprate(II) hémihydrate, [(C~2~H~5~)~4~N]~2~[CuCl~4~].0,5H~2~O","Acta Crystallographica Section C","1994","50","3","358","362","10.1107/S0108270193007280","","","1.5418","Cu","","","0.0573","","","0.0595","","","","","1.689","1.689","","","","","has coordinates,has disorder","206021","2020-10-21","18:00:00",""
"2009549","13.516","0.007","13.516","0.007","10.353","0.005","90","","90","","90","","1891.3","1.7","296","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C12 H56 B4 P4 Zr2 -","- C12 H56 B4 P4 Zr2 -","- C24 H112 B8 P8 Zr4 -","2","0.25","MU1053","Mayo, S.C.; Brown, M.; Lloyd, V.K.","A zirconium polyhydride dimer, [Zr~2~H~4~(BH~4~)~4~(PMe~3~)~4~]","Acta Crystallographica Section C","1994","50","3","367","369","10.1107/S0108270193008042","","","0.71073","MoKα","","","0.062","","","0.054","","","","","1.82","1.82","","","","","has coordinates","206022","2020-10-21","18:00:00",""
"2010396","15.963","0.004","15.963","0.004","8.525","0.003","90","","90","","90","","2172.3","1.1","124","","","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C6.5 H13.75 N0.25 Na O6 Si -","- C6.5 H13.75 N0.25 Na O6 Si -","- C52 H110 N2 Na8 O48 Si8 -","8","1","OH1063","Gainsford, G.J.; Kemmitt, T.; Milestone, N.B.","Sodium Bis[1,2-ethanediolato(2‒)](hydroxyethoxo)silicate(1‒) Acetonitrile Solvate, Na[Si(C~2~H~4~O~2~)~2~(C~2~H~5~O~2~)].0.25C~2~H~3~N","Acta Crystallographica Section C","1995","51","1","8","10","10.1107/S010827019400702X","","","0.71073","MoKα","","","0.028","","","0.033","","","","","0.93","0.93","","","","","has coordinates","206022","2020-10-21","18:00:00",""
"2023069","12.69368","0.00009","12.69368","0.00009","11.35879","0.00013","90","","90","","90","","1830.24","0.03","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","Bromidotetrakis[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-amine-κ<i>N</i>^3^]copper(II) bromide","","- C20 H28 Br2 Cu N12 S8 -","- C20 H28 Br2 Cu N12 S8 -","- C40 H56 Br4 Cu2 N24 S16 -","2","0.25","NY2003","Atashov, Aziz; Azamova, Mukhlisakhon; Ziyatov, Daminbek; Uzakbergenova, Zamira; Torambetov, Batirbay; Holczbauer, Tamas; Ashurov, Jamshid; Kadirova, Shakhnoza","Synthesis, crystal structure and Hirshfeld surface analysis of bromido-tetra-kis-[5-(prop-2-en-1-yl-sulf-an-yl)-1,3,4-thia-diazol-2-amine-κ<i>N</i><sup>3</sup>]copper(II) bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","408","412","10.1107/S2056989024002652","","","1.54184","CuKα","","0.028","0.0254","","","0.0633","0.0649","","","","","","1.052","","","","has coordinates,has disorder","291721","2024-05-06","04:20:33",""
"2100328","29.6829","0.0003","29.6829","0.0003","8.4018","0.0001","90","","90","","90","","7402.61","0.14","150","2","150","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- Cl H4 Na9 O20 S4 -","- Cl H4 Na9 O20 S4 -","- Cl16 H64 Na144 O320 S64 -","16","2","DE5022","Pritchard, Robin Gavin; Begum, Zubeda; Lau, Yuf Fai; Austin, Jonothan","Structures of Na~9~[SO~4~]~4~<i>X</i>·2H~2~O~2~, where <i>X</i> = Cl or Br, in which the halide anions orchestrate extended orientation sequences of H~2~O~2~ solvate molecules","Acta Crystallographica Section B","2005","61","6","663","668","10.1107/S010876810503212X","","","0.71073","MoKα","","0.1108","0.0605","","","0.1236","0.1466","","","","","","1.236","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100329","14.9126","0.0005","14.9126","0.0005","8.4052","0.0002","90","","90","","90","","1869.2","0.1","150","2","150","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- Br H4 Na9 O20 S4 -","- Br H4 Na9 O20 S4 -","- Br4 H16 Na36 O80 S16 -","4","0.5","DE5022","Pritchard, Robin Gavin; Begum, Zubeda; Lau, Yuf Fai; Austin, Jonothan","Structures of Na~9~[SO~4~]~4~<i>X</i>·2H~2~O~2~, where <i>X</i> = Cl or Br, in which the halide anions orchestrate extended orientation sequences of H~2~O~2~ solvate molecules","Acta Crystallographica Section B","2005","61","6","663","668","10.1107/S010876810503212X","","","0.71073","MoKα","","0.0634","0.0396","","","0.0836","0.0927","","","","","","1.066","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101135","20.1738","0.0004","20.1738","0.0004","7.2205","0.0001","90","","90","","90","","2938.62","0.09","","","","","","","","","cooling to about 110 K","","","3","P 4/n :2","-P 4a","85","","","","- Al3 F19 Pb5 -","- Al3 F19 Pb5 -","- Al24 F152 Pb40 -","8","1","ST0617","Andriamampianina, V.; Gravereau, P.; Ravez, J.; Abrahams, S. C.","Relationship between the structures of ferroelectric Pb~5~Cr~3~F~19~ and antiferroelectric Pb~5~Al~3~F~19~ at 295 K and the phase III‒phase IV transition in Pb~5~Al~3~F~19~ on cooling to about 110 K","Acta Crystallographica Section B","1994","50","2","135","141","10.1107/S010876819301050X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2103018","10.2203","0.0003","10.2203","0.0003","9.1508","0.0003","90","","90","","90","","955.84","0.05","296","2","296","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- O5 Pr9 Sb5 -","- O5 Pr9 Sb5 -","- O10 Pr18 Sb10 -","2","0.25","BP5006","Nuss, Jürgen; Jansen, Martin","Reticular merohedral twinning within the La~9~Sb~5~O~5~ structure family: structure of Pr~9~Sb~5~O~5~, Sm~9~Sb~5~O~5~ and Dy~9~Sb~5~O~5~","Acta Crystallographica Section B","2007","63","6","843","849","10.1107/S0108768107051282","","","0.71073","MoKα","","0.0256","0.0234","","","0.0543","0.0552","","","","","","1.215","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103019","10.0341","0.0004","10.0341","0.0004","8.9839","0.0003","90","","90","","90","","904.53","0.06","296","2","296","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- O5 Sb5 Sm9 -","- O5 Sb5 Sm9 -","- O10 Sb10 Sm18 -","2","0.25","BP5006","Nuss, Jürgen; Jansen, Martin","Reticular merohedral twinning within the La~9~Sb~5~O~5~ structure family: structure of Pr~9~Sb~5~O~5~, Sm~9~Sb~5~O~5~ and Dy~9~Sb~5~O~5~","Acta Crystallographica Section B","2007","63","6","843","849","10.1107/S0108768107051282","","","0.71073","MoKα","","0.0436","0.0289","","","0.0531","0.0573","","","","","","1.077","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103020","9.8389","0.0003","9.8389","0.0003","8.7986","0.0003","90","","90","","90","","851.74","0.05","296","2","296","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- Dy9 O5 Sb5 -","- Dy9 O5 Sb5 -","- Dy18 O10 Sb10 -","2","0.25","BP5006","Nuss, Jürgen; Jansen, Martin","Reticular merohedral twinning within the La~9~Sb~5~O~5~ structure family: structure of Pr~9~Sb~5~O~5~, Sm~9~Sb~5~O~5~ and Dy~9~Sb~5~O~5~","Acta Crystallographica Section B","2007","63","6","843","849","10.1107/S0108768107051282","","","0.71073","MoKα","","0.0367","0.027","","","0.0547","0.0579","","","","","","1.081","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106845","8.333","","8.333","","5.008","","90","","90","","90","","347.75","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","Ca (V4 O9)","","- Ca O9 V4 -","- Ca O9 V4 -","- Ca2 O18 V8 -","2","0.25","","Bouloux, J.C.; Galy, J.","Structure cristalline de l'hypovanadate Ca V4 O9","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1335","1338","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106951","7.0969","","7.0969","","9.1903","","90","","90","","90","","462.879","","","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","Li U O2 (As O4) (D2 O)4","","- As D8 Li O10 U -","- As D8 Li O10 U -","- As2 D16 Li2 O20 U2 -","2","0.25","","Fitch, A.N.; Fender, B.E.F.; Wright, A.F.","The Structure of Deuterated Lithium Uranyl Arsenate Tetrahydrate Li U O2 As O4 (D2 O)4 by Powder Neutron Diffraction","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1108","1112","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107111","7.579","","7.579","","5.375","","90","","90","","90","","308.747","","","","","","","","","","","","","4","P 4/n :2","-P 4a","85","","Cs (Al (N H2)4)","","- Al Cs H8 N4 -","- Al Cs H8 N4 -","- Al2 Cs2 H16 N8 -","2","0.25","","Molinie, P.; Brec, R.; Rouxel, J.; Herpin, P.","Structures des amidoaluminates alcalins M Al (N H2)4, (M=Na,K,Cs). Structure de l'amidogallate de sodium Na Ga (N H2)4","Acta Crystallographica B (24,1968-38,1982)","1973","29","","925","934","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2203150","13.3356","0.0006","13.3356","0.0006","13.6495","0.0009","90","","90","","90","","2427.4","0.2","150","2","150","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C32 H72 Br0.33 Cl3.67 Cu4 Mo N2 S4 -","- C32 H72 Br0.328 Cl3.672 Cu4 Mo N2 S4 -","- C64 H144 Br0.656 Cl7.344 Cu8 Mo2 N4 S8 -","2","0.25","BT6400","Brooks, Neil R.; Clegg, William; Esm-Hosseini, Majid; Hossaini Sadr, Moayad; Yavari, Reza","A second tetragonal polymorph of bis(tetra-<i>n</i>-butylammonium) tetrakis[chloro(μ~3~-sulfido)copper(I)]molybdate(VI)","Acta Crystallographica Section E","2004","60","2","m204","m206","10.1107/S1600536804001175","","","0.71073","MoKα","","0.0419","0.0244","","","0.0515","0.0583","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204752","13.3652","0.0005","13.3652","0.0005","13.668","0.002","90","","90","","90","","2441.5","0.4","150","2","150","2","","","","","","","","7","P 4/n :2","-P 4a","85","","Bis(tetra-n-butylammonium) tetrakis[chloro(μ~3~-sulfido)copper(I)]tungstate(VI)","","- C32 H72 Cl4 Cu4 N2 S4 W -","- C32 H72 Cl4 Cu4 N2 S4 W -","- C64 H144 Cl8 Cu8 N4 S8 W2 -","2","0.25","LH6324","Hossaini Sadr, Moayad; Seyed Ahmadian, Seyed Masoud; Brooks, Neil R.; Clegg, William","Bis(tetra-<i>n</i>-butylammonium) tetrakis[chloro(μ~3~-sulfido)copper(I)]tungstate(VI): a second polymorph","Acta Crystallographica Section E","2004","60","12","m1952","m1954","10.1107/S1600536804030582","","","0.71073","MoKα","","0.0304","0.0216","","","0.0501","0.0558","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208182","13.021","0.002","13.021","0.002","7.236","0.002","90","","90","","90","","1226.8","0.4","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","Tetraphenyloarsonium aqua-tetrachlorooxorhenate(V)","Tetraphenyloarsonium aqua-tetrachlorooxorhenate(V)","","- C24 H22 As Cl4 O2 Re -","- C24 H22 As Cl4 O2 Re -","- C48 H44 As2 Cl8 O4 Re2 -","2","0.25","TK6296","Siczek, Miłosz; Lis, Tadeusz","Redetermination of tetraphenylarsonium <i>trans</i>-aquatetrachlorooxorhenate(V) at 100 K","Acta Crystallographica Section E","2006","62","2","m358","m359","10.1107/S1600536806001747","","","0.71073","MoKα","","0.021","0.018","","","0.038","0.039","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209597","26.6249","0.0019","26.6249","0.0019","7.1739","0.0007","90","","90","","90","","5085.5","0.7","173","2","173","2","","","","","","","","4","P 4/n :2","-P 4a","85","","cyclo-Tris(μ~2~-3-phenyl-1H-pyrazole)tricopper(I)","","- C27 H21 Cu3 N6 -","- C27 H21 Cu3 N6 -","- C216 H168 Cu24 N48 -","8","1","LH2093","Morawitz, Thorsten; Lerner, Hans-Wolfram; Bolte, Michael","<i>cyclo</i>-Tris(μ~2~-3-phenyl-1<i>H</i>-pyrazole)tricopper(I)","Acta Crystallographica Section E","2006","62","7","m1474","m1476","10.1107/S1600536806020708","","","0.71073","MoKα","","0.1502","0.0552","","","0.1083","0.1314","","","","","","0.793","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2213070","21.5192","0.0009","21.5192","0.0009","7.7834","0.0005","90","","90","","90","","3604.3","0.3","223","2","223","2","","","","","","","","8","P 4/n :2","-P 4a","85","","[O-Methyl N-(4-chlorophenyl)thiocarbamato-κS](triethylphosphine-κP)gold(I)","","- C14 H22 Au Cl N O P S -","- C14 H22 Au Cl N O P S -","- C112 H176 Au8 Cl8 N8 O8 P8 S8 -","8","1","YA2047","Primjira P. Tadbuppa; Tiekink, Edward R. T.","[<i>O</i>-Methyl <i>N</i>-(4-chlorophenyl)thiocarbamato-κ<i>S</i>](triethylphosphine-κ<i>P</i>)gold(I)","Acta Crystallographica Section E","2007","63","4","m1101","m1102","10.1107/S1600536807011713","","","0.71069","MoKα","","0.055","0.036","","","0.08","0.089","","","","","","1.01","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217979","20.23","0.002","20.23","","11.6203","0.0012","90","","90","","90","","4755.6","0.7","295","2","295","2","","","","","","","","5","P 4/n :2","-P 4a","85","","<i>cyclo</i>-Tetra-μ-malato-κ^16^O,O',O'':O'''-tetrakis[bis(1H-benzimidazole- kN^3^)cobalt(II)] pentahydrate","","- C72 H104 Co4 N16 O40 -","- C72 H64 Co4 N16 O40 -","- C144 H128 Co8 N32 O80 -","2","0.25","NG2434","Li, Jun-Hua; Nie, Jing-Jing; Su, Jian-Rong; Xu, Duan-Jun","<i>cyclo</i>-Tetra-μ-malato-κ^16^<i>O</i>,<i>O</i>',<i>O</i>'':<i>O</i>'''-tetrakis[bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)cobalt(II)] eicosahydrate","Acta Crystallographica Section E","2008","64","4","m538","m539","10.1107/S1600536808006715","","","0.71069","MoKα","","0.1009","0.0763","","","0.1784","0.1904","","","","","","1.145","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219400","13.531","0.006","13.531","0.006","9.159","0.004","90","","90","","90","","1676.9","1.3","213","2","213","2","","","","","","","","6","P 4/n :2","-P 4a","85","","Tetrakis(1,3,4,6,7,8-hexahydro-2<i>H</i>-pyrimido[1,2-<i>a</i>]pyrimidin-9-ido- κ^2^<i>N</i>^1^,<i>N</i>^9^)niobium(V) hexafluoridophosphate","","- C28 H48 F6 N12 Nb P -","- C28 H48 F6 N12 Nb P -","- C56 H96 F12 N24 Nb2 P2 -","2","0.25","LX2067","Cotton, F. Albert; Murillo, Carlos A.; Poplaukhin, Pavel V.; Bhuvanesh, Nattamai; Tiekink, Edward R. T.","Tetrakis(1,3,4,6,7,8-hexahydro-2<i>H</i>-pyrimido[1,2-<i>a</i>]pyrimidin-9-ido-κ^2^<i>N</i>^1^,<i>N</i>^9^)niobium(V) hexafluoridophosphate","Acta Crystallographica Section E","2008","64","9","m1197","","10.1107/S1600536808026627","","","0.71069","MoKα","","0.0592","0.0498","","","0.1342","0.1444","","","","","","1.053","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219532","15.0665","0.0006","15.0665","0.0006","8.9322","0.0005","90","","90","","90","","2027.6","0.16","113","2","113","2","","","","","","","","6","P 4/n :2","-P 4a","85","","Tetrakis(1,3,4,6,7,9-hexaaza-1H-phenalen-6-ium) sodium(I) pentakis(tetrafluoridoborate)","","- C28 H20 B5 F20 N24 Na -","- C28 H20 B5 F20 N24 Na -","- C56 H40 B10 F40 N48 Na2 -","2","0.25","CI2666","Jiang, Yuqin; Hou, Yanhui; Chen, Yongsheng","Tetrakis(1,3,4,6,7,9-hexaaza-1<i>H</i>-phenalen-6-ium) sodium(I) pentakis(tetrafluoridoborate)","Acta Crystallographica Section E","2008","64","10","m1318","","10.1107/S1600536808030286","","","0.7107","MoKα","","0.0603","0.0552","","","0.1476","0.152","","","","","","1.191","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2223852","10.5035","0.0003","10.5035","0.0003","11.3751","0.0006","90","","90","","90","","1254.94","0.08","296","2","296","2","","","","","","","","6","P 4/n :2","-P 4a","85","","Chloridotetrakis(pyridine-4-carbaldehyde-κ<i>N</i>)copper(II) chloride","","- C24 H20 Cl2 Cu N4 O4 -","- C24 H20 Cl2 Cu N4 O4 -","- C48 H40 Cl4 Cu2 N8 O8 -","2","0.25","IM2137","Meng, Xiu-Jin; Zhang, Shu-Hua; Yang, Ge-Ge; Huang, Xue-Ren; Jiang, Yi-Min","Chloridotetrakis(pyridine-4-carbaldehyde-κ<i>N</i>)copper(II) chloride","Acta Crystallographica Section E","2009","65","11","m1380","","10.1107/S1600536809041816","","","0.71073","MoKα","","0.0341","0.0334","","","0.1119","0.1135","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229102","14.546","0.0006","14.546","0.0006","11.1686","0.0007","90","","90","","90","","2363.1","0.2","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","Hexa-μ~2~-chlorido-μ~4~-oxido-tetrakis[(3-methyl-5-phenyl-1<i>H</i>-pyrazole- κ<i>N</i>^2^)copper(II)]","","- C40 H40 Cl6 Cu4 N8 O -","- C40 H40 Cl6 Cu4 N8 O -","- C80 H80 Cl12 Cu8 N16 O2 -","2","0.25","IS2649","He, Hongshan","Hexa-μ~2~-chlorido-μ~4~-oxido-tetrakis[(3-methyl-5-phenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)]","Acta Crystallographica Section E","2011","67","2","m140","","10.1107/S1600536810053663","","","0.71073","MoKα","","0.1389","0.0665","","","0.1409","0.1937","","","","","","1.174","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229315","16.905","0.002","16.905","","9.622","0.0019","90","","90","","90","","2749.8","0.6","188","2","188","2","","","","","","","","6","P 4/n :2","-P 4a","85","","Chloridonitrosyl[<i>meso</i>-5,10,15,20-tetrakis(<i>p</i>-tolyl)porphyrinato- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')osmium(II) tetrahydrofuran tetrasolvate","","- C64 H68 Cl N5 O5 Os -","- C64 H68 Cl0.997 N4.997 O4.997 Os -","- C128 H136 Cl1.994 N9.994 O9.994 Os2 -","2","0.25","NG5100","Chen, Li; Xu, Nan; Powell, Douglas R.; Richter-Addo, George B.","Chloridonitrosyl[<i>meso</i>-5,10,15,20-tetrakis(<i>p</i>-tolyl)porphyrinato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']osmium(II) tetrahydrofuran tetrasolvate","Acta Crystallographica Section E","2011","67","2","m224","","10.1107/S1600536811001401","","","0.71073","MoKα","","0.023","0.0215","","","0.0569","0.058","","","","","","0.968","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2230578","17.9226","0.0007","17.9226","0.0007","7.8877","0.0006","90","","90","","90","","2533.7","0.2","291","2","291","2","","","","","","","","6","P 4/n :2","-P 4a","85","","Tetraaquatetrakis(4,4'-bipyridine dioxide-κ<i>O</i>)terbium(III) octacyanidomolybdate(V)","","- C48 H40 Mo N16 O12 Tb -","- C48 H40 Mo N16 O12 Tb -","- C96 H80 Mo2 N32 O24 Tb2 -","2","0.25","BT5505","Qian, Su-Yan; Yuan, Ai-Hua","Tetraaquatetrakis(4,4'-bipyridine dioxide-κ<i>O</i>)terbium(III) octacyanidomolybdate(V)","Acta Crystallographica Section E","2011","67","7","m845","","10.1107/S1600536811020022","","","0.71073","MoKα","","0.0176","0.0158","","","0.0416","0.0429","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232748","14.0961","0.0004","14.0961","0.0004","7.5236","0.0004","90","","90","","90","","1494.94","0.1","294","2","294","2","","","","","","","","5","P 4/n :2","-P 4a","85","","Bromidotetrakis(1<i>H</i>-2-ethyl-5-methylimidazole-κ<i>N</i>^3^)copper(II) bromide","","- C24 H40 Br2 Cu N8 -","- C24 H40 Br2 Cu N8 -","- C48 H80 Br4 Cu2 N16 -","2","0.25","HB6533","Godlewska, Sylwia; Baranowska, Katarzyna; Socha, Joanna; Dołega, Anna","Bromidotetrakis(1<i>H</i>-2-ethyl-5-methylimidazole-κ<i>N</i>^3^)copper(II) bromide","Acta Crystallographica Section E","2011","67","12","m1906","","10.1107/S1600536811051117","","","0.71073","MoKα","","0.0501","0.0273","","","0.0703","0.0761","","","","","","0.953","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233763","17.9222","0.0007","17.9222","0.0007","7.8915","0.0006","90","","90","","90","","2534.8","0.2","291","2","291","2","","","","","","","","6","P 4/n :2","-P 4a","85","","Tetraaquatetrakis(4,4'-bipyridine dioxide-κ<i>O</i>)terbium(III) octacyanidotungstate(V)","","- C48 H40 N16 O12 Tb W -","- C48 H40 N16 O12 Tb W -","- C96 H80 N32 O24 Tb2 W2 -","2","0.25","BX2386","Shi, Yu-Sheng; Ran, Mao-Qian; Chen, Ying-Ying; Yuan, Ai-Hua","Tetraaquatetrakis(4,4'-bipyridine dioxide-κ<i>O</i>)terbium(III) octacyanidotungstate(V)","Acta Crystallographica Section E","2012","68","3","m288","","10.1107/S1600536812005004","","","0.71073","MoKα","","0.0158","0.0138","","","0.036","0.037","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2243480","19.9869","0.0009","19.9869","0.0009","13.957","0.0011","90","","90","","90","","5575.5","0.6","150","2","150","2","","","","","","","","7","P 4/n :2","-P 4a","85","","Tetra-μ-aqua-tetrakis{2-[azanidylene(oxido)methyl]phenolato}tetrakis(μ~2~-3-hydroxybenzoato)dysprosium(III)tetramanganese(III)sodium(I) <i>N</i>,<i>N</i>-dimethylacetamide decasolvate","","- C96 H134 Dy Mn4 N14 Na O38 -","- C96 H134 Dy Mn4 N14 Na O38 -","- C192 H268 Dy2 Mn8 N28 Na2 O76 -","2","0.25","PK2637","Manickas, Elizabeth C.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structures of two heterotrimetallic dysprosium‒manganese‒sodium 12-metallacrown-4 complexes with the bridging ligands 3-hydroxybenzoate and 4-hydroxybenzoate","Acta Crystallographica Section E","2020","76","8","1213","1221","10.1107/S2056989020008853","","","0.71073","MoKα","","0.0642","0.0505","","","0.1361","0.1514","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","254113","2020-10-21","18:00:00",""
"2244213","18.2654","0.0009","18.2654","0.0009","13.4219","0.0009","90","","90","","90","","4477.9","0.4","150","2","150","2","","","","","","","","7","P 4/n :2","-P 4a","85","","Tetraaquatetrakis(μ-2-propylvalerato)tetrakis(μ~4~-salicylhydroximato)dysprosiumtetramanganesesodium dimethylformamide tetrasolvate,","","- C72 H112 Dy Mn4 N8 Na O28 -","- C72.0072 H112.011 Dy Mn4.0004 N8.0008 Na O28.0028 -","- C144.014 H224.022 Dy2 Mn8.0008 N16.0016 Na2 O56.0056 -","2","0.25","EX2062","Aziz, Ozha A.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structure of a heterotrimetallic 12-metallacrown-4 with 2-propylvalerate anion bridges","Acta Crystallographica Section E","2022","78","12","","","10.1107/S2056989022010489","","","0.71073","MoKα","","0.1023","0.0722","","","0.2125","0.2571","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","279135","2022-11-09","03:05:41",""
"2310431","8.38","","8.38","","7.49","","90","","90","","90","","525.981","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","Zr (I O3)4","","- I4 O12 Zr -","- I4 O12 Zr -","- I8 O24 Zr2 -","2","0.25","","Larson, A.C.; Cromer, D.T.","The crystal structure of Zr (I O3)4","Acta Crystallographica (1,1948-23,1967)","1961","14","","128","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310828","7.671","","7.671","","8.271","","90","","90","","90","","486.701","","","","","","","","","","","","","6","P 4/n :2","-P 4a","85","","N H4 Cu Ti F7 (H2 O)4","","- Cu F7 H12 N O4 Ti -","- Cu F7 N O4 Ti -","- Cu2 F14 N2 O8 Ti2 -","2","0.25","","Decian, A.; Fischer, J.; Weiss, R.","Structure Cristalline de l'Heptafluorotitanate de Cuivre et d'Ammonium Tetrahydrate N H4 Cu Ti F7 (H2 O)4","Acta Crystallographica (1,1948-23,1967)","1967","22","","340","343","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4001886","18.741","0.007","18.741","0.007","9.414","0.004","90","","90","","90","","3306","2","93","2","93","2","","","","","","","","6","P 4/n :2","-P 4a","85","Cu-SAPO STA-7, dehydrated 250 degree C","Cu-SAPO STA-7, dehydrated 250 degree C","","- C8 Al12 Cu0.32 N5 O48 P12 -","- C8 Al12 Cu0.32 N5 O48 P12 -","- C16 Al24 Cu0.64 N10 O96 P24 -","2","0.25","","Eschenroeder, Eike C. V.; Turrina, Alessandro; Picone, A. Lorena; Cinque, Gianfelice; Frogley, Mark D.; Cox, Paul A.; Howe, Russell F.; Wright, Paul A.","Monitoring the Activation of Copper-Containing Zeotype Catalysts Prepared by Direct Synthesis Using in Situ Synchrotron Infrared Microcrystal Spectroscopy and Complementary Techniques","Chemistry of Materials","2014","26","3","1434","","10.1021/cm403534b","","","0.71073","MoKα","","0.2442","0.1357","","","0.329","0.3441","","","","","","1.055","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001887","18.698","0.006","18.698","0.006","9.395","0.003","90","","90","","90","","3284.6","1.8","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","Cu-SAPO STA-7, dehydrated 150 degree C","Cu-SAPO STA-7, dehydrated 150 degree C","","- C12 Al12 Cu0.38 N5 O49 P12 -","- C8 Al12 Cu0.382 N5 O49 P12 -","- C16 Al24 Cu0.764 N10 O98 P24 -","2","0.25","","Eschenroeder, Eike C. V.; Turrina, Alessandro; Picone, A. Lorena; Cinque, Gianfelice; Frogley, Mark D.; Cox, Paul A.; Howe, Russell F.; Wright, Paul A.","Monitoring the Activation of Copper-Containing Zeotype Catalysts Prepared by Direct Synthesis Using in Situ Synchrotron Infrared Microcrystal Spectroscopy and Complementary Techniques","Chemistry of Materials","2014","26","3","1434","","10.1021/cm403534b","","","0.71073","MoKα","","0.1364","0.1153","","","0.2691","0.2811","","","","","","1.269","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001888","18.71193","0.00004","18.71193","0.00004","9.39907","0.00004","90","","90","","90","","3290.96","0.017","295","","295","","","","","","","","Hydrothermally synthesized","7","P 4/n :2","-P 4a","85","Cu-SAPO STA-7","SAPO SAV framework","","- C18 Al12 Cu N5 O51.15 P8.4 Si3.6 -","- C18 Al12 Cu N5 O51.1467 P8.4 Si3.6 -","- C36 Al24 Cu2 N10 O102.293 P16.8 Si7.2 -","2","0.25","","Eschenroeder, Eike C. V.; Turrina, Alessandro; Picone, A. Lorena; Cinque, Gianfelice; Frogley, Mark D.; Cox, Paul A.; Howe, Russell F.; Wright, Paul A.","Monitoring the Activation of Copper-Containing Zeotype Catalysts Prepared by Direct Synthesis Using in Situ Synchrotron Infrared Microcrystal Spectroscopy and Complementary Techniques","Chemistry of Materials","2014","26","3","1434","","10.1021/cm403534b","powder diffraction","x-ray","0.800178","","","","","","","","","0.12765","","5.27","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4022351","15.8724","0.0006","15.8724","0.0006","12.5804","0.0009","90","","90","","90","","3169.4","0.3","150.2","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C70 H77 N O9 S4 -","- C70 H64 N O8.5 S4 -","- C140 H128 N2 O17 S8 -","2","0.25","","Naoya Morohashi; Hiroshi Katagiri; Nobuhiko Iki; Yusuke Yamane; Chizuko Kabuto; Tetsutaro Hattori; Sotaro Miyano","Synthesis of All Stereoisomers of Sulfinylcalix[4]arenes","Journal of Organic Chemistry","2003","68","","2324","2333","10.1021/jo026801x","","","0.7107","MoKα","","","0.0618","","","","0.073","","","","","","1.555","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022520","14.5152","0.0009","14.5152","0.0009","9.3463","0.0008","90","","90","","90","","1969.2","0.2","293","2","293","2","","","","","","","","4","P 4/n :2","-P 4a","85","resorcinarene","","","- C42 H51 N O9 -","- C42 H51 N O9 -","- C84 H102 N2 O18 -","2","0.25","","Alexander Shivanyuk; Jan C. Friese; Steve Döring; Julius Rebek, Jr.","Solvent-Stabilized Molecular Capsules","Journal of Organic Chemistry","2003","68","","6489","6496","10.1021/jo034791+","","","0.71073","MoKα","","0.0677","0.059","","","0.1737","0.1842","","","","","","1.052","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4026873","19.8762","0.0005","19.8762","0.0005","10.665","0.0006","90","","90","","90","","4213.4","0.3","295","2","295","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C16 H23 Cl3 O4 -","- C16 H23 Cl3 O4 -","- C128 H184 Cl24 O32 -","8","1","","Hung-Yi Lee; Chin-Kang Sha","Stereoselective Total Synthesis of (\±)-Peribysin E","Journal of Organic Chemistry","2012","77","","598","605","10.1021/jo2021604","","","0.71073","MoKα","","0.1132","0.0596","","","0.1635","0.192","","","","","","1.01","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4030405","12.793","0.0015","12.793","0.0015","13.13","0.0015","90","","90","","90","","2148.9","0.4","173","2","173","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C50 H64 O6 -","- C50.08 H52 O6.04 -","- C100.16 H104 O12.08 -","2","0.25","","Tanaka, Shinya; Umetsu, Takafumi; Nebuya, Satoru; Morohashi, Naoya; Hattori, Tetsutaro","1,3-Diiodocalix[4]arene: Synthesis by Ullmann-Type Iodination of 1,3-Bistriflate Ester of Calix[4]arene, Conformational Analysis, and Transformation into 1,3-Dicarboxy-, Diformyl-, and Dialkylcalix[4]arenes.","The Journal of organic chemistry","2014","80","2","1070","","10.1021/jo502563z","","","0.71073","MoKα","","0.0998","0.0891","","","0.2362","0.2463","","","","","","1.053","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030474","13.503","0.003","13.503","0.003","19.471","0.005","90","","90","","90","","3550.2","1.4","","","293","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C24 H48 Cs F5 O12 S -","- C24 H48 Cs F4.998 O12 S -","- C96 H192 Cs4 F19.992 O48 S4 -","4","0.5","","Clark, M.; Kellen-Yuen, C. J.; Robinson, K. D.; Zhang, H.; Yang, Z.-Y.; Madappat, K. V.; Fuller, J. W.; Atwood, J. L.; Thrasher, J. S.","""Naked"" SF5- anion: The crystal and molecular structure of [Cs+.(18-crown-6)2][SF5-]","European Journal of Solid State and Inorganic Chemistry","1992","29","","809","833","","","x-ray","0.71069","MoKα","","","0.028","","","0.032","","","","","","","","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4033969","14.3246","0.0003","14.3246","0.0003","13.4826","0.0004","90","","90","","90","","2766.55","0.12","293","","293","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C128 H104 N8 O24 -","8","1","","Chen, Donghan; Yao, Yongqi; Yang, Wen; Lin, Qifu; Li, Huanyong; Wang, Lin; Chen, Shuqi; Tan, Yun; Yang, Dingqiao","Palladium-Catalyzed <i>syn</i>-Stereocontrolled Ring Opening of Oxabicyclic Alkenes with Arylsulfonyl Hydrazides.","The Journal of organic chemistry","2019","84","19","12481","12489","10.1021/acs.joc.9b01957","","x-ray","1.54184","CuKα","","0.0699","0.0627","","","0.1477","0.1584","","","","","","1.0415","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4034025","15.0815","0.0018","15.0815","0.0018","8.9943","0.0006","90","","90","","90","","2045.8","0.4","143","2","143","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C32 H54 Cd N12 O8 -","- C32 H54 Cd N12 O8 -","- C64 H108 Cd2 N24 O16 -","2","0.25","","Manabe, Yumehiro; Uesaka, Mitsuharu; Yoneda, Tomoki; Inokuma, Yasuhide","Two-Step Transformation of Aliphatic Polyketones into π-Conjugated Polyimines.","The Journal of organic chemistry","2019","84","16","9957","9964","10.1021/acs.joc.9b01119","","x-ray","0.71075","MoKα","","0.0319","0.0287","","","0.0699","0.0713","","","","","","1.04","","","","has coordinates,has disorder","222585","2020-10-21","18:00:00",""
"4036970","19.6918","0.0001","19.6918","0.0001","19.3835","0.0002","90","","90","","90","","7516.28","0.09","100","0.1","100","0.1","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C46.25 H48 O6.5 -","- C46.25 H48 O6.5 -","- C370 H384 O52 -","8","1","","Stefańska, Karolina; Jędrzejewska, Hanna; Wierzbicki, Michał; Szumna, Agnieszka; Iwanek, Waldemar","The Inverse Demand Oxa-Diels-Alder Reaction of Resorcinarenes: An Experimental and Theoretical Analysis of Regioselectivity and Diastereoselectivity.","The Journal of organic chemistry","2016","81","14","6018","6025","10.1021/acs.joc.6b01099","","","1.54184","CuKα","","0.0693","0.0618","","","0.1915","0.2012","","","","","","0.871","","","","has coordinates,has disorder","235492","2020-10-21","18:00:00",""
"4038734","26.9636","0.0007","26.9636","0.0007","9.7516","0.0005","90","","90","","90","","7089.8","0.4","296","2","296","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C17 H29 N2 P -","- C17 H29 N2 P -","- C272 H464 N32 P16 -","16","2","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiia N.; Shishkina, Svitlana; Rusanov, Eduard; Kostyuk, Aleksandr","Ring Enlargement of <i>N</i>-Phosphanyl-1,2,3,4-tetrahydroquinazolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00750","","","0.71073","MoKα","","0.0768","0.0461","","","0.1202","0.1324","","","","","","1.028","","","","has coordinates","255933","2020-10-21","18:00:00",""
"4063837","19.3177","0.0017","19.3177","0.0017","17.1015","0.0015","90","","90","","90","","6381.8","1","123","","123","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C132 H130 P8 Pt4 Si2 -","- C132 H130 P8 Pt4 Si2 -","- C264 H260 P16 Pt8 Si4 -","2","0.25","","Arii, Hidekazu; Takahashi, Makiko; Nanjo, Masato; Mochida, Kunio","Polyhedral and Spiro Platinum−Silyl Clusters Bearing Phosphine Ligands","Organometallics","2011","30","4","917","","10.1021/om100976v","","","0.71073","MoKα","","0.0621","0.0483","","","0.1576","0.1704","","","","","","1.089","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4064690","24.5155","0.0005","24.5155","0.0005","18.8485","0.0004","90","","90","","90","","11328.1","0.4","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C58 H77 Cl2 N3 O Ru -","- C58 H77 Cl2 N3 O Ru -","- C464 H616 Cl16 N24 O8 Ru8 -","8","1","","Bouffard, Jean; Keitz, Benjamin K.; Tonner, Ralf; Lavallo, Vincent; Guisado-Barrios, Gregorio; Frenking, Gernot; Grubbs, Robert H.; Bertrand, Guy","Synthesis of Highly Stable 1,3-Diaryl-1H-1,2,3-triazol-5-ylidenes and their Applications in Ruthenium-Catalyzed Olefin Metathesis.","Organometallics","2011","30","9","2617","2627","10.1021/om200272m","","","0.71073","MoKα","","0.0696","0.0487","","","0.0708","0.0712","","","","","","4.381","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4067389","29.02","0.0004","29.02","0.0004","14.497","0.0002","90","","90","","90","","12208.8","0.3","200","2","200","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C82.5 H11 O10 Os3 P S -","- C82.5 H11 O10 Os3 P S -","- C660 H88 O80 Os24 P8 S8 -","8","1","","Yeh, Wen-Yann; Tsai, Kune-You","Complexation and C−H/C−P Bond Activation of the (PPh2)C60H Molecule on Triosmium Carbonyl Clusters","Organometallics","2010","29","3","604","","10.1021/om900914a","","","0.71073","MoKα","","0.097","0.0614","","","0.1724","0.1904","","","","","","1.062","","","","has coordinates","268283","2021-08-30","06:31:21",""
"4069597","23.0442","0.0004","23.0442","0.0004","10.4264","0.0004","90","","90","","90","","5536.8","0.3","296","2","296","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C24 H34 B10 Zr -","- C24 H34 B10 Zr -","- C192 H272 B80 Zr8 -","8","1","","Ren, Shikuo; Chan, Hoi-Shan; Xie, Zuowei","Reaction of Zirconocene−Carboryne Precursor with Alkynes: An Efficient Route to Zirconacyclopentenes Incorporating a Carboranyl Unit","Organometallics","2009","28","14","4106","","10.1021/om9002973","","","0.71073","MoKα","","0.0621","0.0526","","","0.1552","0.1683","","","","","","1.184","","","","has coordinates","178584","2020-10-21","18:00:00",""
"4070228","33.6029","0.0015","33.6029","0.0015","16.6252","0.0015","90","","90","","90","","18772","2","223","2","223","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C40.5 H55 Br2 N4 O0.13 Pd -","- C40.5 H55 Br2 N4 O0.125 Pd -","- C648 H880 Br32 N64 O2 Pd16 -","16","2","","Huynh, Han Vinh; Han, Yuan; Jothibasu, Ramasamy; Yang, Jie An","13C NMR Spectroscopic Determination of Ligand Donor Strengths Using N-Heterocyclic Carbene Complexes of Palladium(II)","Organometallics","2009","28","18","5395","","10.1021/om900667d","","","0.71073","MoKα","","0.1406","0.0748","","","0.2034","0.2345","","","","","","1.011","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075255","19.886","0.003","19.886","0.003","10.595","0.002","90","","90","","90","","4189.8","1.2","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C91 H84 Fe N8 O Sn4 -","- C91 H84 Fe N8 O Sn4 -","- C182 H168 Fe2 N16 O2 Sn8 -","2","0.25","","Xu, Guo-Hai; Ma, Jian-Fang; Yu, Hai-Xia; Li,; Liu, Ying-Ying; Yang, Jin; Su, Zhong-Min; Shi, Chun-Feng","A Series of New Organotin−Cyanometalate Compounds Based on Triorganotin, Diorganotin, and Organooxotin Clusters","Organometallics","2006","25","26","5996","","10.1021/om060157l","","","0.71073","MoKα","","0.0978","0.0697","","","0.1528","0.168","","","","","","1.047","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4076679","26.859","0.003","26.859","0.003","24.152","0.003","90","","90","","90","","17423","4","236","2","236","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C168 H128 N16 Yb8 -","- C168 H128 N16 Yb8 -","- C672 H512 N64 Yb32 -","4","0.5","","Freckmann, Dominique M. M.; Dubé, Tiffany; Bérubé, Christian D.; Gambarotta, Sandro; Yap, Glenn P. A.","Cyclic Di- and Mixed-Valent Ytterbium Complexes Supported by Dipyrrolide Ligands","Organometallics","2002","21","6","1240","1246","10.1021/om010928f","","","0.71073","MoKα","","0.0738","0.0483","","","0.1475","0.1649","","","","","","1.029","","","","has coordinates","178655","2020-10-21","18:00:00",""
"4077290","19.5269","0.0014","19.5269","0.0014","12.2839","0.0012","90","","90","","90","","4683.8","0.7","143","2","143","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C96 H88 N8 O4 Pd4 -","- C98 H88 N8 O4 Pd4 -","- C196 H176 N16 O8 Pd8 -","2","0.25","","Vicente, José; Abad, José-Antonio; Förtsch, Walter; Jones, Peter G.; Fischer, Axel K.","Synthesis of Ortho-Palladated Phenol Derivatives. Study of Their Reactivity with Carbon Monoxide and Isonitriles","Organometallics","2001","20","13","2704","","10.1021/om010074z","","","0.71073","MoKα","","0.0915","0.0381","","","0.0983","0.1107","","","","","","0.908","","","","has coordinates","178661","2020-10-21","18:00:00",""
"4079100","18.15205","0.00009","18.15205","0.00009","13.4812","0.00009","90","","90","","90","","4442.01","0.04","173","","173","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C88 H120 Cu8 O16 -","- C56 H56 Cu8 O8 -","- C112 H112 Cu16 O16 -","2","0.25","","Bomparola, Roberta; Davies, Robert P.; Lal, Steven; White, Andrew J. P.","Functionalized Organocuprates: Structures of Lithium and Magnesium Grignard 2-Methoxyphenylcuprates","Organometallics","2012","31","22","7877","","10.1021/om300488j","","","1.54184","CuKα","","0.0646","0.0577","","","0.2155","0.224","","","","","","1.148","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079863","24.6864","0.0006","24.6864","0.0006","8.3649","0.0004","90","","90","","90","","5097.7","0.3","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C28.25 H30.5 Br Cl0.5 Ir N4 -","- C28.25 H30.5 Br Cl0.5 Ir N4 -","- C226 H244 Br8 Cl4 Ir8 N32 -","8","1","","Rahaman, S. M. Wahidur; Dinda, Shrabani; Sinha, Arup; Bera, Jitendra K.","A Noninnocent Cyclooctadiene (COD) in the Reaction of an “Ir(COD)(OAc)” Precursor with Imidazolium Salts","Organometallics","2013","32","1","192","","10.1021/om300982q","","","0.71073","MoKα","","0.0548","0.0378","","","0.0855","0.0943","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081245","35.639","0.0018","35.639","0.0018","9.3223","0.0008","90","","90","","90","","11840.6","1.3","100","2","100","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C71 H61 P4 Ru2 -","- C71 H61 P4 Ru2 -","- C568 H488 P32 Ru16 -","8","1","","Burgun, Alexandre; Gendron, Frédéric; Schauer, Phil A.; Skelton, Brian W.; Low, Paul J.; Costuas, Karine; Halet, Jean-François; Bruce, Michael I.; Lapinte, Claude","Straightforward Access to Tetrametallic Complexes with a Square Array by Oxidative Dimerization of Organometallic Wires","Organometallics","2013","32","18","5015","","10.1021/om4003768","","","0.71073","MoKα","","0.1514","0.0718","","","0.16","0.1915","","","","","","0.943","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083215","9.0499","0.0006","9.0499","0.0006","20.718","0.002","90","","90","","90","","1696.8","0.2","180","2","180","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C30 H23 Cl5 Ga N9 Pd Si -","- C30 H23 Cl5 Ga N9 Pd Si -","- C60 H46 Cl10 Ga2 N18 Pd2 Si2 -","2","0.25","","Wahlicht, Sven; Brendler, Erica; Heine, Thomas; Zhechkov, Lyuben; Wagler, Jörg","7-Azaindol-1-yl(organo)silanes and Their PdCl2Complexes: Pd-Capped Tetrahedral Silicon Coordination Spheres and Paddlewheels with a Pd‒Si Axis","Organometallics","2014","33","10","2479","","10.1021/om401220m","","","0.71073","MoKα","","0.0618","0.0352","","","0.0668","0.0733","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4088108","26.9936","0.001","26.9936","0.001","12.952","0.005","90","","90","","90","","9438","4","100","","100","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C200 H202.2 Au8 N8 -","- C200 H202.2 Au8 N8 -","- C400 H404.4 Au16 N16 -","2","0.25","","Roşca, Dragoş-Adrian; Bochmann, Manfred","Photochemical Disproportionation of an AuIIPincer Complex: Synthesis and Structure of an AuI4AuIII4Macrocycle","Organometallics","2015","35","1","27","","10.1021/acs.organomet.5b00846","","","0.71073","MoKα","","0.0806","0.0726","","","0.1735","0.1778","","","","","","1.23","","","","has coordinates,has disorder","237277","2020-10-21","18:00:00",""
"4100506","18.188","0.003","18.188","0.003","8.1281","0.0016","90","","90","","90","","2688.7","0.8","288","2","288","2","","","","","","","","6","P 4/n :2","-P 4a","85","CoL4","","","- C52 H60 Co N12 O12 S -","- C52 H60 Co N12 O12 S -","- C104 H120 Co2 N24 O24 S2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100507","17.958","0.003","17.958","0.003","8.0826","0.0016","90","","90","","90","","2606.6","0.7","4","2","4","2","","","","","","","","6","P 4/n :2","-P 4a","85","NiL4","","","- C52 H60 N12 Ni O12 S -","- C52 H60 N12 Ni O12 S -","- C104 H120 N24 Ni2 O24 S2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100508","18.028","0.003","18.028","0.003","8.1143","0.0016","90","","90","","90","","2637.2","0.7","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","NiL4","","","- C52 H60 N12 Ni O12 S -","- C52 H60 N12 Ni O12 S -","- C104 H120 N24 Ni2 O24 S2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178751","2020-10-21","18:00:00",""
"4100509","18.0055","0.0005","18.0055","0.0005","8.0891","0.0003","90","","90","","90","","2622.47","0.14","4","2","4","2","","","","","","","","6","P 4/n :2","-P 4a","85","Zn_4K_p4n","","","- C52 H60 N12 O12 S Zn -","- C52 H60 N12 O12 S Zn -","- C104 H120 N24 O24 S2 Zn2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100510","18.076","0.0005","18.076","0.0005","8.1208","0.0003","90","","90","","90","","2653.41","0.14","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","Zn_120K_P4n","","","- C52 H60 N12 O12 S Zn -","- C52 H60 N12 O12 S Zn -","- C104 H120 N24 O24 S2 Zn2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100511","18.124","0.0006","18.124","0.0006","8.1865","0.0003","90","","90","","90","","2689.1","0.16","296","2","296","2","","","","","","","","6","P 4/n :2","-P 4a","85","ZnL4 D19","","","- C52 H60 N12 O12 S Zn -","- C52 H60 N12 O12 S Zn -","- C104 H120 N24 O24 S2 Zn2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100513","18.07","0.003","18.07","0.003","8.0756","0.0016","90","","90","","90","","2636.9","0.7","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C52 H60 Co N12 O12 S -","- C52 H60 Co N12 O12 S -","- C104 H120 Co2 N24 O24 S2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100514","18.028","0.003","18.028","0.003","8.1143","0.0016","90","","90","","90","","2637.3","0.7","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C52 H60 N12 Ni O12 S -","- C52 H60 N12 Ni O12 S -","- C104 H120 N24 Ni2 O24 S2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100515","17.846","0.003","17.846","0.003","8.3019","0.0017","90","","90","","90","","2644","0.8","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C52 H60 Cu N12 O12 S -","- C52 H60 Cu N12 O12 S -","- C104 H120 Cu2 N24 O24 S2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052081a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4100516","18.076","0.0005","18.076","0.0005","8.1208","0.0003","90","","90","","90","","2653.41","0.14","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C52 H60 N12 O12 S Zn -","- C52 H60 N12 O12 S Zn -","- C104 H120 N24 O24 S2 Zn2 -","2","0.25","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178751","2020-10-21","18:00:00",""
"4110880","12.2382","0.0017","12.2382","0.0017","10.0176","0.0015","90","","90","","90","","1500.4","0.4","120","2","120","2","","","","","","","Gareth Bates","4","P 4/n :2","-P 4a","85","","","","- C32 H48 Cl N5 -","- C32.04 H48.12 Cl N5 -","- C64.08 H96.24 Cl2 N10 -","2","0.25","","Jonathan L. Sessler; Dustin E. Gross; Won-Seob Cho; Vincent M. Lynch; Franz P. Schmidtchen; Gareth W. Bates; Mark E. Light; Philip A. Gale","Calix[4]pyrrole as a Chloride Anion Receptor: Solvent and Countercation Effects","Journal of the American Chemical Society","2006","128","","12281","12288","10.1021/ja064012h","","","0.71073","MoKα","","0.1033","0.0611","","","0.147","0.1743","","","","","","1.031","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4111628","13.0725","0.0006","13.0725","0.0006","16.5571","0.0014","90","","90","","90","","2829.4","0.3","27","2","27","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) 0.5 dichloromethane solvate","","- C60.5 H61 Cl2 N8 O8 Ru2 -","- C60.5 H60 Cl2 N8 O8 Ru2 -","- C121 H120 Cl4 N16 O16 Ru4 -","2","0.25","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.045","0.0419","","","0.1079","0.1108","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111629","13.0675","0.0004","13.0675","0.0004","16.5408","0.0011","90","","90","","90","","2824.5","0.2","60","2","60","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) 0.5 dichloromethane solvate","","- C60.5 H61 Cl2 N8 O8 Ru2 -","- C60.5 H60 Cl2 N8 O8 Ru2 -","- C121 H120 Cl4 N16 O16 Ru4 -","2","0.25","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0454","0.0428","","","0.1113","0.1146","","","","","","1.138","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111630","13.0913","0.0004","13.0913","0.0004","16.5568","0.0011","90","","90","","90","","2837.5","0.2","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) 0.5 dichloromethane solvate","","- C60.5 H61 Cl2 N8 O8 Ru2 -","- C60.5 H60 Cl2 N8 O8 Ru2 -","- C121 H120 Cl4 N16 O16 Ru4 -","2","0.25","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0497","0.043","","","0.1079","0.1121","","","","","","1.015","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111631","13.1235","0.0004","13.1235","0.0004","16.5799","0.001","90","","90","","90","","2855.5","0.2","150","2","150","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) 0.5 dichloromethane solvate","","- C60.5 H61 Cl2 N8 O8 Ru2 -","- C60.5 H60 Cl2 N8 O8 Ru2 -","- C121 H120 Cl4 N16 O16 Ru4 -","2","0.25","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0491","0.0436","","","0.1108","0.1174","","","","","","1.07","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111632","13.1651","0.0004","13.1651","0.0004","16.6065","0.0011","90","","90","","90","","2878.2","0.2","220","2","220","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) 0.5 dichloromethane solvate","","- C30.25 H30.5 Cl N4 O4 Ru -","- C30.25 H30 Cl N4 O4 Ru -","- C121 H120 Cl4 N16 O16 Ru4 -","4","0.5","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0497","0.0422","","","0.1083","0.1171","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111633","13.246","0.0005","13.246","0.0005","16.6843","0.0013","90","","90","","90","","2927.4","0.3","299","2","299","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) 0.5 dichloromethane solvate","","- C60.5 H61 Cl2 N8 O8 Ru2 -","- C60.5 H60 Cl2 N8 O8 Ru2 -","- C121 H120 Cl4 N16 O16 Ru4 -","2","0.25","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0515","0.0411","","","0.1014","0.1121","","","","","","1.076","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113579","15.5078","0.001","15.5078","0.001","10.1836","0.0007","90","","90","","90","","2449.1","0.3","200","2","200","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C32 H68 I Li4 O8 Sr -","- C34 H I Li4 O11 Sr -","- C68 H2 I2 Li8 O22 Sr2 -","2","0.25","","Katharina M. Fromm; Estelle D. Gueneau; Gerald Bernardinelli; Helmut Goesmann; J. Weber; M.-J. Mayor-López; P. Boulet; H. Chermette","Understanding the Formation of New Clusters of Alkali and Alkaline Earth Metals: A New Synthetic Approach, Single-Crystal Structures, and Theoretical Calculations","Journal of the American Chemical Society","2003","125","","3593","3604","10.1021/ja0205737","","","0.71073","MoKα","","0.1008","0.0679","","","0.1884","0.213","","","","","","0.816","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113740","13.0013","0.0006","13.0013","0.0006","18.2767","0.0012","90","","90","","90","","3089.4","0.3","128","2","128","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C64 H95 O9 Rb -","- C60 H84 O8 Rb -","- C120 H168 O16 Rb2 -","2","0.25","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.0878","0.0606","","","0.1583","0.1727","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113839","22.597","0.003","22.597","0.003","8.705","0.004","90","","90","","90","","4445","2","296.2","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C16 H32 O3 P3 Rh -","- C16 H32 O3 P3 Rh -","- C128 H256 O24 P24 Rh8 -","8","1","","Jun-Chul Choi; Toshiyasu Sakakura","Oxidative Addition of C-H Bonds to RhCl(PMe3)3: Relevant to the Catalytic Transformation of Hydrocarbons","Journal of the American Chemical Society","2003","125","","7762","7763","10.1021/ja021375i","","","0.7107","MoKα","","","0.0494","","","","0.0775","","","","","","1.714","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113872","21.4715","0.0012","21.4715","0.0012","15.368","0.0011","90","","90","","90","","7085","0.8","153","","","","","","","","","","Local laboratory","4","P 4/n :2","-P 4a","85","","","","- C16 H22 O4 S -","- C16 H22 O4 S -","- C256 H352 O64 S16 -","16","2","","Takashi Otani; Jun Takayama; Yoshiaki Sugihara; Akihiko Ishii; Juzo Nakayama","π-Face-Selective Diels-Alder Reactions of 3,4-Di-tert-butylthiophene 1-Oxide and 1-Imide and Formation of 1,2-Thiazetidines","Journal of the American Chemical Society","2003","125","","8255","8263","10.1021/ja029867i","","","0.71073","MoKα","","0.2258","0.0991","","","0.2441","0.2741","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114604","29.8134","0.0005","29.8134","0.0005","16.9925","0.0003","90","","90","","90","","15103.6","0.4","296","","296","","","","","","","","","6","P 4/n :2","-P 4a","85","","[Ca8(O3POC6H3(NHCOPh)2)8(H2O)12(dmf)8]-8(DMF)-11(H2O)","","- C208 H278 Ca8 N32 O87 P8 -","- C201.412 H224.628 Ca8 N29.804 O84.804 P8 -","- C402.824 H449.256 Ca16 N59.608 O169.608 P16 -","2","0.25","","Akira Onoda; Yusuke Yamada; Taka-aki Okamura; Mototsugu Doi; Hitoshi Yamamoto; Norikazu Ueyama","Synthesis of Zigzag-Chain and Cyclic-Octanuclear Calcium Complexes and Hexanuclear Bulky Aryl-Phosphate Sodium Complexes with Ortho-Amide Groups: Structural Transformation Involving a Network of Inter- and Intramolecular Hydrogen Bonds","Journal of the American Chemical Society","2002","124","","1052","1059","10.1021/ja011457r","","","0.71069","MoKα","","0.2491","0.1052","","","0.286","0.3395","","","","","","0.803","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114964","11.3723","0.0016","11.3723","0.0016","21.02","0.004","90","","90","","90","","2718.5","0.7","150","2","150","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C62 H61 N7 O8 -","- C62 H61 N7 O8 -","- C124 H122 N14 O16 -","2","0.25","","Christopher J. Woods; Salvatore Camiolo; Mark E. Light; Simon J. Coles; Michael B. Hursthouse; Michael A. King; Philip A. Gale; Jonathan W. Essex","Fluoride-Selective Binding in a New Deep Cavity Calix[4]pyrrole: Experiment and Theory","Journal of the American Chemical Society","2002","124","","8644","8652","10.1021/ja025572t","","","0.71073","MoKα","","0.099","0.0518","","","0.1258","0.1511","","","","","","1.018","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4115009","13.561","0.011","13.561","0.011","8.533","0.0003","90","","90","","90","","1569.2","1.8","213","2","213","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C28 H48 Cl Mo2 N12 -","- C28 H48 Cl Mo2 N12 -","- C56 H96 Cl2 Mo4 N24 -","2","0.25","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Daren J. Timmons; Chad C. Wilkinson","The Extraordinary Ability of Guanidinate Derivatives to Stabilize Higher Oxidation Numbers in Dimetal Units by Modification of Redox Potentials: Structures of Mo25+ and Mo26+ Compounds","Journal of the American Chemical Society","2002","124","","9249","9256","10.1021/ja0266464","","","0.71073","MoKα","","0.0639","0.0531","","0.1128","0.1032","","","","1.213","1.221","1.221","","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4117052","13.803","0.008","13.803","0.002","14.946","0.0003","90","","90","","90","","2847.6","1.7","213","2","213","2","","","","","","","synthesis","5","P 4/n :2","-P 4a","85","","","","- C60 H48 Cl2 Co4 N18 -","- C60 H48 Cl2 Co4 N18 -","- C120 H96 Cl4 Co8 N36 -","2","0.25","","F. Albert Cotton; Lee M. Daniels; Glenn T. Jordan; Carlos A. Murillo","Symmetrical and Unsymmetrical Compounds Having a Linear Co36+ Chain Ligated by a Spiral Set of Dipyridyl Anions","Journal of the American Chemical Society","1997","119","","10377","10381","10.1021/ja971997h","","","0.71073","MoKα","","0.0503","0.0393","","0.0993","0.0908","","","","1.112","1.128","1.128","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117294","17.1599","0.0008","17.1599","0.0008","9.3979","0.0004","90","","90","","90","","2767.3","0.2","150","0.1","150","0.1","","","","","","","","5","P 4/n :2","-P 4a","85","","1,6,11,16-Tetrakis[2-(acethylthioethyl)phenyl]porphyrine","","- C62 H57 N5 O4 S4 -","- C60.5 H57 N4.25 O4 S4 -","- C121 H114 N8.5 O8 S8 -","2","0.25","","Masanori Sakamoto; Daisuke Tanaka; Hironori Tsunoyama; Tatsuya Tsukuda; Yoshihiro Minagawa; Yutaka Majima; Toshiharu Teranishi","Platonic Hexahedron Composed of Six Organic Faces with an Inscribed Au Cluster","Journal of the American Chemical Society","2012","134","","816","819","10.1021/ja209634g","","","0.71073","MoKα","","0.0647","0.0458","","","0.1124","0.1244","","","","","","0.978","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117295","28.9318","0.0004","28.9318","0.0004","10.3646","0.0003","90","","90","","90","","8675.7","0.3","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C134 H125 Cd7 Cl5 N18 O40.5 -","- C134 H125 Cd7 Cl5 N18 O40.52 -","- C268 H250 Cd14 Cl10 N36 O81.04 -","2","0.25","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Patrick Nugent; Mohamed Eddaoudi; Michael J. Zaworotko","Templated Synthesis, Postsynthetic Metal Exchange, and Properties of a Porphyrin-Encapsulating Metal-Organic Material","Journal of the American Chemical Society","2012","134","","924","927","10.1021/ja209643b","","","1.54178","CuKα","","0.0787","0.064","","","0.1574","0.1648","","","","","","1.097","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117296","28.505","0.0017","28.505","0.0017","10.3718","0.0007","90","","90","","90","","8427.5","0.9","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C108 H78 Cl5 Mn7 N8 O35 -","- C108 H78 Cl5 Mn7 N8 O35.04 -","- C216 H156 Cl10 Mn14 N16 O70.08 -","2","0.25","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Patrick Nugent; Mohamed Eddaoudi; Michael J. Zaworotko","Templated Synthesis, Postsynthetic Metal Exchange, and Properties of a Porphyrin-Encapsulating Metal-Organic Material","Journal of the American Chemical Society","2012","134","","924","927","10.1021/ja209643b","","","1.54178","CuKα","","0.0874","0.0685","","","0.1902","0.2012","","","","","","1.029","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117297","29.2846","0.0009","29.2846","0.0009","9.9941","0.0004","90","","90","","90","","8570.8","0.5","293","2","293","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C104 H64 Cd2 Cl4 Cu5 N8 O26.5 -","- C104 H64 Cd2 Cl4 Cu5 N8 O26.5 -","- C208 H128 Cd4 Cl8 Cu10 N16 O53 -","2","0.25","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Patrick Nugent; Mohamed Eddaoudi; Michael J. Zaworotko","Templated Synthesis, Postsynthetic Metal Exchange, and Properties of a Porphyrin-Encapsulating Metal-Organic Material","Journal of the American Chemical Society","2012","134","","924","927","10.1021/ja209643b","","","1.54178","CuKα","","0.1211","0.0688","","","0.1403","0.1508","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119590","19.8548","0.0014","19.8548","0.0014","10.2313","0.0007","90","","90","","90","","4033.3","0.5","123","2","123","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C76 H104 Al F24 O4 P2 -","- C76 H104 Al F24 O4 P2 -","- C152 H208 Al2 F48 O8 P4 -","2","0.25","","Xiaobo Pan; Yuanting Su; Xiaoyu Chen; Yue Zhao; Yizhi Li; Jinglin Zuo; Xinping Wang","Stable Tetraaryldiphosphine Radical Cation and Dication","Journal of the American Chemical Society","2013","135","","5561","5564","10.1021/ja402492u","","","0.71073","MoKα","","0.0798","0.0578","","","0.153","0.1563","","","","","","1.058","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4121435","23.101","0.009","23.101","0.009","46.775","0.018","90","","90","","90","","24962","17","100","2","100","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C188 H152 Ag Au2 B7 Cu8 F28 N36 -","- C188 H152 Ag Au2 B4 Cu8 F16 N36 -","- C376 H304 Ag2 Au4 B8 Cu16 F32 N72 -","2","0.25","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","0.6889","synchrotron","","0.1175","0.0986","","","0.2563","0.2719","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121526","39.1799","0.0004","39.1799","0.0004","34.8255","0.001","90","","90","","90","","53459.4","1.7","150","2","150","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C142 H88 Ir N40 O22 Pd1.5 Ru2 -","- C142 H88 Ir N40 O22 Pd1.5 Ru2 -","- C1136 H704 Ir8 N320 O176 Pd12 Ru16 -","8","1","","Li, Kang; Zhang, Lu-Yin; Yan, Cheng; Wei, Shi-Chao; Pan, Mei; Zhang, Li; Su, Cheng-Yong","Stepwise Assembly of Pd6(RuL3)8 Nanoscale Rhombododecahedral Metal-Organic Cages via Metalloligand Strategy for Guest Trapping and Protection.","Journal of the American Chemical Society","2014","136","12","4456","4459","10.1021/ja410044r","","","1.54178","CuKα","","0.1566","0.0872","","","0.1787","0.1977","","","","","","0.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122225","18.7465","0.0008","18.7465","0.0008","14.7998","0.0007","90","","90","","90","","5201.1","0.4","233","2","233","2","","","","","","","","5","P 4/n :2","-P 4a","85","Benzo-TTF-C4P TBAF C60","Benzo-tetrathiafluvalene-calix[4]pyrrole-fullerene(C60)-Tetrabutylammonium fluoride","","- C136 H80 F N5 S16 -","- C136 H80 F N5 S16 -","- C272 H160 F2 N10 S32 -","2","0.25","","Davis, Christina M.; Lim, Jong Min; Larsen, Karina R.; Kim, Dong Sub; Sung, Young Mo; Lyons, Dani M.; Lynch, Vincent M.; Nielsen, Kent A.; Jeppesen, Jan O.; Kim, Dongho; Park, Jung Su; Sessler, Jonathan L.","Ion-Regulated Allosteric Binding of Fullerenes (C60 and C70) by Tetrathiafulvalene-Calix[4]pyrroles.","Journal of the American Chemical Society","2014","136","29","10410","10417","10.1021/ja504077f","","","0.71075","MoKα","","0.1287","0.1079","","","0.3074","0.3329","","","","","","1.067","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4126063","21.388","0.004","21.388","","12.031","0.004","90","","90","","90","","5504","2","298","","298","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C26 H20 N4 O6 Zn -","- C26 H20 N4 O6 Zn -","- C208 H160 N32 O48 Zn8 -","8","1","","Pei, Wen-Yuan; Xu, Guohai; Yang, Jin; Wu, Hui; Chen, Banglin; Zhou, Wei; Ma, Jian-Fang","Versatile Assembly of Metal-Coordinated Calix[4]resorcinarene Cavitands and Cages through Ancillary Linker Tuning.","Journal of the American Chemical Society","2017","139","22","7648","7656","10.1021/jacs.7b03169","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.04794","","4.46","","","","","","","has coordinates","199577","2020-10-21","18:00:00",""
"4126064","25.8236","0.001","25.8236","0.001","12.2441","0.0013","90","","90","","90","","8165.1","1","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C122 H126 N22 O32 Zn4 -","- C104 H80 N16 O24 Zn4 -","- C208 H160 N32 O48 Zn8 -","2","0.25","","Pei, Wen-Yuan; Xu, Guohai; Yang, Jin; Wu, Hui; Chen, Banglin; Zhou, Wei; Ma, Jian-Fang","Versatile Assembly of Metal-Coordinated Calix[4]resorcinarene Cavitands and Cages through Ancillary Linker Tuning.","Journal of the American Chemical Society","2017","139","22","7648","7656","10.1021/jacs.7b03169","","","0.71073","MoKα","","0.1845","0.0795","","","0.2131","0.2482","","","","","","0.854","","","","has coordinates","199577","2020-10-21","18:00:00",""
"4126066","26.2705","0.0007","26.2705","0.0007","12.6469","0.001","90","","90","","90","","8728.1","0.8","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C139 H123 N21 O29 Zn4 -","- C124 H88 N16 O24 Zn4 -","- C248 H176 N32 O48 Zn8 -","2","0.25","","Pei, Wen-Yuan; Xu, Guohai; Yang, Jin; Wu, Hui; Chen, Banglin; Zhou, Wei; Ma, Jian-Fang","Versatile Assembly of Metal-Coordinated Calix[4]resorcinarene Cavitands and Cages through Ancillary Linker Tuning.","Journal of the American Chemical Society","2017","139","22","7648","7656","10.1021/jacs.7b03169","","","0.71073","MoKα","","0.139","0.0771","","","0.2227","0.2532","","","","","","0.883","","","","has coordinates","199577","2020-10-21","18:00:00",""
"4126067","25.847","0.0009","25.847","0.0009","12.2338","0.0011","90","","90","","90","","8173","0.8","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C113 H99 N15 O32 Zn4 -","- C104 H76 N12 O28 Zn4 -","- C208 H152 N24 O56 Zn8 -","2","0.25","","Pei, Wen-Yuan; Xu, Guohai; Yang, Jin; Wu, Hui; Chen, Banglin; Zhou, Wei; Ma, Jian-Fang","Versatile Assembly of Metal-Coordinated Calix[4]resorcinarene Cavitands and Cages through Ancillary Linker Tuning.","Journal of the American Chemical Society","2017","139","22","7648","7656","10.1021/jacs.7b03169","","","0.71073","MoKα","","0.1617","0.0825","","","0.2375","0.2697","","","","","","0.796","","","","has coordinates","199577","2020-10-21","18:00:00",""
"4130555","38.523","0.0006","38.523","0.0006","14.3978","0.0003","90","","90","","90","","21366.6","0.6","100","","100","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C123 H114 N6 O6 -","- C123 H114 N6 O6 -","- C984 H912 N48 O48 -","8","1","","Das, Soumyajit; Herng, Tun Seng; Zafra, José L; Burrezo, Paula Mayorga; Kitano, Masaaki; Ishida, Masatoshi; Gopalakrishna, Tullimilli Y.; Hu, Pan; Osuka, Atsuhiro; Casado, Juan; Ding, Jun; Casanova, David; Wu, Jishan","Fully Fused Quinoidal/Aromatic Carbazole Macrocycles with Poly-radical Characters.","Journal of the American Chemical Society","2016","138","24","7782","7790","10.1021/jacs.6b04539","","","0.71075","MoKα","","0.1733","0.1179","","","0.3424","0.3812","","","","","","1.343","","","","has coordinates,has disorder","240963","2020-10-21","18:00:00",""
"4135464","35.295","0.003","35.295","0.003","26.356","0.003","90","","90","","90","","32833","5","141.68","","141.68","","","","","","","","","7","P 4/n :2","-P 4a","85","","202209d","","- C82.7 H72 F4 N2.7 O9.3 Rh2.7 S1.3 -","- C496 H432 F24 N16 O56 Rh16 S8 -","- C992 H864 F48 N32 O112 Rh32 S16 -","2","0.25","","Zhang, Hai-Ning; Lin, Yue-Jian; Jin, Guo-Xin","Selective Construction of Very Large Stacking-Interaction-Induced Molecular 818 Metalla-knots and Borromean Ring Using Curved Dipyridyl Ligands","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11925","","","1.34139","synchrotron","","0.1339","0.1051","","","0.3156","0.3676","","","","","","1.2154","","","","has coordinates","260311","2021-01-01","00:12:12",""
"4300787","14.5894","0.0011","14.5894","0.0011","8.5601","0.0009","90","","90","","90","","1822","0.3","153","2","153","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C37 H32 Ag F3 N4 O7 S -","- C36 H32 Ag N4 O4 -","- C72 H64 Ag2 N8 O8 -","2","0.25","","Oh, Moonhyun; Stern, Charlotte L.; Mirkin, Chad A.","Coordination Polymers from Silver(I) and Bifunctional Pyridyl Ligands","Inorganic Chemistry","2005","44","8","2647","2653","10.1021/ic0482990","","","0.71073","MoKα","","0.0646","0.0436","","","0.108","0.1146","","","","","","0.961","","","","has coordinates","182014","2020-10-21","18:00:00",""
"4301265","19.038","0.005","19.038","0.005","8.374","0.004","90","","90","","90","","3035.1","1.8","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C46 H60 Cl4 Cu4 N9 O24 -","- C46 H60 Cl4 Cu4 N9 O24 -","- C92 H120 Cl8 Cu8 N18 O48 -","2","0.25","","Himanshu Arora; Francesc Lloret; Rabindranath Mukherjee","One-Dimensional CoII and CuII Coordination Polymers and a Discrete CuII4 Complex of Carboxylate-Appended (2-Pyridyl)alkylamine Ligands: Spin-Canting and Anti-/Ferromagnetic Coupling","Inorganic Chemistry","2009","48","","1158","1167","10.1021/ic800861m","","","0.71073","MoKα","","0.1946","0.0953","","","0.1821","0.2219","","","","","","1.074","","","","has coordinates","179050","2020-10-21","18:00:00",""
"4301792","15.2141","0.0001","15.2141","0.0001","13.2235","0.0002","90","","90","","90","","3060.83","0.05","223","2","223","2","","","","","","","Synthesized by the authors. See text","7","P 4/n :2","-P 4a","85","","","","- C57 H64 B Cu F4 N8 O10 -","- C57 H64 B Cu F4 N8 O10 -","- C114 H128 B2 Cu2 F8 N16 O20 -","2","0.25","","Patrick E. Ryan; Christophe Lescop; Dominic Laliberté; Tamara Hamilton; Thierry Maris; James D. Wuest","Engineering New Metal-Organic Frameworks Built from Flexible Tetrapyridines Coordinated to Cu(II) and Cu(I)","Inorganic Chemistry","2009","48","","2793","2807","10.1021/ic8019809","","","1.54178","CuKα","","0.0583","0.0422","","","0.099","0.1234","","","","","","0.928","","","","has coordinates,has disorder","179055","2020-10-21","18:00:00",""
"4303344","12.9854","0.0002","12.9854","0.0002","8.8601","0.0003","90","","90","","90","","1494","0.06","200","2","200","2","","","","","","","","5","P 4/n :2","-P 4a","85","strontiumtetrazol-5-carboxylate","","","- C2 H4 N4 O4.75 Sr -","- C2 H4 N4 O4.75 Sr -","- C16 H32 N32 O38 Sr8 -","8","1","","Vera Hartdegen; Thomas M. Klapötke; Stefan M. Sproll","Tetrazole-5-carboxylic Acid Based Salts of Earth Alkali and Transition Metal Cations","Inorganic Chemistry","2009","48","","9549","9556","10.1021/ic901413n","","","0.71073","MoKα","","0.0365","0.0196","","","0.0341","0.0351","","","","","","0.882","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4303419","18.409","0.005","18.409","0.005","11.11","0.003","90","","90","","90","","3765.1","1.8","100","2","100","2","","","","","","","","5","P 4/n :2","-P 4a","85","Ru2(TPG)4Cl,(CH2Cl2)4","","","- C80 H72 Cl9 N12 Ru2 -","- C80 H72 Cl9 N12 Ru2 -","- C160 H144 Cl18 N24 Ru4 -","2","0.25","","József S. Pap; Jamie L. Snyder; Paula M. B. Piccoli; John F. Berry","Chloro and Azido Diruthenium Complexes Bearing Electron-Rich N,N',N''-Triphenylguanidinate Ligands","Inorganic Chemistry","2009","48","","9846","9852","10.1021/ic901419w","","","0.71073","MoKα","","0.0361","0.027","","","0.0744","0.0885","","","","","","1.201","","","","has coordinates,has disorder","179072","2020-10-21","18:00:00",""
"4304525","24.3751","0.0012","24.3751","0.0012","14.1764","0.001","90","","90","","90","","8422.8","0.8","90","2","90","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C119 H120 Ca2 Mn12 N44 O65 -","- C119 H120 Ca2 Mn12 N43.892 O64.716 -","- C238 H240 Ca4 Mn24 N87.784 O129.432 -","2","0.25","","Theocharis C. Stamatatos; Brian S. Luisi; Brian Moulton; George Christou","Employment of 2,6-Diacetylpyridine Dioxime as a New Route to High Nuclearity Metal Clusters: Mn6 and Mn8 Complexes","Inorganic Chemistry","2008","47","","1134","1144","10.1021/ic7020269","","","0.71073","MoKα","","0.07","0.0602","","","0.1687","0.1791","","","","","","1.076","","","","has coordinates,has disorder","179083","2020-10-21","18:00:00",""
"4305309","28.329","0.004","28.329","0.004","21.824","0.004","90","","90","","90","","17514","5","100","2","100","2","","","","","","","","9","P 4/n :2","-P 4a","85","","","","- C80 H86.5 Al Cl2 F6 Ir N6 O3.75 P -","- C80 H86.5 Al Cl2 F6 Ir N6 O3.75 P -","- C640 H692 Al8 Cl16 F48 Ir8 N48 O30 P8 -","8","1","","Jung Oh Huh; Min Hyung Lee; Hyosook Jang; Kyu Young Hwang; Jong Soon Lee; Se Hun Kim; Youngkyu Do","A Novel Solution-Processible Heterodinuclear AlIII/IrIII Complex for Host-Dopant Assembly OLEDs","Inorganic Chemistry","2008","47","","6566","6568","10.1021/ic8002806","","","0.71","synchrotron","","0.1045","0.0787","","","0.2271","0.2563","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4305892","19.4389","0.0007","19.4389","0.0007","18.3815","0.001","90","","90","","90","","6945.8","0.5","200","2","200","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C150 H115 Dy5 O25 -","- C150 H108 Dy5 O25 -","- C300 H216 Dy10 O50 -","2","0.25","","Michael T. Gamer; Yanhua Lan; Peter W. Roesky; Annie K. Powell; Rodolphe Clérac","Pentanuclear Dysprosium Hydroxy Cluster Showing Single-Molecule-Magnet Behavior","Inorganic Chemistry","2008","47","","6581","6583","10.1021/ic8008255","","","0.71073","MoKα","","0.0604","0.0451","","","0.1307","0.1393","","","","","","1.015","","","","has coordinates,has disorder","179096","2020-10-21","18:00:00",""
"4306493","22.3836","0.0004","22.3836","0.0004","9.876","0.0004","90","","90","","90","","4948.1","0.2","173","2","173","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C42 H53 Ag2 Cl2 O14.5 S4 -","- C42 H52 Ag2 Cl2 O14.5 S4 -","- C168 H208 Ag8 Cl8 O58 S16 -","4","0.5","","Hyun Jee Kim; Shim Sung Lee","Anion-Controlled Endo- and Exocyclic Disilver(I) Complexes of an S2O3 Macrocycle","Inorganic Chemistry","2008","47","","10807","10809","10.1021/ic801316e","","","0.71073","MoKα","","0.1023","0.0608","","","0.1795","0.2248","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310550","15.5421","0.001","15.5421","0.001","9.8885","0.0009","90","","90","","90","","2388.6","0.3","223","2","223","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C50 H42 Cl F8 N8 Ru2 -","- C47.6 H36.4 Cl F8 N8 Ru2 -","- C95.2 H72.8 Cl2 F16 N16 Ru4 -","2","0.25","","Karl M. Kadish; Tuan D. Phan; Lingamallu Giribabu; Jianguo Shao; Li-Lun Wang; Antoine Thuriere; Eric Van Caemelbecke; John L. Bear","Electrochemical and Spectroelectrochemical Characterization of Ru24+ and Ru23+ Complexes under a CO Atmosphere","Inorganic Chemistry","2004","43","","1012","1020","10.1021/ic035026g","","","0.71073","MoKα","","0.0513","0.0339","","","0.0897","0.1062","","","","","","1.119","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310867","16.251","0.001","16.251","0.001","5.9681","0.0005","90","","90","","90","","1576.15","0.19","295","2","295","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- As4 Cs2 O14 Pd3 -","- As8 Cs4 O28 Pd6 -","- As16 Cs8 O56 Pd12 -","2","0.25","","Kwang-Hwa Lii; Sue-Lein Wang; Fen-Ling Liao","Cs2Pd3(P2O7)2 and Cs2Pd3(As2O7)2: A 3D Palladium Phosphate with a Tunnel Structure and a 2D Palladium Arsenate Containing Strings of Palladium Atoms","Inorganic Chemistry","2004","43","","2499","2502","10.1021/ic035438p","","","0.71073","MoKα","","0.0375","0.0271","","","0.0604","0.0814","","","","","","1.116","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310888","13.1872","0.0003","13.1872","0.0003","7.9201","0.0004","90","","90","","90","","1377.32","0.08","213","2","213","2","","","","","","","","7","P 4/n :2","-P 4a","85","none","PtCr(tc)Cl","","- C24 H40 Cl Cr N4 Pt S4 -","- C24 H40 Cl Cr N4 Pt S4 -","- C48 H80 Cl2 Cr2 N8 Pt2 S8 -","2","0.25","","Thomas A. Scott; Besma Abbaoui; Hong-Cai Zhou","Crystallographic Evidence for Chromium-Platinum Interaction","Inorganic Chemistry","2004","43","","2459","2461","10.1021/ic049968c","","","0.71073","MoKα","","0.0246","0.0239","","","0.0636","0.0641","","","","","","1.104","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310889","12.5717","0.0003","12.5717","0.0003","12.5475","0.0006","90","","90","","90","","1983.1","0.12","213","2","213","2","","","","","","","","9","P 4/n :2","-P 4a","85","none","tetrakis(dimethylformamide)lithium tetrakis (mu2-2-mercaptopyridinate)chlorochromium(II)platinate(II)","","- C32 H44 Cl Cr Li N8 O4 Pt S4 -","- C32 H44 Cl Cr Li N8 O4 Pt S4 -","- C64 H88 Cl2 Cr2 Li2 N16 O8 Pt2 S8 -","2","0.25","","Thomas A. Scott; Besma Abbaoui; Hong-Cai Zhou","Crystallographic Evidence for Chromium-Platinum Interaction","Inorganic Chemistry","2004","43","","2459","2461","10.1021/ic049968c","","","0.71073","MoKα","","0.0131","0.013","","","0.0337","0.0337","","","","","","1.118","","","","has coordinates,has disorder","179147","2020-10-21","18:00:00",""
"4311339","26.2633","0.0007","26.2633","0.0007","9.3983","0.0005","90","","90","","90","","6482.6","0.4","150","2","150","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C31 H24 Ag F6 N4 Sb -","- C31 H24 Ag F6 N4 Sb -","- C248 H192 Ag8 F48 N32 Sb8 -","8","1","","Yu-Bin Dong; Peng Wang; Ru-Qi Huang; Mark D. Smith","Syntheses and Structures of Ag(I)-Containing Coordination Polymers and Co(II)-Containing Supramolecular Complex Based on Novel Fulvene Ligands","Inorganic Chemistry","2004","43","","4727","4739","10.1021/ic0495517","","","0.71073","MoKα","","0.054","0.0479","","","0.1262","0.1299","","","","","","1.079","","","","has coordinates,has disorder","179152","2020-10-21","18:00:00",""
"4312262","13.1343","0.0006","13.1343","0.0006","16.5787","0.0016","90","","90","","90","","2860","0.3","213","2","213","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) dichloromethane solvate","","- C60.5 H61 Cl2 N8 O8 Ru2 -","- C60.5 H60 Cl2 N8 O8 Ru2 -","- C121 H120 Cl4 N16 O16 Ru4 -","2","0.25","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Paramagnetic Precursors for Supramolecular Assemblies: Selective Syntheses, Crystal Structures, and Electrochemical and Magnetic Properties of Ru2(O2CMe)4-n(formamidinate)nCl Complexes,n= 1-4","Inorganic Chemistry","2004","43","","8290","8300","10.1021/ic049108w","","","0.71073","MoKα","","0.0276","0.0233","","","0.062","0.066","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313936","23.1578","0.001","23.1578","0.001","14.9189","0.001","90","","90","","90","","8000.8","0.7","173","2","173","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C81 H215 Cl14 N20 O93 Tb5 -","- C81 H163 Cl14 N20 O93 Tb5 -","- C162 H326 Cl28 N40 O186 Tb10 -","2","0.25","","Marlon K. Thompson; Alan J. Lough; Andrew J. P. White; David J. Williams; Ishenkumba A. Kahwa","Formation of Two Diverse Classes of Poly(amino-alkoxide) Chelates and Their Mononuclear and Polynuclear Lanthanide(III) Complexes","Inorganic Chemistry","2003","42","","4828","4841","10.1021/ic020154a","","","1.54178","CuKα","","0.1218","0.0791","","0.2514","0.2035","","","","1.055","1.15","1.15","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4315191","19.693","0.003","19.693","0.003","19.102","0.004","90","","90","","90","","7408","2","153","1","153","1","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C164 H125 Nd5 O25 -","- C164 H125 Nd5 O25 -","- C328 H250 Nd10 O50 -","2","0.25","","Xiao-Yan Chen; Xiaoping Yang; Bradley J. Holliday","Metal-Controlled Assembly of Near-Infrared-Emitting Pentanuclear Lanthanide β-Diketone Clusters","Inorganic Chemistry","2010","49","","2583","2585","10.1021/ic902513z","","","0.71073","MoKα","","0.0604","0.0477","","","0.1525","0.1702","","","","","","1.188","","","","has coordinates","179231","2020-10-21","18:00:00",""
"4315193","19.557","0.003","19.557","0.003","19.065","0.004","90","","90","","90","","7292","2","153","1","153","1","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C164 H125 Er5 O25 -","- C164 H125 Er5 O25 -","- C328 H250 Er10 O50 -","2","0.25","","Xiao-Yan Chen; Xiaoping Yang; Bradley J. Holliday","Metal-Controlled Assembly of Near-Infrared-Emitting Pentanuclear Lanthanide β-Diketone Clusters","Inorganic Chemistry","2010","49","","2583","2585","10.1021/ic902513z","","","0.71073","MoKα","","0.0889","0.0618","","","0.1794","0.2069","","","","","","1.062","","","","has coordinates","179231","2020-10-21","18:00:00",""
"4315194","19.49","0.003","19.49","0.003","19.066","0.004","90","","90","","90","","7242","2","153","1","153","1","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C164 H125 O25 Yb5 -","- C164 H125 O25 Yb5 -","- C328 H250 O50 Yb10 -","2","0.25","","Xiao-Yan Chen; Xiaoping Yang; Bradley J. Holliday","Metal-Controlled Assembly of Near-Infrared-Emitting Pentanuclear Lanthanide β-Diketone Clusters","Inorganic Chemistry","2010","49","","2583","2585","10.1021/ic902513z","","","0.71073","MoKα","","0.0548","0.0404","","","0.1198","0.1335","","","","","","1.105","","","","has coordinates","179231","2020-10-21","18:00:00",""
"4316042","15.3199","0.0011","15.3199","0.0011","7.5129","0.0011","90","","90","","90","","1763.3","0.3","120","1","120","1","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C16 H43 Dy N12 O27 -","- C8 H24 Dy N12 O25 -","- C16 H48 Dy2 N24 O50 -","2","0.25","","George S. Goff; Michael R. Cisneros; Chandra Kluk; Kevin Williamson; Brian Scott; Sean Reilly; Wolfgang Runde","Synthesis and Structural Characterization of Molecular Dy(III) and Er(III) Tetra-Carbonates","Inorganic Chemistry","2010","49","","6558","6564","10.1021/ic1004598","","","0.71073","MoKα","","0.082","0.0809","","","0.2644","0.2652","","","","","","2.661","","","","has coordinates","179240","2020-10-21","18:00:00",""
"4316529","25.5198","0.0013","25.5198","0.0013","16.9538","0.0017","90","","90","","90","","11041.3","1.4","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C18 H36 Fe N9 O3 S3 -","- C18 H36 Fe N9 O3 S3 -","- C288 H576 Fe16 N144 O48 S48 -","16","2","","Karthik Ramasamy; Mohammad A. Malik; Madeline Helliwell; Floriana Tuna; Paul O'Brien","Iron Thiobiurets: Single-Source Precursors for Iron Sulfide Thin Films","Inorganic Chemistry","2010","49","","8495","8503","10.1021/ic1011204","","","0.71073","MoKα","","0.1638","0.077","","","0.212","0.2568","","","","","","0.961","","","","has coordinates,has disorder","179245","2020-10-21","18:00:00",""
"4317125","19.1633","0.0003","19.1633","0.0003","15.4901","0.0004","90","","90","","90","","5688.46","0.19","290","","290","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C80 H121 O42 Y7.34 Yb1.66 -","- C80 H121 O42 Y7.342 Yb1.658 -","- C160 H242 O84 Y14.684 Yb3.316 -","2","0.25","","François Baril-Robert; Sarah Petit; Guillaume Pilet; Guillaume Chastanet; Christian Reber; Dominique Luneau","Site-Selective Lanthanide Doping in a Nonanuclear Yttrium(III) Cluster Revealed by Crystal Structures and Luminescence Spectra","Inorganic Chemistry","2010","49","","10970","10976","10.1021/ic1011082","","","0.71073","MoKα","","0.1155","0.0751","","0.1218","0.0765","0.0721","","","","","","1.0127","","","","has coordinates","179251","2020-10-21","18:00:00",""
"4317126","19.251","0.003","19.251","0.003","15.5601","0.0004","90","","90","","90","","5766.6","1.3","293","","293","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C80 H122 Dy1.98 O42.5 Y7.02 -","- C80 H122 Dy1.9797 O42.5 Y7.0203 -","- C160 H244 Dy3.9594 O85 Y14.0406 -","2","0.25","","François Baril-Robert; Sarah Petit; Guillaume Pilet; Guillaume Chastanet; Christian Reber; Dominique Luneau","Site-Selective Lanthanide Doping in a Nonanuclear Yttrium(III) Cluster Revealed by Crystal Structures and Luminescence Spectra","Inorganic Chemistry","2010","49","","10970","10976","10.1021/ic1011082","","","0.71073","MoKα","","0.0802","0.0415","","0.0678","0.0448","0.0414","","","","","","1.0136","","","","has coordinates","179251","2020-10-21","18:00:00",""
"4317127","19.1463","0.0002","19.1463","0.0002","15.5273","0.0002","90","","90","","90","","5692.01","0.11","293","","293","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C80 H121 O42 Tb1.95 Y7.05 -","- C80 H121 O42 Tb1.9479 Y7.0521 -","- C160 H242 O84 Tb3.8958 Y14.1042 -","2","0.25","","François Baril-Robert; Sarah Petit; Guillaume Pilet; Guillaume Chastanet; Christian Reber; Dominique Luneau","Site-Selective Lanthanide Doping in a Nonanuclear Yttrium(III) Cluster Revealed by Crystal Structures and Luminescence Spectra","Inorganic Chemistry","2010","49","","10970","10976","10.1021/ic1011082","","","0.71073","MoKα","","0.0714","0.0385","","0.0732","0.0425","0.0404","","","","","","1.1077","","","","has coordinates","179251","2020-10-21","18:00:00",""
"4317128","19.006","0.0004","19.006","0.0004","15.5001","0.0003","90","","90","","90","","5599.1","0.2","293","","293","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C80 H122 O45 Pr0.23 Y8.77 -","- C80 H127 O45 Pr0.2282 Y8.7718 -","- C160 H254 O90 Pr0.4564 Y17.5436 -","2","0.25","","François Baril-Robert; Sarah Petit; Guillaume Pilet; Guillaume Chastanet; Christian Reber; Dominique Luneau","Site-Selective Lanthanide Doping in a Nonanuclear Yttrium(III) Cluster Revealed by Crystal Structures and Luminescence Spectra","Inorganic Chemistry","2010","49","","10970","10976","10.1021/ic1011082","","","0.71073","MoKα","","0.1134","0.0463","","0.1022","0.0509","0.0509","","","","","","1.074","","","","has coordinates","179251","2020-10-21","18:00:00",""
"4317129","19.295","0.0009","19.295","0.0009","15.5604","0.0006","90","","90","","90","","5793.1","0.4","290","","290","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C80 H123 Eu0.404 O43 Y8.596 -","- C80 H123 Eu0.404 O43 Y8.596 -","- C160 H246 Eu0.808 O86 Y17.192 -","2","0.25","","François Baril-Robert; Sarah Petit; Guillaume Pilet; Guillaume Chastanet; Christian Reber; Dominique Luneau","Site-Selective Lanthanide Doping in a Nonanuclear Yttrium(III) Cluster Revealed by Crystal Structures and Luminescence Spectra","Inorganic Chemistry","2010","49","","10970","10976","10.1021/ic1011082","","","0.71073","MoKα","","0.1595","0.0508","","0.072","0.0462","0.0462","","","","","","1.1482","","","","has coordinates","179251","2020-10-21","18:00:00",""
"4317130","19.1041","0.0003","19.1041","0.0003","15.5149","0.0004","90","","90","","90","","5662.42","0.19","293","","293","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C80 H122 Eu0.98 O42.5 Y8.02 -","- C80 H122 Eu0.984 O42.5 Y8.016 -","- C160 H244 Eu1.968 O85 Y16.032 -","2","0.25","","François Baril-Robert; Sarah Petit; Guillaume Pilet; Guillaume Chastanet; Christian Reber; Dominique Luneau","Site-Selective Lanthanide Doping in a Nonanuclear Yttrium(III) Cluster Revealed by Crystal Structures and Luminescence Spectra","Inorganic Chemistry","2010","49","","10970","10976","10.1021/ic1011082","","","0.71073","MoKα","","0.1575","0.1233","","0.1319","0.1204","0.1204","","","","","","1.077","","","","has coordinates","179251","2020-10-21","18:00:00",""
"4317131","19.261","0.0006","19.261","0.0006","15.5773","0.0006","90","","90","","90","","5779","0.3","290","","290","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C80 H122 Eu2.916 O42.5 Y6.084 -","- C80 H122 Eu2.916 O42.5 Y6.084 -","- C160 H244 Eu5.832 O85 Y12.168 -","2","0.25","","François Baril-Robert; Sarah Petit; Guillaume Pilet; Guillaume Chastanet; Christian Reber; Dominique Luneau","Site-Selective Lanthanide Doping in a Nonanuclear Yttrium(III) Cluster Revealed by Crystal Structures and Luminescence Spectra","Inorganic Chemistry","2010","49","","10970","10976","10.1021/ic1011082","","","0.71073","MoKα","","0.1434","0.0668","","0.1213","0.075","0.075","","","","","","1.1275","","","","has coordinates","179251","2020-10-21","18:00:00",""
"4317132","19.2299","0.0006","19.2299","0.0006","15.4407","0.0006","90","","90","","90","","5709.8","0.3","290","","290","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C80 H122.5 Eu4.35 O43.5 Y4.65 -","- C80 H124 Eu4.356 O43.5 Y4.644 -","- C160 H248 Eu8.712 O87 Y9.288 -","2","0.25","","François Baril-Robert; Sarah Petit; Guillaume Pilet; Guillaume Chastanet; Christian Reber; Dominique Luneau","Site-Selective Lanthanide Doping in a Nonanuclear Yttrium(III) Cluster Revealed by Crystal Structures and Luminescence Spectra","Inorganic Chemistry","2010","49","","10970","10976","10.1021/ic1011082","","","0.71073","MoKα","","0.1152","0.0414","","0.1552","0.0584","0.0584","","","","","","1.2032","","","","has coordinates","179251","2020-10-21","18:00:00",""
"4319249","13.095","0.002","13.095","0.002","12.887","0.002","90","","90","","90","","2209.9","0.6","153","","153","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C45 H53 N O4 S4 -","- C45 H53 N O4 S4 -","- C90 H106 N2 O8 S8 -","2","0.25","","Alexander Bilyk; Annegret K. Hall; Jack M. Harrowfield; M. Wais Hosseini; Brian W. Skelton; Allan H. White","Systematic Structural Coordination Chemistry of p-tert-Butyltetrathiacalix[4]arene: 1. Group 1 Elements and Congeners","Inorganic Chemistry","2001","40","","672","686","10.1021/ic001008c","","","0.71073","MoKα","","0.063","0.047","","0.058","","0.054","","","1.209","","","1.283","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4319856","18.3","0.003","18.3","0.003","13.242","0.003","90","","90","","90","","4434.6","1.4","173","2","173","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C64 H144 Cl Cs Fe8 N8 O32 -","- C64 H96 Cl Cs Fe8 N8 O32.012 -","- C128 H192 Cl2 Cs2 Fe16 N16 O64.024 -","2","0.25","","O. Waldmann; R. Koch; S. Schromm; J. Schülein; P. Müller; I. Bernt; R. W. Saalfrank; F. Hampel; E. Balthes","Magnetic Anisotropy of a Cyclic Octanuclear Fe(III) Cluster and Magneto-Structural Correlations in Molecular Ferric Wheels","Inorganic Chemistry","2001","40","","2986","2995","10.1021/ic0012827","","","0.71073","MoKα","","0.0689","0.0449","","","0.1278","0.1431","","","","","","0.979","","","","has coordinates","179278","2020-10-21","18:00:00",""
"4321156","14.1399","0.0006","14.1399","0.0006","20.8219","0.0007","90","","90","","90","","4163.1","0.3","213","2","213","2","","","","","","","synthesis","7","P 4/n :2","-P 4a","85","","Tetrakas(2,6-diphenyliminopiperidinato)acetonitriletrichrmium(II) bis(hexafluorophosphate)","","- C78 H81 Cr3 F12 N17 O P2 -","- C78 H40 Cr3 F12 N17 O P2 -","- C156 H80 Cr6 F24 N34 O2 P4 -","2","0.25","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Hong-Cai Zhou","Linear Trichromium Complexes with the Anion of 2,6-Di(phenylimino)piperidine","Inorganic Chemistry","2000","39","","3414","3417","10.1021/ic0001964","","","0.71073","MoKα","","0.0701","0.0651","","0.2084","0.1976","","","","1.08","1.097","1.097","","","","","has coordinates,has disorder","179314","2020-10-21","18:00:00",""
"4321157","14.1545","0.0007","14.1545","0.0007","19.873","0.0012","90","","90","","90","","3981.6","0.4","213","2","213","2","","","","","","","synthesized","6","P 4/n :2","-P 4a","85","","[Cr3(DPhIP)4(CH3CN)(F)](BF4)2,5(CH3CN)","","- C80 H82 B2 Cr3 F9 N18 -","- C78.86 H64 B3 Cr3 F9 N17.708 -","- C157.72 H128 B6 Cr6 F18 N35.416 -","2","0.25","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Hong-Cai Zhou","Linear Trichromium Complexes with the Anion of 2,6-Di(phenylimino)piperidine","Inorganic Chemistry","2000","39","","3414","3417","10.1021/ic0001964","","","0.71073","MoKα","","0.0727","0.0638","","0.1769","0.1628","","","","1.108","1.113","1.113","","","","","has coordinates,has disorder","179314","2020-10-21","18:00:00",""
"4322185","16.2535","0.0011","16.2535","0.0011","8.1426","0.0007","90","","90","","90","","2151.1","0.3","293","2","293","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C4 H4.5 Cu O6.25 -","- C4 H4 Cu0.833333 O6.25 -","- C48 H48 Cu10 O75 -","12","1.5","","Hazel-Ann Hosein; Hema Jaggernauth; Bert D. Alleyne; Lincoln A. Hall; Andrew J. P. White; David J. Williams","First-Row Transition-Metal Complexes of the 1-Methoxycyclobutenedionate(1-) Ion","Inorganic Chemistry","1999","38","","3716","3720","10.1021/ic990199k","","","0.71073","MoKα","","0.0612","0.0451","","0.1219","0.1126","","","","1.121","1.167","1.167","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323702","19.492","0.001","19.492","0.001","10.432","0.001","90","","90","","90","","3963.5","0.5","199","","199","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C38 H48 Cl2 In2 O4.5 -","- C38.5 H60 Cl2 In2 O4 -","- C154 H240 Cl8 In8 O16 -","4","0.5","","François P. Gabbaï; Annette Schier; Jürgen Riede; Alexander Sladek; Hans W. Görlitzer","Unusual Ring Systems Containing Indium. Synthesis and Structure of the First Mercuraindacycles","Inorganic Chemistry","1997","36","","5694","5698","10.1021/ic970241g","","","0.71069","MoKα","","0.0743","0.0572","","0.157","0.1312","","","","1.231","1.298","1.298","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324826","24.2059","0.0003","24.2059","0.0003","13.32","0.0002","90","","90","","90","","7804.53","0.18","293","2","293","2","","","","","","","synthesis as described","6","P 4/n :2","-P 4a","85","Compound X","","","- C40 H32 Cu4 N36 O10.5 W3 -","- C40 H32 Cu4 N36 O10.4 W3 -","- C160 H128 Cu16 N144 O41.6 W12 -","4","0.5","","Robert Podgajny; Robert Pełka; Cédric Desplanches; Laurent Ducasse; Wojciech Nitek; Tomasz Korzeniak; Olaf Stefanczyk; Michał Rams; Barbara Sieklucka; Michel Verdaguer","W-Knotted Chain {[CuII(dien)]4[WV(CN)8]}5+\ιnfty: Synthesis, Crystal Structure, Magnetism, and Theory","Inorganic Chemistry","2011","50","","3213","3222","10.1021/ic101335a","","x-ray","0.71073","MoKα","","0.0977","0.0719","","","0.1902","0.2152","","","","71.283","71.283","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4326860","19.068","0.0003","19.068","0.0003","16.2385","0.0003","90","","90","","90","","5904.13","0.17","160","2","160","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C72.6 H119.4 Cl1.2 Dy9 N24 O52.6 -","- C72.6 H96 Cl1.2 Dy9 N24 O52.6 -","- C145.2 H192 Cl2.4 Dy18 N48 O105.2 -","2","0.25","","Dimitris I. Alexandropoulos; Shreya Mukherjee; Constantina Papatriantafyllopoulou; Catherine P. Raptopoulou; Vassilis Psycharis; Vlasoula Bekiari; George Christou; Theocharis C. Stamatatos","A New Family of Nonanuclear Lanthanide Clusters Displaying Magnetic and Optical Properties","Inorganic Chemistry","2011","50","","11276","11278","10.1021/ic2013683","","","1.54178","CuKα","","0.0873","0.0749","","","0.1761","0.1893","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326898","25.3368","0.0011","25.3368","0.0011","8.0896","0.0004","90","","90","","90","","5193.1","0.4","173","2","173","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C32 H72 Mo8 N16 Na8 O56 P8 -","- C36 H72 Mo8 N28 Na6 O65 P8 -","- C72 H144 Mo16 N56 Na12 O130 P16 -","2","0.25","","Abhishek Banerjee; Farah S. Raad; Nina Vankova; Bassem S. Bassil; Thomas Heine; Ulrich Kortz","Polyoxomolybdodiphosphonates: Examples Incorporating Ethylidenepyridines","Inorganic Chemistry","2011","50","","11667","11675","10.1021/ic201652h","","","0.71073","MoKα","","0.0717","0.0499","","","0.1472","0.1771","","","","","","1.01","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4327396","19.8814","0.0002","19.8814","0.0002","15.8966","0.0002","90","","90","","90","","6283.45","0.12","200","2","200","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C92 H92 Cl16 N16 O16 Pd2 -","- C92 H92 Cl16 N16 O16 Pd2 -","- C184 H184 Cl32 N32 O32 Pd4 -","2","0.25","","Nancy L. S. Yue; Dana J. Eisler; Michael C. Jennings; Richard J. Puddephatt","Macrocyclic and Lantern Complexes of Palladium(II) with Bis(amidopyridine) Ligands: Synthesis, Structure, and Host-Guest Chemistry","Inorganic Chemistry","2004","43","","7671","7681","10.1021/ic048893+","","","0.71073","MoKα","","0.0977","0.0764","","","0.2414","0.2668","","","","","","1.058","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4328817","18.6497","0.0015","18.6497","0.0015","12.7881","0.001","90","","90","","90","","4447.8","0.6","100","2","100","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- H50 O73 Se10 Th9 -","- O73 Se10 Th9 -","- O146 Se20 Th18 -","2","0.25","","Karah E. Knope; Monica Vasiliu; David A. Dixon; L. Soderholm","Thorium(IV)-Selenate Clusters Containing an Octanuclear Th(IV) Hydroxide/Oxide Core","Inorganic Chemistry","2012","51","","4239","4249","10.1021/ic202706s","","","0.71073","MoKα","","0.0745","0.0529","","","0.1487","0.157","","","","","","1.086","","","","has coordinates,has disorder","179391","2020-10-21","18:00:00",""
"4328820","18.907","0.002","18.907","0.002","9.4886","0.0011","90","","90","","90","","3391.9","0.6","295","2","295","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- H50 O73 Se10 Th9 -","- O73 Se10 Th9 -","- O146 Se20 Th18 -","2","0.25","","Karah E. Knope; Monica Vasiliu; David A. Dixon; L. Soderholm","Thorium(IV)-Selenate Clusters Containing an Octanuclear Th(IV) Hydroxide/Oxide Core","Inorganic Chemistry","2012","51","","4239","4249","10.1021/ic202706s","","","0.71073","MoKα","","0.0981","0.0636","","","0.1697","0.1884","","","","","","1.084","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4329357","15.141","0.0019","15.141","0.0019","17.627","0.003","90","","90","","90","","4041","1","100","1","100","1","","","","","","","","6","P 4/n :2","-P 4a","85","","5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis(N-hexylaminocarbonylmethoxy) calix[4]arene-sodium perchlorate","","- C76 H116 Cl N4 Na O12 -","- C76 H116 Cl N4 Na O12 -","- C152 H232 Cl2 N8 Na2 O24 -","2","0.25","","Gordan Horvat; Vladimir Stilinović; Tomica Hrenar; Branko Kaitner; Leo Frkanec; Vladislav Tomišić","An Integrated Approach (Thermodynamic, Structural, and Computational) to the Study of Complexation of Alkali-Metal Cations by a Lower-Rim Calix[4]arene Amide Derivative in Acetonitrile","Inorganic Chemistry","2012","51","","6264","6278","10.1021/ic300474s","","","0.71073","MoKα","","0.2964","0.1551","","","0.3989","0.4346","","","","","","1.125","","","","has coordinates,has disorder","179396","2020-10-21","18:00:00",""
"4331681","12.944","0.0013","12.944","0.0013","6.1728","0.0014","90","","90","","90","","1034.2","0.3","293.1","","","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C6 H10 Ni S4 -","- C6 H10 Ni S4 -","- C24 H40 Ni4 S16 -","4","0.5","","Kobayashi, Atsushi; Kojima, Takahiko; Ikeda, Ryuichi; Kitagawa, Hiroshi","Synthesis of a One-Dimensional Metal-Dimer Assembled System with Interdimer Interaction, M2(dtp)4(M = Ni, Pd; dtp = Dithiopropionato)","Inorganic Chemistry","2006","45","1","322","327","10.1021/ic051387f","","","0.71069","MoKα","","","0.0342","","","","0.1334","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331682","13.0892","0.0008","13.0892","0.0008","6.1636","0.0011","90","","90","","90","","1056","0.2","293.1","","","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C6 H10 Pd S4 -","- C6 H10 Pd S4 -","- C24 H40 Pd4 S16 -","4","0.5","","Kobayashi, Atsushi; Kojima, Takahiko; Ikeda, Ryuichi; Kitagawa, Hiroshi","Synthesis of a One-Dimensional Metal-Dimer Assembled System with Interdimer Interaction, M2(dtp)4(M = Ni, Pd; dtp = Dithiopropionato)","Inorganic Chemistry","2006","45","1","322","327","10.1021/ic051387f","","","0.71069","MoKα","","","0.0214","","","","0.0565","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332297","27.56","0.005","27.56","0.005","10.5496","0.001","90","","90","","90","","8013","2","150","2","150","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C56.5 H84.75 Mn2 Mo4 N8.25 O9 S6 -","- C53 H72 Mn2 Mo4 N8 O6 S12 -","- C212 H288 Mn8 Mo16 N32 O24 S48 -","4","0.5","","Lin, Ping; Clegg, William; Harrington, Ross W.; Henderson, Richard A.; Fletcher, Ashleigh J.; Bell, Jon; Thomas, K. Mark","Assembly of Heterometallic Clusters and Coordination Polymers by Combining Mo−S-Based Clusters with Mn2+","Inorganic Chemistry","2006","45","10","4284","4302","10.1021/ic060205u","","","0.71073","MoKα","","0.0737","0.0448","","","0.1055","0.1147","","","","","","1.064","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332928","12.763","0.003","12.763","0.003","18.722","0.009","90","","90","","90","","3049.7","1.8","150","2","150","2","","","","","","","","6","P 4/n :2","-P 4a","85","","Ph~4~P[p-tert-butyl-calix[4]arene tetrahydroxylato oxovanadate(V)]","","- C69 H74 Cl2 O5 P V -","- C69 H74 Cl2 O5 P V -","- C138 H148 Cl4 O10 P2 V2 -","2","0.25","","Hoppe, Elke; Limberg, Christian; Ziemer, Burkhard","Mono- and Dinuclear Oxovanadium(V)calixarene Complexes and Their Activity as Oxidation Catalysts","Inorganic Chemistry","2006","45","20","8308","8317","10.1021/ic061106j","","","0.71073","MoKα","","0.055","0.0402","","","0.102","0.1135","","","","","","1.047","","","","has coordinates,has disorder","179432","2020-10-21","18:00:00",""
"4332972","13.831","0.0002","13.831","0.0002","9.848","0.0002","90","","90","","90","","1883.89","0.05","295","2","295","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C32 H16 B F24 Na O2 -","- C32 H12 B F24 Na O2 -","- C64 H24 B2 F48 Na2 O4 -","2","0.25","","Chang, Chi-Tsing; Chen, Chuan-Lin; Liu, Yi-Hong; Peng, Shie-Ming; Chou, Pi-Tai; Liu, Shiuh-Tzung","Coordination of Fluoro Ligands toward Sodium Ions Makes the Difference: Aqua Sodium Ions Act as Brønsted Acids in Polymerization of Vinyl Ethers and Styrenes","Inorganic Chemistry","2006","45","19","7590","7592","10.1021/ic061162k","","","0.71073","MoKα","","0.0834","0.0677","","0.2479","0.2162","","","","1.05","1.085","1.085","","","","","has coordinates,has disorder","179432","2020-10-21","18:00:00",""
"4333049","13.4487","0.0019","13.4487","0.0019","18.57","0.004","90","","90","","90","","3358.7","1","203","2","203","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C64 H77 Li5 O11 S4 -","- C64 H77 Li5 O11 S4 -","- C128 H154 Li10 O22 S8 -","2","0.25","","Zeller, Jürgen; Radius, Udo","Alkali-Metalated Forms of Thiacalix[4]arenes","Inorganic Chemistry","2006","45","23","9487","9492","10.1021/ic0613311","","","0.56085","AgKα","","0.094","0.0595","","","0.148","0.1688","","","","","","1.069","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4334113","14.2119","0.0004","14.2119","0.0004","18.9069","0.0008","90","","90","","90","","3818.8","0.2","293","2","293","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C66 H68 Cl2 F12 N14 O4 P2 Ru3 -","- C66 H68 Cl2 F12 N14 O4 P2 Ru3 -","- C132 H136 Cl4 F24 N28 O8 P4 Ru6 -","2","0.25","","German E. Pieslinger; Pablo Albores; Leonardo D. Slep; Benjamin J. Coe; Cliff J. Timpson; Luis M. Baraldo","Communication between Remote Moieties in Linear Ru-Ru-Ru Trimetallic Cyanide-Bridged Complexes","Inorganic Chemistry","2013","52","","2906","2917","10.1021/ic302173g","","","0.71073","MoKα","","0.1614","0.0906","","","0.2816","0.3071","","","","","","1.004","","","","has coordinates,has disorder","179444","2020-10-21","18:00:00",""
"4334605","8.856","0.002","8.856","0.002","7.896","0.001","90","","90","","90","","619.3","0.2","150","","150","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C4 H11 N0.5 O12.5 Pu0.5 U0.5 -","- C4 N0.5 O12.5 Pu0.5 U0.5 -","- C8 N O25 Pu U -","2","0.25","","Christelle Tamain; Bénédicte Arab Chapelet; Murielle Rivenet; Francis Abraham; Richard Caraballo; Stéphane Grandjean","Crystal Growth and First Crystallographic Characterization of Mixed Uranium(IV)-Plutonium(III) Oxalates","Inorganic Chemistry","2013","52","","4941","4949","10.1021/ic302587t","","","0.71073","MoKα","","0.0192","0.0185","","","0.0263","0.0264","","","","2.04","2.04","2.02","","","","has coordinates,has Fobs","179449","2020-10-21","18:00:00",""
"4335189","19.9942","0.0002","19.9942","0.0002","7.4709","0.0001","90","","90","","90","","2986.63","0.06","123","","123","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C10 H11 Cl Mo N4 O2 -","- C10 H11 Cl Mo N4 O2 -","- C80 H88 Cl8 Mo8 N32 O16 -","8","1","","Lars-Arne Schaper; Xuhui Wei; Philipp J. Altmann; Karl Öfele; Alexander Pöthig; Markus Drees; János Mink; Eberhardt Herdtweck; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn","Synthesis and Comparison of Transition Metal Complexes of Abnormal and Normal Tetrazolylidenes: A Neglected Ligand Species","Inorganic Chemistry","2013","52","","7031","7044","10.1021/ic4005449","","x-ray","0.71073","MoKα","","0.0316","0.0239","","","0.0479","0.0503","","","","","","1.071","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4336648","11.1002","0.0013","11.1002","0.0013","8.531","0.002","90","","90","","90","","1051.1","0.3","296","","296","","","","","","","","","3","P 4/n :2","-P 4a","85","Compound-3","","","- Ag7 Cs S4 -","- Ag7 Cs S4 -","- Ag28 Cs4 S16 -","4","0.5","","Chi Zhang; Kai-Ni Wang; Min Ji; Yong-Lin An","Mild Solvothermal Syntheses of Thioargentates A-Ag-S (A = K, Rb, Cs) and A-Ag-Ge-S (A = Na, Rb): Crucial Role of Excess Sulfur","Inorganic Chemistry","2013","52","","12367","12371","10.1021/ic402092r","","","0.71073","MoKα","","0.0343","0.0308","","","0.0685","0.0696","","","","","","1.075","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4340337","30.6601","0.0007","30.6601","0.0007","15.3913","0.0004","90","","90","","90","","14468.5","0.6","100","2","100","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C36.5 H84.75 F12 Fe4 Mo4 N11.25 O16 P2 -","- C36.5 H84.75 F12 Fe4 Mo4 N12.25 O16 P2 -","- C292 H678 F96 Fe32 Mo32 N98 O128 P16 -","8","1","","Falkenhagen, Jan P.; Braun, Beatrice; Bill, Eckhard; Sattler, Dominik; Limberg, Christian","A Cubic Fe4Mo4 Oxo Framework and Its Reversible Four-Electron Redox Chemistry.","Inorganic chemistry","2014","53","14","7294","7308","10.1021/ic500584a","","","1.54178","CuKα","","0.0847","0.0773","","","0.1816","0.1867","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341830","29.632","0.003","29.632","0.003","34.132","0.004","90","","90","","90","","29970","6","100","2","100","2","","","","","","","","4","P 4/n :2","-P 4a","85","U48W6P48","","","- O430 P48 U48 W6 -","- O430 P48 U48 W6 -","- O860 P96 U96 W12 -","2","0.25","","Ling, Jie; Hobbs, Franklin; Prendergast, Steven; Adelani, Pius O.; Babo, Jean-Marie; Qiu, Jie; Weng, Zhehui; Burns, Peter C.","Hybrid Uranium-Transition-Metal Oxide Cage Clusters.","Inorganic chemistry","2014","","","141201075026001","","10.1021/ic5018449","","","0.71073","MoKα","","0.1189","0.094","","","0.2223","0.2424","","","","","","1.093","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4344107","7.945","","7.945","","4.13","","90","","90","","90","","260.698","","","","","","","","","","","","","4","P 4/n :2","-P 4a","85","","In F3 (H2 O)3","","- F3 H6 In O3 -","- F3 In O3 -","- F6 In2 O6 -","2","0.25","","Budonec, P.; Kaucic, V.","Reinvestigation of the crystal structure of indium trifluoride trihydrate","Inorganic and Nuclear Chemistry Letters","1978","14","","79","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344353","11.63","","11.63","","7.146","","90","","90","","90","","966.546","","","","","","","","","","","","","2","P 4/n :2","-P 4a","85","","Sr Br2","","- Br2 Sr -","- Br2 Sr -","- Br20 Sr10 -","10","1.25","","Smeggil, J.G.; Eick, H.A.","The crystal structure of strontium dibromide","Inorganic Chemistry","1971","10","","1458","1460","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4347505","17.588","0.005","17.588","0.005","11.615","0.004","90","","90","","90","","3593","1.9","123","2","123","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C60 H98 Mn4 N5 O29 Y -","- C60 H98 Mn4 N5 O29 Y -","- C120 H196 Mn8 N10 O58 Y2 -","2","0.25","","Cao, Fan; Wei, Rong-Min; Li, Jing; Yang, Li; Han, Yuan; Song, You; Dou, Jian-Min","Ferromagnetic Polarization: The Quantum Picture of Switching On/Off Single-Molecule Magnetism.","Inorganic chemistry","2016","55","12","5914","5923","10.1021/acs.inorgchem.6b00255","","","0.71073","MoKα","","0.1121","0.0837","","","0.2187","0.2341","","","","","","1.09","","","","has coordinates","232349","2020-10-21","18:00:00",""
"4348790","15.437","0.002","15.437","0.002","7.5112","0.0015","90","","90","","90","","1789.9","0.5","293","2","293","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C32 H22 Cl Cu N4 O5 S8 -","- C32 H20 Cl Cu N4 O5 S8 -","- C64 H40 Cl2 Cu2 N8 O10 S16 -","2","0.25","","Yin, Zhong-Nan; Li, Yan-Hong; Sun, Yong-Gang; Chen, Ting; Xu, Jing; Zhu, Qin-Yu; Dai, Jie","3D Copper Tetrathiafulvalene Redox-Active Network with 8-Fold Interpenetrating Diamond-like Topology.","Inorganic chemistry","2016","55","18","9154","9157","10.1021/acs.inorgchem.6b01632","","","0.71073","MoKα","","0.106","0.0844","","","0.1309","0.1406","","","","","","1.034","","","","has coordinates","233346","2020-10-21","18:00:00",""
"4350811","21.7064","0.0007","21.7064","0.0007","7.3386","0.0005","90","","90","","90","","3457.7","0.3","100","2","100","2","","","","","","","","7","P 4/n :2","-P 4a","85","","Dibromo-tricarbonyl-(1,4,6-trimethylpyrimidine-2-thione-κN^3^,κS)- tungsten(II) acetone solvate","","- C13 H16 Br2 N2 O4 S W -","- C10 H10 Br2 N2 O3 S W -","- C80 H80 Br16 N16 O24 S8 W8 -","8","1","","Falcomer, Viviane A.S.; Lemos, Sebastião S.; Politi, José R.S.; Casagrande, Gleison A.; Lang, Ernesto S.; Burrow, Robert A.","Synthesis, structure and properties of the mixed-ligand tungsten(II) complex [WBr2(CO)3(tmpymt)] (tmpymt = 1,4,6-trimethylpyrimidine-2-thione)","Inorganic Chemistry Communications","2009","12","6","580","582","10.1016/j.inoche.2009.04.025","","","0.71073","MoKα","","0.0368","0.0249","","","0.0503","0.0529","","","","","","1.07","","","","has coordinates","272316","2022-01-28","08:18:35",""
"4500598","22.466","0.0001","22.466","0.0001","13.387","0.0001","90","","90","","90","","6756.7","0.07","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C124 H108 Cl4 N28 Ni4 O16 -","- C124 H108 Cl4 N28 Ni4 O16 -","- C248 H216 Cl8 N56 Ni8 O32 -","2","0.25","","Wu, Hua; Liu, Hai-Yan; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Liu, Ying-Ying; Liu, Yun-Yu","Series of Coordination Polymers Based on Different Carboxylates and a Tri(4-imidazolylphenyl)amine Ligand: Entangled Structures and Photoluminescence","Crystal Growth & Design","2011","11","6","2317","","10.1021/cg200005q","","","1.54184","CuKα","","0.074","0.0591","","","0.1822","0.1963","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501014","14.6467","0.001","14.6467","0.001","13.7488","0.0012","90","","90","","90","","2949.5","0.4","173","2","173","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C58 H60 Co2 N2 O12 S4 -","- C58 H60 Co2 N2 O12 S4 -","- C116 H120 Co4 N4 O24 S8 -","2","0.25","","Kim, Kihwan; Park, Sunhong; Park, Ki-Min; Lee, Shim Sung","Thiacalix[4]arene-Based Three-Dimensional Coordination Polymers Incorporating Neutral Bridging Coligands","Crystal Growth & Design","2011","11","9","4059","","10.1021/cg2006315","","","0.71073","MoKα","","0.0952","0.0773","","","0.2159","0.2269","","","","","","1.071","","","","has coordinates,has disorder","179541","2020-10-21","18:00:00",""
"4504583","16.2344","0.0002","16.2344","0.0002","12.2612","0.0002","90","","90","","90","","3231.51","0.08","356","2","356","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C104 H10 F20 N4 -","- C104 H10 F20 N4 -","- C208 H20 F40 N8 -","2","0.25","","Hosseini, Ali; Hodgson, Michael C.; Tham, Fook S.; Reed, Christopher A.; Boyd, Peter D. W.","Tapes, Sheets, and Prisms. Identification of the Weak C−F Interactions that Steer Fullerene−Porphyrin Cocrystallization","Crystal Growth & Design","2006","6","2","397","","10.1021/cg050352n","","","0.71073","MoKα","","0.0682","0.0527","","","0.1431","0.1553","","","","","","1.085","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4506218","20.2967","0.001","20.2967","0.001","5.4228","0.0006","90","","90","","90","","2234","0.3","298","2","298","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C38 H44 Cl2 Cu N8 O10 S -","- C36 H28 Cl2 Cu N8 O8 -","- C72 H56 Cl4 Cu2 N16 O16 -","2","0.25","","Adarsh, N. N.; Grélard, Axelle; Dufourc, Erick J.; Dastidar, Parthasarathi","Sequestering Hydrated Fluoride in a Three-Dimensional Non-Interpenetrated Octahedral Coordination Polymer via a Single-Crystal-to-Single-Crystal Fashion","Crystal Growth & Design","2012","12","7","3369","","10.1021/cg300279z","","","0.71073","MoKα","","0.1107","0.0985","","","0.238","0.2455","","","","","","1.279","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506219","20.438","0.003","20.438","0.003","5.4632","0.0014","90","","90","","90","","2282","0.8","298","2","298","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C38 H44 Cl Cu F N8 O10 S -","- C36 H28 Cl Cu F N8 O8 -","- C72 H56 Cl2 Cu2 F2 N16 O16 -","2","0.25","","Adarsh, N. N.; Grélard, Axelle; Dufourc, Erick J.; Dastidar, Parthasarathi","Sequestering Hydrated Fluoride in a Three-Dimensional Non-Interpenetrated Octahedral Coordination Polymer via a Single-Crystal-to-Single-Crystal Fashion","Crystal Growth & Design","2012","12","7","3369","","10.1021/cg300279z","","","0.71073","MoKα","","0.1033","0.0913","","","0.268","0.2781","","","","","","1.124","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506220","20.658","0.003","20.658","0.003","5.6117","0.0009","90","","90","","90","","2394.8","0.6","298","2","298","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C36 H38 Br2 Cu N8 O9 -","- C36 H28 Br2 Cu N8 O8 -","- C72 H56 Br4 Cu2 N16 O16 -","2","0.25","","Adarsh, N. N.; Grélard, Axelle; Dufourc, Erick J.; Dastidar, Parthasarathi","Sequestering Hydrated Fluoride in a Three-Dimensional Non-Interpenetrated Octahedral Coordination Polymer via a Single-Crystal-to-Single-Crystal Fashion","Crystal Growth & Design","2012","12","7","3369","","10.1021/cg300279z","","","0.71073","MoKα","","0.1369","0.1254","","","0.3298","0.3404","","","","","","1.156","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4508408","14.16","0.005","14.16","0.005","10.639","0.005","90","","90","","90","","2133.2","1.5","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","anti-1d","","","- C26 H26 O2 -","- C26 H26 O2 -","- C104 H104 O8 -","4","0.5","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71069","MoKα","","0.0815","0.0507","","","0.0856","0.092","","","","","","1.006","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4513144","18.9015","0.0002","18.9015","0.0002","31.6878","0.0006","90","","90","","90","","11321","0.3","293","2","293","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C216 H216 B8 Br Cu6 N48 O10 -","- C216 H168 B8 Br Cu6 N48 -","- C432 H336 B16 Br2 Cu12 N96 -","2","0.25","","Zhang, De-Xiang; Zhang, Hai-Xia; Li, Hong-Yan; Wen, Tian; Zhang, Jian","Self-Assembly of Metal Boron Imidazolate Cages","Crystal Growth & Design","2015","15","5","2433","","10.1021/acs.cgd.5b00210","","","1.54178","CuKα","","0.1901","0.1245","","","0.3381","0.3768","","","","","","0.987","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4517266","19.2977","0.0004","19.2977","0.0004","10.0366","0.0008","90","","90","","90","","3737.6","0.3","173","2","173","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C24 H46 N6 Nd2 O23 -","- C24 H46 N6 Nd2 O23 -","- C96 H184 N24 Nd8 O92 -","4","0.5","","Chen, Mao-Long; Feng, Yan-Ying; Wang, Si-Yuan; Cheng, Yuihui; Zhou, Zhao-Hui","Metal-organic frameworks with double channels for rapid and reversible adsorption of 1,2-ethylenediamine and gases.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b20184","","","0.71073","MoKα","","0.0689","0.0489","","","0.1061","0.1169","","","","","","1.039","","","","has coordinates","246254","2020-10-21","18:00:00",""
"4517267","19.3748","0.0003","19.3748","0.0003","9.9515","0.0005","90","","90","","90","","3735.6","0.2","173","2","173","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C24 H38 N6 O23 Pr2 -","- C24 H38 N6 O23 Pr2 -","- C96 H152 N24 O92 Pr8 -","4","0.5","","Chen, Mao-Long; Feng, Yan-Ying; Wang, Si-Yuan; Cheng, Yuihui; Zhou, Zhao-Hui","Metal-organic frameworks with double channels for rapid and reversible adsorption of 1,2-ethylenediamine and gases.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b20184","","","0.71073","MoKα","","0.088","0.0625","","","0.1205","0.1294","","","","","","1.23","","","","has coordinates,has disorder","246255","2020-10-21","18:00:00",""
"4517268","19.4984","0.0003","19.4984","0.0003","9.9326","0.0005","90","","90","","90","","3776.3","0.2","173","2","173","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C24 H40 La2 N6 O23 -","- C24 H40 La2 N7.176 O23 -","- C96 H160 La8 N28.704 O92 -","4","0.5","","Chen, Mao-Long; Feng, Yan-Ying; Wang, Si-Yuan; Cheng, Yuihui; Zhou, Zhao-Hui","Metal-organic frameworks with double channels for rapid and reversible adsorption of 1,2-ethylenediamine and gases.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b20184","","","0.71073","MoKα","","0.062","0.0445","","","0.0886","0.0969","","","","","","0.956","","","","has coordinates,has disorder","246256","2020-10-21","18:00:00",""
"4517269","19.4161","0.0002","19.4161","0.0002","9.9444","0.0004","90","","90","","90","","3748.89","0.16","173","2","173","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C24 H46 Ce2 N6 O23 -","- C24 H46 Ce2 N6 O23 -","- C96 H184 Ce8 N24 O92 -","4","0.5","","Chen, Mao-Long; Feng, Yan-Ying; Wang, Si-Yuan; Cheng, Yuihui; Zhou, Zhao-Hui","Metal-organic frameworks with double channels for rapid and reversible adsorption of 1,2-ethylenediamine and gases.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b20184","","","0.71073","MoKα","","0.0776","0.0564","","","0.102","0.1102","","","","","","1.175","","","","has coordinates,has disorder","246257","2020-10-21","18:00:00",""
"4517270","19.5153","0.0007","19.5153","0.0007","9.8489","0.001","90","","90","","90","","3750.9","0.4","173","2","173","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C22 H40 La2 N6 O22.5 -","- C22 H40 La2 N6 O22.5 -","- C88 H160 La8 N24 O90 -","4","0.5","","Chen, Mao-Long; Feng, Yan-Ying; Wang, Si-Yuan; Cheng, Yuihui; Zhou, Zhao-Hui","Metal-organic frameworks with double channels for rapid and reversible adsorption of 1,2-ethylenediamine and gases.","ACS applied materials & interfaces","2019","","","","","10.1021/acsami.9b20184","","","0.71073","MoKα","","0.1316","0.052","","","0.0861","0.0993","","","","","","0.97","","","","has coordinates","246258","2020-10-21","18:00:00",""
"7001286","17.6228","0.0009","17.6228","0.0009","11.8846","0.0015","90","","90","","90","","3690.9","0.5","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 4/n :2","-P 4a","85","","","","- C76 H64 N12 Rh2 -","- C76 H64 N12 Rh2 -","- C152 H128 N24 Rh4 -","2","0.25","","Cooke, Michael W.; Santoni, Marie-Pierre; Hanan, Garry S.; Proust, Anna; Hasenknopf, Bernold","A divergent strategy for covalently-tethered (tpy)2Ru(ii) systems based on Rh2(N,N′-diphenylbenzamidinates)4","Dalton Transactions","2009","","19","3671","3673","10.1039/b904011k","","","1.54178","CuKα","","0.0459","0.0363","","","0.0884","0.0905","","","","","","1.028","","","","has coordinates","179709","2020-10-21","18:00:00",""
"7001892","19.1714","0.0007","19.1714","0.0007","15.5661","0.0006","90","","90","","90","","5721.2","0.4","293","","293","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C80 H123 Eu9 O43 -","- C80 H123 Eu9 O43 -","- C160 H246 Eu18 O86 -","2","0.25","","Petit, Sarah; Baril-Robert, François; Pilet, Guillaume; Reber, Christian; Luneau, Dominique","Luminescence spectroscopy of europium(III) and terbium(III) penta-, octa- and nonanuclear clusters with β-diketonate ligands","Dalton Transactions","2009","","34","6809","6815","10.1039/b822883c","","","0.71073","MoKα","","0.1628","0.0522","","0.1794","0.0566","0.0566","","","","","","1.1312","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7001893","19.151","0.002","19.151","0.002","15.5247","0.0018","90","","90","","90","","5693.9","1.1","290","","290","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C80 H123 O43 Y9 -","- C80 H123 O43 Y9 -","- C160 H246 O86 Y18 -","2","0.25","","Petit, Sarah; Baril-Robert, François; Pilet, Guillaume; Reber, Christian; Luneau, Dominique","Luminescence spectroscopy of europium(III) and terbium(III) penta-, octa- and nonanuclear clusters with β-diketonate ligands","Dalton Transactions","2009","","34","6809","6815","10.1039/b822883c","","","0.71073","MoKα","","0.1048","0.035","","0.0673","0.0364","0.0364","","","","","","1.1002","","","","has coordinates","209453","2020-10-21","18:00:00",""
"7001895","19.099","0.0007","19.099","0.0007","15.521","0.0006","90","","90","","90","","5661.6","0.4","290","","290","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C80 H123 O43 Tb9 -","- C80 H123 O43 Tb9 -","- C160 H246 O86 Tb18 -","2","0.25","","Petit, Sarah; Baril-Robert, François; Pilet, Guillaume; Reber, Christian; Luneau, Dominique","Luminescence spectroscopy of europium(III) and terbium(III) penta-, octa- and nonanuclear clusters with β-diketonate ligands","Dalton Transactions","2009","","34","6809","6815","10.1039/b822883c","","","0.71073","MoKα","","0.0998","0.0444","","0.1087","0.0523","0.0523","","","","","","1.0698","","","","has coordinates","179716","2020-10-21","18:00:00",""
"7002211","24.553","0.003","24.553","0.003","7.7689","0.0012","90","","90","","90","","4683.5","1.1","160","2","160","2","","","","","","","","5","P 4/n :2","-P 4a","85","(1)","","","- C20 H25 Au Cl4 N2 -","- C20 H25 Au Cl4 N2 -","- C160 H200 Au8 Cl32 N16 -","8","1","","Hudson, Zachary D.; Sanghvi, Chinar D.; Rhine, Melody A.; Ng, Julia J.; Bunge, Scott D.; Hardcastle, Kenneth I.; Saadein, Mohammad R.; MacBeth, Cora E.; Eichler, Jack F.","Synthesis and characterization of gold(iii) complexes possessing 2,9-dialkylphenanthroline ligands: to bind or not to bind?","Dalton Transactions","2009","","36","7473","7480","10.1039/b823215f","","","0.71073","MoKα","","0.0771","0.0443","","","0.1337","0.1636","","","","","","1.091","","","","has coordinates","179720","2020-10-21","18:00:00",""
"7002571","34.2888","0.0012","34.2888","0.0012","10.4408","0.0004","90","","90","","90","","12275.5","0.8","110","2","110","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C29 H41 Al O2 S2 -","- C29 H41 Al O2 S2 -","- C464 H656 Al16 O32 S32 -","16","2","","Lian, Bing; Ma, Haiyan; Spaniol, Thomas P.; Okuda, Jun","Neutral and cationic aluminium complexes containing a chiral (OSSO)-type bis(phenolato) ligand: synthesis, structures and polymerization activity","Dalton Transactions","2009","","41","9033","9042","10.1039/b909287k","","","0.71073","MoKα","","0.121","0.0811","","","0.1767","0.1938","","","","","","1.094","","","","has coordinates","179729","2020-10-21","18:00:00",""
"7003085","39.134","0.006","39.134","0.006","14.553","0.003","90","","90","","90","","22287","7","103","2","103","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C368 H344 Mn16 N32 O72 S16 -","- C367.984 H252 Mn16 N32 O72 S16 -","- C735.968 H504 Mn32 N64 O144 S32 -","2","0.25","","Lee, Kyungjin; John, Rohith P.; Park, Mira; Moon, Dohyun; Ri, Hyeong-Cheol; Kim, Ghyung Hwa; Lah, Myoung Soo","Steric control of the nuclearity of metallamacrocycles: formation of a hexanuclear gallium metalladiazamacrocycle and a hexadecanuclear manganese metalladiazamacrocycle","Dalton Transactions","2008","","1","131","","10.1039/b711686a","","","0.7","synchrotron","","0.1877","0.0742","","","0.2042","0.2451","","","","","","0.8","","","","has coordinates,has disorder","179734","2020-10-21","18:00:00",""
"7003432","29.892","0.006","29.892","0.006","16.945","0.002","90","","90","","90","","15141","5","173","2","173","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C62 H70 Cl N9 Na3 Ni4 O12 -","- C62 H70 Cl N9 Na3 Ni4 O12 -","- C496 H560 Cl8 N72 Na24 Ni32 O96 -","8","1","","Kermagoret, Anthony; Braunstein, Pierre","Synthesis of nickel complexes with bidentate N,O-type ligands and application in the catalytic oligomerization of ethylene","Dalton Transactions","2008","","12","1564","1573","10.1039/b716111e","","","0.71073","MoKα","","0.1922","0.0959","","","0.2201","0.2424","","","","","","1.222","","","","has coordinates","179738","2020-10-21","18:00:00",""
"7005961","21.2869","0.001","21.2869","0.001","23.846","0.002","90","","90","","90","","10805.4","1.2","213","2","213","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C96 H136 B F24 Mo2 N12 O2 S2 -","- C96 H92 B F24 Mo2 N12 O2 S2 -","- C384 H368 B4 F96 Mo8 N48 O8 S8 -","4","0.5","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Increasing the solubility of strong reducing agents containing Mo(2)(4+) units and alkyl-substituted guanidinate ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","35","3943","3951","10.1039/b707201e","","","0.71073","MoKα","","0.1529","0.0732","","","0.1783","0.2447","","","","","","1.052","","","","has coordinates,has disorder","179763","2020-10-21","18:00:00",""
"7007217","32.69","0.007","32.69","0.007","9.819","0.002","90","","90","","90","","10493","4","173","2","173","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C188 H280 N16 Na8 Si16 -","- C188 H232 N16 Na8 Si16 -","- C376 H464 N32 Na16 Si32 -","2","0.25","","Hitchcock, Peter B.; Lappert, Michael F.; Sablong, Rafaël","Reactions of M[CH(SiMe3)2] (M = Na or K) with PhCN, and related chemistry.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4146","4154","10.1039/b601881e","","","0.71073","MoKα","","0.1984","0.0919","","","0.2091","0.2617","","","","","","1.042","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7008491","17.2444","0.0008","17.2444","0.0008","6.0965","0.0004","90","","90","","90","","1812.91","0.17","133","2","133","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C24 H52 Ag5 Cl5 N4 -","- C24 H52 Ag5 Cl5 N4 -","- C48 H104 Ag10 Cl10 N8 -","2","0.25","","Jones, Peter G.; Wölper, Christoph","New stoichiometries from an old system: amine complexes of silver chloride.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1762","1763","10.1039/b503634h","","","0.71073","MoKα","","0.0215","0.018","","","0.0427","0.0443","","","","","","1.047","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7009198","18.7732","0.0008","18.7732","0.0008","9.4537","0.0005","90","","90","","90","","3331.8","0.3","298","2","298","2","","","","","","","-","6","P 4/n :2","-P 4a","85","Mg-STA-7","","","- C3.38 H8.62 Al3 N1.12 O12.38 P3 -","- C3.6 Al3 N O12.375 P3 -","- C28.8 Al24 N8 O99 P24 -","8","1","","Wright, Paul A.; Maple, Martin J.; Slawin, Alexandra M. Z.; Patinec, Véronique; Aitken, R. Alan; Welsh, Simon; Cox, Paul A.","Cation-directed syntheses of novel zeolite-like metalloaluminophosphates STA-6 and STA-7 in the presence of azamacrocycle templates","Journal of the Chemical Society, Dalton Transactions","2000","","8","1243","","10.1039/a909249h","","","0.71073","MoK?","","0.0966","0.0539","","0.2303","0.1422","","","","0.806","0.828","0.828","","","","","has coordinates","179795","2020-10-21","18:00:00",""
"7009199","18.74","0.005","18.74","","9.439","0.007","90","","90","","90","","3315","3","293","2","293","2","","","","","","","-","7","P 4/n :2","-P 4a","85","","","","- C1.75 H5.5 Al2.1 Co0.9 N0.5 O12.75 P3 -","- C1.82 Al2.1 Co0.9 N0.52 O12.75 P3 -","- C14.56 Al16.8 Co7.2 N4.16 O102 P24 -","8","1","","Wright, Paul A.; Maple, Martin J.; Slawin, Alexandra M. Z.; Patinec, Véronique; Aitken, R. Alan; Welsh, Simon; Cox, Paul A.","Cation-directed syntheses of novel zeolite-like metalloaluminophosphates STA-6 and STA-7 in the presence of azamacrocycle templates","Journal of the Chemical Society, Dalton Transactions","2000","","8","1243","","10.1039/a909249h","","","1.54178","CuKα","","0.2029","0.1169","","0.4409","0.3134","","","","1.057","1.203","1.203","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009200","18.691","0.002","18.691","0.002","9.423","0.001","90","","90","","90","","3292","0.6","150","2","150","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C1.75 H5 Al2.4 N0.5 O12.5 P3 Zn0.6 -","- C1.82 Al2.4 N0.52 O12.5 P3 Zn0.6 -","- C14.56 Al19.2 N4.16 O100 P24 Zn4.8 -","8","1","","Wright, Paul A.; Maple, Martin J.; Slawin, Alexandra M. Z.; Patinec, Véronique; Aitken, R. Alan; Welsh, Simon; Cox, Paul A.","Cation-directed syntheses of novel zeolite-like metalloaluminophosphates STA-6 and STA-7 in the presence of azamacrocycle templates","Journal of the Chemical Society, Dalton Transactions","2000","","8","1243","","10.1039/a909249h","","","0.6884","synchrotron","","0.1189","0.0912","","0.2595","0.2203","","","","1.234","1.311","1.311","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010355","11.2982","0.0009","11.2982","0.0009","8.253","0.001","90","","90","","90","","1053.49","0.17","298","2","298","2","","","","","","","","5","P 4/n :2","-P 4a","85","[12]aneS4 tetra(copper(I) iodide)","1,4,7,10-tetrathiacyclododecane tetra(copper(I) iodide)","","- C2 H4 Cu I S -","- C2 H4 Cu I S -","- C16 H32 Cu8 I8 S8 -","8","1","","Brooks, Neil R.; Blake, Alexander J.; Champness, Neil R.; Cooke, Paul A.; Hubberstey, Peter; Proserpio, Davide M.; Wilson, Claire; Schröder, Martin","Discrete molecular and extended polymeric copper(I) halide complexes of tetradentate thioether macrocycles","Journal of the Chemical Society, Dalton Transactions","2001","","4","456","","10.1039/b008202n","","","0.71073","MoKα","","0.0257","0.0176","","","0.0386","0.0405","","","","","","0.967","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7011792","18.95","0.002","18.95","0.002","8.5688","0.0015","90","","90","","90","","3077.1","0.7","295","2","295","2","","","","","","","","6","P 4/n :2","-P 4a","85","","hexakis-(dimethylsulfoxide)-nickel(II) tetrachloronickelate(II)","","- C12 H36 Cl4 Ni2 O6 S6 -","- C12 H36 Cl4 Ni2 O6 S6 -","- C48 H144 Cl16 Ni8 O24 S24 -","4","0.5","","Bobicz, Dorota; Kristiansson, Olof; Persson, Ingmar","Reactivity of five- and six-coordinated solvates. A complex formation and crystallographic study of the nickel(II) bromide and iodide systems in dimethyl sulfoxide and N,N'-dimethylpropyleneurea","Journal of the Chemical Society, Dalton Transactions","2002","","22","4201","4205","10.1039/b204128f","","","0.71073","MoKα","","0.1357","0.0546","","","0.1348","0.1531","","","","","","0.967","","","","has coordinates","275119","2022-05-06","16:41:58",""
"7011948","13.4475","0.0004","13.4475","0.0004","15.0257","0.0004","90","","90","","90","","2717.18","0.14","150","2","150","2","","","","","","","","5","P 4/n :2","-P 4a","85","Tb(H2O)8(p-sulfonatocalix[4]arene + H+).16H2O","","","- C28 H68 O40 S4 Tb -","- C28 H20 O40 S4 Tb -","- C56 H40 O80 S8 Tb2 -","2","0.25","","Atwood, Jerry L.; Barbour, Leonard J.; Dalgarno, Scott; Raston, Colin L.; Webb, Helen R.","Supramolecular assemblies of p-sulfonatocalix[4]arene with aquated trivalent lanthanide ions","Journal of the Chemical Society, Dalton Transactions","2002","","23","4351","","10.1039/b206129e","","","0.71073","MoKα","","0.0766","0.0753","","","0.1881","0.1887","","","","","","1.296","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7011949","11.8043","0.0006","11.8043","0.0006","14.2256","0.0007","90","","90","","90","","1982.22","0.17","123","1","123","1","","","","","","","","5","P 4/n :2","-P 4a","85","Ce(H2O)5(p-sulfonatocalix[4]arene + H+).8H2O","","","- C28 H47 Ce O29 S4 -","- C28 H16 Ce O29 S4 -","- C56 H32 Ce2 O58 S8 -","2","0.25","","Atwood, Jerry L.; Barbour, Leonard J.; Dalgarno, Scott; Raston, Colin L.; Webb, Helen R.","Supramolecular assemblies of p-sulfonatocalix[4]arene with aquated trivalent lanthanide ions","Journal of the Chemical Society, Dalton Transactions","2002","","23","4351","","10.1039/b206129e","","","0.71073","MoKα","","0.0846","0.0586","","","0.123","0.1326","","","","","","1.093","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7012319","20.353","0.003","20.353","0.003","10.739","0.002","90","","90","","90","","4448.6","1.2","120","2","120","2","","","","","","","","5","P 4/n :2","-P 4a","85","","cyclo-tetrakis((mu-oxo)-dichloro-(1,4,7,10,13-pentaoxacyclopentadecane)- titanium(IV)) toluene solvate hydrate","","- C68 H116 Cl8 O26 Ti4 -","- C68 H80 Cl8 O26 Ti4 -","- C136 H160 Cl16 O52 Ti8 -","2","0.25","","Levason, William; Popham, Michael C.; Reid, Gillian; Webster, Michael","Crown ether complexes of titanium(iv) chloride and bromide and the structures of the hydrolysis products [Ti2Cl6(µ-O)(18-crown-6)2] and [Ti4Cl8(µ-O)4(15-crown-5)4]","Dalton Transactions","2003","","3","291","","10.1039/b210012f","","","0.71073","MoKα","","0.1935","0.0733","","","0.1671","0.218","","","","","","0.91","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013987","12.2179","0.0011","12.2179","0.0011","11.7783","0.0014","90","","90","","90","","1758.2","0.3","223","2","223","2","","","","","","","","6","P 4/n :2","-P 4a","85","Copper(ii) Perchlorate 1:2 Complex with 2,2,7,7-tetramethyl- 1,2,3,6,7,8-hexahydro-cinnolino(5,4,3-cde)cinnoline","Copper(II) Perchlorate 1:2 Complex with 2,2,7,7-tetramethyl-1,2,3,6,7,8-hexahydro-cinnolino[5,4,3-cde]cinnoline","","- C32 H40 Cl2 Cu N8 O8 -","- C32 H40 Cl2 Cu N8 O8 -","- C64 H80 Cl4 Cu2 N16 O16 -","2","0.25","","Solntsev, Pavlo V.; Sieler, Joachim; Chernega, Alexander N.; Howard, Judith A. K.; Gelbrich, Thomas; Domasevitch, Konstantin V.","Self-assembly sodalite-like framework.","Dalton transactions (Cambridge, England : 2003)","2004","","5","695","696","10.1039/b316981b","","","0.71073","MoKα","","0.0608","0.0494","","0.1234","0.1181","","","","1.078","1.121","1.121","","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7014794","13.8148","0.0012","13.8148","0.0012","10.0926","0.0009","90","","90","","90","","1926.2","0.3","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C36 H39 Cl Mo N9 O7 -","- C36 H25 Cl Mo N9 O7 -","- C72 H50 Cl2 Mo2 N18 O14 -","2","0.25","","Darwish, Wael; Seikel, Elisabeth; Harms, Klaus; Burghaus, Olaf; Sundermeyer, Jörg","Synthetic, spectroscopic, and structural studies on organoimido molybdenum, tungsten, and rhenium phthalocyanines.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1183","1188","10.1039/c0dt01166e","","","0.71073","MoKα","","0.0672","0.0497","","","0.093","0.0978","","","","","","1.1","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014846","18.8879","0.0009","18.8879","0.0009","15.3095","0.0007","90","","90","","90","","5461.7","0.4","100","2","100","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C80 H129 O46 Tb9 -","- C80 H121 O42 Tb9 -","- C160 H242 O84 Tb18 -","2","0.25","","Wu, Yinglan; Morton, Scott; Kong, Xiangjian; Nichol, Gary S.; Zheng, Zhiping","Hydrolytic synthesis and structural characterization of lanthanide-acetylacetonato/hydroxo cluster complexes‒a systematic study.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1041","1046","10.1039/c0dt01218a","","","0.71073","MoKα","","0.0553","0.0302","","","0.0578","0.0619","","","","","","0.98","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7018431","20.6997","0.0004","20.6997","0.0004","9.9205","0.0005","90","","90","","90","","4250.7","0.2","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C66 H92 Fe2 Mn4 N24 O14 -","- C66 H92 Fe2 Mn4 N24 O14 -","- C132 H184 Fe4 Mn8 N48 O28 -","2","0.25","","Peresypkina, Eugenia V.; Vostrikova, Kira E.","2[Mn(acacen)](+) + 1[Fe(CN)(5)NO](-) polynuclear heterobimetallic coordination compounds of different dimensionality in the solid state.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4100","4106","10.1039/c2dt11983h","","","0.71073","MoKα","","0.0371","0.029","","","0.069","0.0731","","","","","","1.08","","","","has coordinates,has disorder","179888","2020-10-21","18:00:00",""
"7020276","15.1209","0.0002","15.1209","0.0002","18.2971","0.0004","90","","90","","90","","4183.48","0.12","123","","123","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C100 H76 Cu F6 N8 P -","- C100 H76 Cu F6 N8 P -","- C200 H152 Cu2 F12 N16 P2 -","2","0.25","","Bozic-Weber, Biljana; Chaurin, Valerie; Constable, Edwin C.; Housecroft, Catherine E.; Meuwly, Markus; Neuburger, Markus; Rudd, Jennifer A.; Schönhofer, Ewald; Siegfried, Liselotte","Exploring copper(i)-based dye-sensitized solar cells: a complementary experimental and TD-DFT investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14157","14169","10.1039/c2dt31159c","","","0.71073","MoKα","","0.0902","0.0494","","0.1193","0.0524","0.0465","","","","","","1.0236","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020277","15.1209","0.0002","15.1209","0.0002","18.2971","0.0004","90","","90","","90","","4183.48","0.12","123","","123","","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C101 H84 Cu F6 N8 O3 P -","- C101 H76 Cu F6 N8 O3 P -","- C202 H152 Cu2 F12 N16 O6 P2 -","2","0.25","","Bozic-Weber, Biljana; Chaurin, Valerie; Constable, Edwin C.; Housecroft, Catherine E.; Meuwly, Markus; Neuburger, Markus; Rudd, Jennifer A.; Schönhofer, Ewald; Siegfried, Liselotte","Exploring copper(i)-based dye-sensitized solar cells: a complementary experimental and TD-DFT investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14157","14169","10.1039/c2dt31159c","","","0.71073","MoKα","","0.0965","0.0535","","0.1233","0.0533","0.0472","","","","","","1.046","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022367","20.188","0.0003","20.188","0.0003","21.5726","0.0007","90","","90","","90","","8792","0.3","100","2","100","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C164 H190 Cl12 Fe8 O37 -","- C164 H190 Cl12 Fe8 O37 -","- C328 H380 Cl24 Fe16 O74 -","2","0.25","","Abdulwahab, Khadijat; Malik, Mohammad A.; O'Brien, Paul; Govender, Kuveshni; Muryn, Christopher A.; Timco, Grigore A.; Tuna, Floriana; Winpenny, Richard E. P.","Synthesis of monodispersed magnetite nanoparticles from iron pivalate clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","196","206","10.1039/c2dt32478d","","","0.71073","MoKα","","0.0926","0.0564","","","0.1481","0.1685","","","","","","1.101","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7025141","19.1332","0.0004","19.1332","0.0004","18.6926","0.0003","90","","90","","90","","6843","0.2","200","2","200","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C88 H121 N21 O70.5 Pr9 -","- C88 H106 N21 O69.78 Pr9 -","- C176 H212 N42 O139.56 Pr18 -","2","0.25","","Xu, Gong-Feng; Gamez, Patrick; Teat, Simon J.; Tang, Jinkui","Praseodymium(III)-based bis-metallacalix[4]arene with host-guest behaviour.","Dalton transactions (Cambridge, England : 2003)","2010","39","18","4353","4357","10.1039/b925297e","","","0.71073","MoKα","","0.0775","0.0415","","","0.1124","0.1247","","","","","","1.083","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7026317","17.0336","0.0007","17.0336","0.0007","17.5784","0.0009","90","","90","","90","","5100.3","0.4","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C64 H96 N20 O48 Pd2 -","- C64 H64 N18 O44 Pd2 -","- C128 H128 N36 O88 Pd4 -","2","0.25","","Sahoo, Himansu Sekhar; Chand, Dillip Kumar","Conformation of N,N'-bis(3-pyridylformyl)piperazine and spontaneous formation of a saturated quadruple stranded metallohelicate.","Dalton transactions (Cambridge, England : 2003)","2010","39","31","7223","7225","10.1039/c0dt00337a","","","0.71073","MoKα","","0.187","0.0844","","","0.2131","0.2345","","","","","","0.998","","","","has coordinates","179969","2020-10-21","18:00:00",""
"7027558","15.937","0.002","15.9367","","21.982","0.005","90","","90","","90","","5583.1","1.5","301.2","","301.2","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C128 H80 Cu8 Pt4 -","- C128 H80 Cu8 Pt4 -","- C256 H160 Cu16 Pt8 -","2","0.25","","Wing-Wah Yam, Vivian; Yu, Ka-Lai; Cheung, Kung-Kai","Luminescence and aggregation studies of hexanuclear platinum‒copper acetylide complexes. Crystal structure of the luminescent metal‒metal bonded dimer [Pt2Cu4(CCPh)8]2","Journal of the Chemical Society, Dalton Transactions","1999","","17","2913","","10.1039/a903986d","","","0.7107","MoKalpha","","","0.0357","","","0.052","","","","","1.754","1.754","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034082","28.096","0.003","28.096","0.003","16.694","0.002","90","","90","","90","","13178","3","93","","93","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C32 H74 Hg N8 P4 Se4 -","- C32 H74 Hg N8 P4 Se4 -","- C256 H592 Hg8 N64 P32 Se32 -","8","1","","Nordheider, Andreas; Hüll, Katharina; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Thirumoorthi, Ramalingam; Chivers, Tristram","Spirocyclic, macrocyclic and ladder complexes of coinage metals and mercury with dichalcogeno P2N2-supported anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5338","5346","10.1039/c5dt00159e","","","0.71075","MoKα","","0.0953","0.0575","","","0.1837","0.2089","","","","","","1.038","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7035739","24.6698","0.0015","24.6698","0.0015","9.9668","0.0012","90","","90","","90","","6065.8","0.9","296","2","296","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C132 H116 Br Co4 N8 Na5 O32 -","- C131.84 H115.64 Br Co4 N8 Na5 O32 -","- C263.68 H231.28 Br2 Co8 N16 Na10 O64 -","2","0.25","","An, Bing; Wang, Jun-Li; Bai, Yan; Dang, Dong-Bin","Systematic design of secondary building units by an efficient cation-directing strategy under regular vibrations of ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14666","14672","10.1039/c5dt01595b","","","0.71073","MoKα","","0.0681","0.0459","","","0.1175","0.1258","","","","","","1.058","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036521","7.83965","0.00013","7.83965","0.00013","3.87551","0.00006","90","","90","","90","","238.189","0.007","","","","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- F6 Fe2 H12 O6 -","- F3 Fe H6 O3 -","- F6 Fe2 H12 O6 -","2","0.25","","Nénert, Gwilherm; Fabelo, Oscar; Forsberg, Kerstin; Colin, Claire V; Rodríguez-Carvajal, Juan","Structural and magnetic properties of the low-dimensional fluoride β-FeF3(H2O)2.H2O.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14130","14138","10.1039/c5dt02242h","powder diffraction","","1.35844","ConstantWavelengthNeutronDiffraction+X-rayKa1Cobaltradiation","","","","","","","","","3.2735","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7037583","16.3153","0.0019","16.3153","0.0019","30.68","0.006","90","","90","","90","","8167","2","173","","173","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C158 H179 Cl6 Cu3 N25 O10 -","- C158 H156 Cl6 Cu3 N25 O10 -","- C316 H312 Cl12 Cu6 N50 O20 -","2","0.25","","Sone, Eriko; Sato, Moeko; Yamanishi, Katsunori; Kamio, Chihiro; Takemoto, Hiroyuki; Kondo, Mitsuru","Self-assembled construction of a sheet-type coordination polymer bearing cationic M2L4 cages: creation of channel-like space for removal of ClO4(-) and NO3(-) from aqueous solutions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","894","898","10.1039/c5dt03602j","","","0.71075","MoKα","","","0.0755","","","","0.1521","","","","","","1.004","","","","has coordinates","176038","2020-10-21","18:00:00",""
"7040049","22.6489","0.0007","22.6489","0.0007","23.3214","0.0009","90","","90","","90","","11963.2","0.7","150","2","150","2","","","","","","","","8","P 4/n :2","-P 4a","85","3-PMo12PF6","[{(AuLCl)4(μ4-O)}]2[α-PMo12O40]PF6","","- C164 H144 Au8 Cl32 F6 Mo12 O50 P10 -","- C164 H144 Au8 Cl32 F6 Mo12 O50 P10 -","- C328 H288 Au16 Cl64 F12 Mo24 O100 P20 -","2","0.25","","Nagashima, Eri; Yoshida, Takuya; Matsunaga, Satoshi; Nomiya, Kenji","The effect of counteranions on the molecular structures of phosphanegold(i) cluster cations formed by polyoxometalate (POM)-mediated clusterization.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13565","13575","10.1039/c6dt02670b","","","0.71075","MoKα","","0.0882","0.0824","","","0.2822","0.2888","","","","","","1.033","","","","has coordinates","186412","2020-10-21","18:00:00",""
"7042363","16.32274","0.00018","16.32274","0.00018","13.22212","0.00018","90","","90","","90","","3522.79","0.07","100","","100","","","","","","","","synthesized","6","P 4/n :2","-P 4a","85","","","","- C76 H76 B Co F4 N14 -","- C76 H76 B Co F4 N14 -","- C152 H152 B2 Co2 F8 N28 -","2","0.25","","Bennington, Michael S.; Feltham, Humphrey L. C.; Buxton, Zoë J; White, Nicholas G.; Brooker, Sally","Tuneable reversible redox of cobalt(iii) carbazole complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4696","4710","10.1039/c7dt00295e","","","1.54184","CuKα","","0.0673","0.0619","","0.1809","0.1725","0.1809","","","","","","1.0276","","","","has coordinates,has disorder","196451","2020-10-21","18:00:00",""
"7049019","13.3508","0.0002","13.3508","0.0002","9.3819","0.0002","90","","90","","90","","1672.27","0.05","150.01","0.1","150.01","0.1","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C32 H12 B F24 Na -","- C32 H12 B F24 Na -","- C64 H24 B2 F48 Na2 -","2","0.25","","Martínez-Martínez, Antonio J.; Weller, Andrew S.","Solvent-free anhydrous Li+, Na+ and K+ salts of [B(3,5-(CF3)2C6H3)4]−, [BArF4]−. Improved synthesis and solid-state structures","Dalton Transactions","2019","","","","","10.1039/C9DT00235A","","x-ray","1.54184","CuKα","","0.0625","0.061","","","0.153","0.1541","","","","","","1.085","","","","has coordinates,has disorder","287753","2023-11-23","09:34:44",""
"7052277","13.292","0.005","13.292","0.005","13.743","0.005","90","","90","","90","","2428.1","1.6","295","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C13.5 H14 N0.25 O1.25 W0.25 -","- C13.5 H14.75 N0.25 O1.25 W0.25 -","- C108 H118 N2 O10 W2 -","8","1","","Arduini, Arturo; Massera, Chiara; Pochini, Andrea; Secchi, Andrea; Ugozzoli, Franco","Organic guests inclusion by tungsten-calix[4]arene hosts","New Journal of Chemistry","2006","30","6","952","","10.1039/b603006h","","","0.71069","MoKα","","0.0668","0.0402","","","0.0908","0.0995","","","","","","0.78","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7056066","37.5699","0.0007","37.5699","0.0007","5.3064","0.0001","90","","90","","90","","7490","0.2","293","0.1","293","0.1","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C42 H40 N2 S4 -","- C42 H40 N2 S4 -","- C336 H320 N16 S32 -","8","1","","Croué, V.; Krykun, S.; Allain, M.; Morille, Y.; Aubriet, F.; Carré, V.; Voitenko, Z.; Goeb, S.; Sallé, M.","A self-assembled M2L4 cage incorporating electron-rich 9-(1,3-dithiol-2-ylidene)fluorene units","New J. Chem.","2017","41","9","3238","","10.1039/C7NJ00062F","","x-ray","1.54184","CuKα","","0.0944","0.0727","","","0.205","0.2286","","","","","","1.057","","","","has coordinates","196498","2020-10-21","18:00:00",""
"7059031","21.6307","0.0004","21.6307","0.0004","17.8974","0.0007","90","","90","","90","","8374","0.4","296","2","296.15","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C144 H179 Gd9 N16 O47 -","- C144 H168 Gd9 N16 O42 -","- C288 H336 Gd18 N32 O84 -","2","0.25","","Huang, Yuan; Qin, Yaru; Ge, Yu; Cui, Yanfeng; Zhang, Xiamei; Li, Yahong; Yao, Jinlei","Rationally assembled nonanuclear lanthanide clusters: Dy9 displays slow relaxation of magnetization and Tb9 serves as luminescent sensor for Fe3+, CrO42- and Cr2O72-","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04893F","","","0.71073","MoKα","","0.1013","0.0758","","","0.1704","0.1829","","","","","","1.145","","","","has coordinates","227687","2020-10-21","18:00:00",""
"7059032","21.6995","0.0003","21.6995","0.0003","17.9503","0.0007","90","","90","","90","","8452.2","0.4","296","2","296.15","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C144 H173 Eu9 N16 O44 -","- C144 H168 Eu9 N16 O42 -","- C288 H336 Eu18 N32 O84 -","2","0.25","","Huang, Yuan; Qin, Yaru; Ge, Yu; Cui, Yanfeng; Zhang, Xiamei; Li, Yahong; Yao, Jinlei","Rationally assembled nonanuclear lanthanide clusters: Dy9 displays slow relaxation of magnetization and Tb9 serves as luminescent sensor for Fe3+, CrO42- and Cr2O72-","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04893F","","","0.71073","MoKα","","0.1087","0.0758","","","0.156","0.1755","","","","","","1.085","","","","has coordinates","227687","2020-10-21","18:00:00",""
"7059033","21.5916","0.0003","21.5916","0.0003","17.8737","0.0004","90","","90","","90","","8332.7","0.2","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C144 H177 N16 O46 Tb9 -","- C144 H168 N16 O42 Tb9 -","- C288 H336 N32 O84 Tb18 -","2","0.25","","Huang, Yuan; Qin, Yaru; Ge, Yu; Cui, Yanfeng; Zhang, Xiamei; Li, Yahong; Yao, Jinlei","Rationally assembled nonanuclear lanthanide clusters: Dy9 displays slow relaxation of magnetization and Tb9 serves as luminescent sensor for Fe3+, CrO42- and Cr2O72-","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04893F","","","0.71073","MoKα","","0.0592","0.0403","","","0.0862","0.0982","","","","","","1.065","","","","has coordinates","227687","2020-10-21","18:00:00",""
"7059034","21.6913","0.0004","21.6913","0.0004","17.8971","0.0007","90","","90","","90","","8420.8","0.4","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C144 H175 Ho9 N16 O45 -","- C144 H168 Ho9 N16 O42 -","- C288 H336 Ho18 N32 O84 -","2","0.25","","Huang, Yuan; Qin, Yaru; Ge, Yu; Cui, Yanfeng; Zhang, Xiamei; Li, Yahong; Yao, Jinlei","Rationally assembled nonanuclear lanthanide clusters: Dy9 displays slow relaxation of magnetization and Tb9 serves as luminescent sensor for Fe3+, CrO42- and Cr2O72-","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04893F","","","0.71073","MoKα","","0.0877","0.0548","","","0.0985","0.1131","","","","","","0.827","","","","has coordinates","227687","2020-10-21","18:00:00",""
"7059035","21.5445","0.0003","21.5445","0.0003","17.8651","0.0006","90","","90","","90","","8292.4","0.3","296","2","296.15","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C144 H183 Dy9 N16 O49 -","- C144 H168 Dy9 N16 O42 -","- C288 H336 Dy18 N32 O84 -","2","0.25","","Huang, Yuan; Qin, Yaru; Ge, Yu; Cui, Yanfeng; Zhang, Xiamei; Li, Yahong; Yao, Jinlei","Rationally assembled nonanuclear lanthanide clusters: Dy9 displays slow relaxation of magnetization and Tb9 serves as luminescent sensor for Fe3+, CrO42- and Cr2O72-","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04893F","","","0.71073","MoKα","","0.0614","0.0471","","","0.1056","0.1133","","","","","","1.096","","","","has coordinates","227687","2020-10-21","18:00:00",""
"7061100","25.1425","0.0013","25.1425","0.0013","8.4349","0.0004","90","","90","","90","","5332.1","0.5","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C25.4 H30.8 Cl2.8 N3 P Pt -","- C25 H30 Cl2 N3 P Pt -","- C200 H240 Cl16 N24 P8 Pt8 -","8","1","","Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr","Coordination behaviour of a hybrid phosphinoguanidine ligand","New Journal of Chemistry","2022","46","3","1060","1071","10.1039/D1NJ05237C","","","0.71073","MoKα","","0.0347","0.0328","","","0.0719","0.0725","","","","","","1.289","","","","has coordinates","272748","2022-02-04","19:58:39",""
"7062348","30.879","0.004","30.879","0.004","20.44","0.004","90","","90","","90","","19490","5","293","2","293","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C84 H92 F12 Fe2 N6 O7 P6 Ru -","- C84 H78 F12 Fe2 N6 P6 Ru -","- C672 H624 F96 Fe16 N48 P48 Ru8 -","8","1","","Liu, Ming; Xiong, Yan; Xu, Weixiu; Wang, Yong","Synthesis and structural and spectroscopic properties of a cyanido-bridged mixed-valence compound [Fe–NC–Ru–CN–Fe]","New Journal of Chemistry","2023","47","14","6796","6803","10.1039/D3NJ00049D","","","0.71073","MoKα","","0.1365","0.0758","","","0.1921","0.2522","","","","","","1.035","","","","has coordinates,has disorder","283402","2023-05-05","03:01:04",""
"7100207","12.717","0.003","12.717","0.003","13.457","0.006","90","","90","","90","","2176.2","1.1","173","2","173","2","","","","","","","","3","P 4/n :2","-P 4a","85","Pentyl","","","- C48 H64 O4 -","- C47.988 H64 O4 -","- C95.976 H128 O8 -","2","0.25","","J. L. Atwood; Leonard J. Barbour; Praveen Kumar Thallapally; Trevor B. Wirsig","Crystal engineering of nonporous organic solids for methane sorption","Chemical Communications","2005","","","","","10.1039/b507406a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180104","2020-10-21","18:00:00",""
"7101041","22.176","0.0013","22.176","0.0013","21.437","0.002","90","","90","","90","","10542.2","1.3","173","2","173","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C100 H106 N4 O23 P4 S4 -","- C100 H104 N4 O23 P4 S4 -","- C400 H416 N16 O92 P16 S16 -","4","0.5","","","","Chemical Communications","2006","","","","","10.1039/b601016d","","","","","","","","","","","","","","","","","","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7101497","42.5993","0.0011","42.5993","0.0011","8.5359","0.0002","90","","90","","90","","15490.1","0.7","120","2","120","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C284 H432 F N37 O36 -","- C284 H432 F N37 O36 -","- C568 H864 F2 N74 O72 -","2","0.25","","Philip Gale","Anion-binding modes in a macrocyclic amidourea","Chemical Communications","2006","","41","","","10.1039/b610938a","","","0.71073","MoKα","","0.2726","0.1722","","","0.4091","0.4582","","","","","","1.298","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7102091","18.656","0.015","18.656","0.015","9.378","0.007","90","","90","","90","","3264","4","93","2","93","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C32.4 H97.6 Al24 N9 O107 P18.5 Si5.5 -","- C14.4 Al24 N1.8 O101.6 P24 -","- C14.4 Al24 N1.8 O101.6 P24 -","1","0.125","","Castro, Maria; Garcia, Raquel; Warrender, Stewart J; Slawin, Alexandra M Z; Wright, Paul A; Cox, Paul A; Fecant, Antoine; Mellot-Draznieks, Caroline; Bats, Nicolas","Co-templating and modelling in the rational synthesis of zeolitic solids.","Chemical communications (Cambridge, England)","2007","","33","3470","3472","10.1039/b705377k","","","0.71073","MoKα","","0.1581","0.1027","","","0.194","0.218","","","","","","1.18","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102378","14.8455","0.0008","14.8455","0.0008","12.2984","0.0009","90","","90","","90","","2710.4","0.3","150.2","","","","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C40 H28 Cu4 F24 N12 O4 P4 -","- C40 H28 Cu4 F24 N12 O4 P4 -","- C80 H56 Cu8 F48 N24 O8 P8 -","2","0.25","","Maekawa, Masahiko; Konaka, Hisashi; Minematsu, Toshie; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Bowl-shaped Cu(I) metallamacrocyclic ethylene and carbonyl adducts as structural analogues of organic calixarenes.","Chemical communications (Cambridge, England)","2007","","48","5179","5181","10.1039/b713618h","","","0.7107","MoKα","","","0.0511","","","","0.0928","","","","","","1.19","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7102521","19.466","0.004","19.466","0.004","18.53","0.004","90","","90","","90","","7021","3","293","2","293","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C150 H115 O25 Y5 -","- C150 H108 O25 Y5 -","- C300 H216 O50 Y10 -","2","0.25","","Roesky, Peter W; Canseco-Melchor, Graciela; Zulys, Agustino","A pentanuclear yttrium hydroxo cluster as an oxidation catalyst. Catalytic oxidation of aldehydes in the presence of air.","Chemical communications (Cambridge, England)","2004","","6","738","739","10.1039/b315218a","","","0.71073","MoKα","","0.1177","0.0643","","","0.1687","0.1867","","","","","","0.849","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102672","12.8581","0.0002","12.8581","0.0002","13.2833","0.0003","90","","90","","90","","2196.14","0.07","293","2","293","2","","","","","","","","4","P 4/n :2","-P 4a","85","p-tert-butyl-calix(4)arene*fluorobenzene","p-tert-butyl-calix[4]arene*fluorobenzene","","- C50 H61 F O4 -","- C50 H61 F O4 -","- C100 H122 F2 O8 -","2","0.25","","Enright, Gary D; Udachin, Konstantin A; Ripmeester, John A","Electrostatic and short-range interactions compete in directing the structure of p-tert-butylcalix[4]arene inclusion compounds of fluorinated benzenes.","Chemical communications (Cambridge, England)","2004","","12","1360","1361","10.1039/b401269k","","","0.71073","MoKα","","0.068","0.0527","","","0.1475","0.1629","","","","","","1.027","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102681","18.028","0.003","18.028","0.003","8.1143","0.0016","90","","90","","90","","2637.3","0.7","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","[Ni(TUP)4(H2O)2]SO4.2H2O","[Ni(TUP)4(H2O)2]SO4.2H2O","","- C52 H58 N12 Ni O12 S -","- C52 H58 N12 Ni O12 S -","- C104 H116 N24 Ni2 O24 S2 -","2","0.25","","Turner, David R; Hursthouse, M B; Light, M E; Steed, Jonathan W","Linear distortion of octahedral metal centres by multiple hydrogen bonds in modular ML(4) systems.","Chemical communications (Cambridge, England)","2004","","12","1354","1355","10.1039/b402884h","","","0.71073","MoKα","","0.0822","0.0406","","","0.0847","0.0958","","","","","","1","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102682","18.07","0.003","18.07","0.003","8.0756","0.0016","90","","90","","90","","2636.9","0.7","173","2","173","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C52 H64 Co N12 O12 S -","- C52 H64 Co N12 O12 S -","- C104 H128 Co2 N24 O24 S2 -","2","0.25","","Turner, David R; Hursthouse, M B; Light, M E; Steed, Jonathan W","Linear distortion of octahedral metal centres by multiple hydrogen bonds in modular ML(4) systems.","Chemical communications (Cambridge, England)","2004","","12","1354","1355","10.1039/b402884h","","","0.71073","MoKα","","0.0484","0.0429","","","0.1007","0.1018","","","","","","1.177","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102683","18.076","0.0005","18.076","0.0005","8.1208","0.0003","90","","90","","90","","2653.41","0.14","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","[Zn(TUP)4(H2O)2]SO4.2H2O","[Zn(TUP)4(H2O)2]SO4.2H2O","","- C52 H60 N12 O14 S Zn -","- C52 H60 N12 O14 S Zn -","- C104 H120 N24 O28 S2 Zn2 -","2","0.25","","Turner, David R; Hursthouse, M B; Light, M E; Steed, Jonathan W","Linear distortion of octahedral metal centres by multiple hydrogen bonds in modular ML(4) systems.","Chemical communications (Cambridge, England)","2004","","12","1354","1355","10.1039/b402884h","","","0.71073","MoKα","","0.0997","0.0575","","","0.1454","0.1639","","","","","","1.036","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102684","17.846","0.003","17.846","0.003","8.3019","0.0017","90","","90","","90","","2644","0.8","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","[Cu(TUP)4(H2O)2]SO4.2H2O","[Cu(TUP)4(H2O)2]SO4.2H2O","","- C52 H56 Cu N12 O12 S -","- C52 H56 Cu N12 O12 S -","- C104 H112 Cu2 N24 O24 S2 -","2","0.25","","Turner, David R; Hursthouse, M B; Light, M E; Steed, Jonathan W","Linear distortion of octahedral metal centres by multiple hydrogen bonds in modular ML(4) systems.","Chemical communications (Cambridge, England)","2004","","12","1354","1355","10.1039/b402884h","","","0.71073","MoKα","","0.0603","0.047","","","0.1112","0.1196","","","","","","1.055","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7103199","27.2293","0.0007","27.2293","0.0007","8.7855","0.0004","90","","90","","90","","6513.9","0.4","292","2","292","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C34 H31.2 N4 O7.6 -","- C34 H28 N4 O6 -","- C272 H224 N32 O48 -","8","1","","She, Neng-Fang; Meng, Xiang-Gao; Gao, Meng; Wu, An-Xin; Isaacs, Lyle","Tetrameric molecular bowl assembled from glycoluril building blocks.","Chemical communications (Cambridge, England)","2008","","27","3133","3135","10.1039/b800785c","","","0.71073","MoKα","","0.1366","0.0685","","","0.1603","0.181","","","","","","0.927","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7103847","51.726","0.002","51.726","0.002","21.7465","0.0011","90","","90","","90","","58185.4","4.1","183","2","183","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- H1100 K30 Mo146 Na16 O1043 S16 -","- K20 Mo146 Na3 O840 S16 -","- K40 Mo292 Na6 O1680 S32 -","2","0.25","","Müller, Achim; Toma, Liviu; Bögge, Hartmut; Schmidtmann, Marc; Kögerler, Paul","Synergetic activation of ""silent receptor"" sites leading to a new type of inclusion complex: integration of a 64-membered ring comprising K+ and SO~4~^2-^ ions into a molybdenum oxide-based nanoobject","Chemical Communications (Cambridge, United Kingdom)","2003","","16","2000","2001","10.1039/b305447k","","","0.71073","MoKalpha","","0.1427","0.0843","","0.2394","0.1961","","","","1.052","1.166","1.166","","","","","has coordinates","210716","2020-10-21","18:00:00",""
"7104161","16.9276","0.0002","16.9276","0.0002","11.5475","0.0002","90","","90","","90","","3308.86","0.08","150","2","150","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C60 H48 Cl9 Cu2 F6 N12 P Pt -","- C60 H48 Cl9 Cu2 F6 N12 P Pt -","- C120 H96 Cl18 Cu4 F12 N24 P2 Pt2 -","2","0.25","","Liu, Isiah Po-Chun; Chen, Chi-Hui; Chen, Chi-Fen; Lee, Gene-Hsiang; Peng, Shie-Ming","Asymmetric heterometal string complexes: stereochemical control of the unique isomer of (4,0)[CuCuPd(npa)4Cl][PF6] and (4,0)[CuCuPt(npa)4Cl][PF6].","Chemical communications (Cambridge, England)","2009","34","5","577","579","10.1039/b817032k","","","0.71073","MoKα","","0.0861","0.0723","","","0.2109","0.2224","","","","","","1.079","","","","has coordinates","180144","2020-10-21","18:00:00",""
"7104676","31.745","0.003","31.745","0.003","8.2835","0.0015","90","","90","","90","","8347.9","1.9","170","2","170","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C33 H38 In N2 O11 -","- C33 H34 In N2 O11 -","- C264 H272 In8 N16 O88 -","8","1","","Huh, Seong; Kwon, Tae-Hwan; Park, Noejung; Kim, Sung-Jin; Kim, Youngmee","Nanoporous In-MOF with multiple one-dimensional pores.","Chemical communications (Cambridge, England)","2009","34","33","4953","4955","10.1039/b905138d","","","0.71073","MoKα","","0.146","0.0998","","","0.2668","0.2812","","","","","","1.089","","","","has coordinates","180149","2020-10-21","18:00:00",""
"7105127","14.396","0.008","14.396","0.008","9.799","0.005","90","","90","","90","","2030.8","1.9","293","2","293","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C36 H44 O16 P4 -","- C36 H44 O16 P4 -","- C72 H88 O32 P8 -","2","0.25","","Massera, Chiara; Melegari, Monica; Ugozzoli, Franco; Dalcanale, Enrico","Formation of tetrameric water clusters driven by a cavitand template.","Chemical communications (Cambridge, England)","2009","46","1","88","90","10.1039/b917931c","","","0.71069","MoKα","","0.1166","0.0481","","","0.0765","0.0846","","","","","","1.006","","","","has coordinates","180155","2020-10-21","18:00:00",""
"7105128","14.352","0.002","14.352","0.002","9.8218","0.0017","90","","90","","90","","2023.2","0.6","293","2","293","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C37 H48 O17 P4 -","- C37 H36 O17 P4 -","- C74 H72 O34 P8 -","2","0.25","","Massera, Chiara; Melegari, Monica; Ugozzoli, Franco; Dalcanale, Enrico","Formation of tetrameric water clusters driven by a cavitand template.","Chemical communications (Cambridge, England)","2009","46","1","88","90","10.1039/b917931c","","","0.71069","MoKα","","0.0657","0.0467","","","0.1417","0.1509","","","","","","1.008","","","","has coordinates","180155","2020-10-21","18:00:00",""
"7107580","27.0767","0.001","27.0767","","24.9978","0.001","90","","90","","90","","18327.1","1","150","2","150","2","","","","","","","synthesis as described","8","P 4/n :2","-P 4a","85","","","","- C87 H63 Dy F18 N2 O6 P4 Ru -","- C87 H63 Dy F18 N2 O6 P4 Ru -","- C696 H504 Dy8 F144 N16 O48 P32 Ru8 -","8","1","","Lucie Norel; Kevin Bernot; Min Feng; Thierry Roisnel; Andrea Caneschi; Roberta Sessoli; Stephane Rigaut","A carbon-rich ruthenium decorated dysprosium single molecule magne","Chem.Commun.","2012","48","","3948","","10.1039/c2cc30604b","","x-ray","0.71073","MoKα","","0.1161","0.0591","","","0.1527","0.1714","","","","","","1.03","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107720","20.2591","0.0007","20.2591","0.0007","12.8252","0.0004","90","","90","","90","","5263.9","0.3","200","","200","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C128 H68 Cl4 N20 O4 Tb2 -","- C128 H68 Cl4 N20 O4 Tb2 -","- C256 H136 Cl8 N40 O8 Tb4 -","2","0.25","","Shohei Sakaue; Akira Fuyuhiro; Takamitsu Fukuda; Naoto Ishikawa","Dinuclear single-molecule magnets with porphyrin-phthalocyanine mixed triple-decker ligand systems giving SAP and SP coordination polyhedra","Chem.Commun.","2012","48","","5337","","10.1039/c2cc31125a","","","0.71075","MoKα","","","0.0648","","","","0.1653","","","","","","1.227","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107741","27.429","0.005","27.429","0.005","9.897","0.005","90","0.005","90","0.005","90","0.005","7446","4","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C20 H10 Cd N6 O8.5 -","- C20 H10 Cd N6 O8.5 -","- C160 H80 Cd8 N48 O68 -","8","1","","Tamas Panda; Tanay Kundu; Rahul Banerjee","Self-assembled one dimensional functionalized metal-organic nanotubes (MONTs) for proton conduction","Chem.Commun.","2012","48","","5464","","10.1039/c2cc31527k","","","0.71073","MoKα","","0.1132","0.0927","","","0.2739","0.2963","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107742","26.6386","0.0005","26.6386","0.0005","9.8419","0.0003","90","","90","","90","","6984","0.3","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C20 H10 In N6 O8 -","- C20 H10 In N6 O8 -","- C160 H80 In8 N48 O64 -","8","1","","Tamas Panda; Tanay Kundu; Rahul Banerjee","Self-assembled one dimensional functionalized metal-organic nanotubes (MONTs) for proton conduction","Chem.Commun.","2012","48","","5464","","10.1039/c2cc31527k","","","0.71073","MoKα","","0.0971","0.0778","","","0.2224","0.2347","","","","","","1.099","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7110007","24.1267","0.0004","24.1267","0.0004","11.3077","0.0004","90","","90","","90","","6582.2","0.3","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C14 H9 Cu2 O13 S2 -","- C14 H9 Cu2 O13 S2 -","- C112 H72 Cu16 O104 S16 -","8","1","","Xi-Yan Dong; Rui Wang; Jia-Bin Li; Shuang-Quan Zang; Hong-Wei Hou; Thomas C. W. Mak","A tetranuclear Cu4(mu3-OH)2-based metal-organic framework (MOF) with sulfonate-carboxylate ligands for proton conduction","Chem.Commun.","2013","49","","10590","","10.1039/c3cc46226a","","","0.71073","MoKα","","0.0684","0.0509","","","0.1369","0.1449","","","","","","1.005","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110568","16.472","0.002","16.472","0.002","13.664","0.003","90","","90","","90","","3707.4","1","180","2","180","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C18.88 H22.25 Li N O P -","- C18.78 H21 Li N O P -","- C150.24 H168 Li8 N8 O8 P8 -","8","1","","Clegg, William; Liddle, Stephen T.; Davies, Robert P.; Dunbar, Lorraine; Feeder, Neil; Snaith, Ronald; Wheatley, Andrew E. H.; Mulvey, Robert E.","Lithiated organophosphorus enamines: a new synthetic approach and the first crystal structures","Chemical Communications","1999","","15","1401","","10.1039/a903175h","","","0.71073","MoKα","","0.0858","0.0618","","0.2018","0.1774","","","","1.068","1.112","1.112","","","","","has coordinates","180219","2020-10-21","18:00:00",""
"7110619","9.966","0.003","9.966","0.003","15.907","0.006","90","","90","","90","","1579.9","0.9","213","2","213","2","","","","","","","synthesis","5","P 4/n :2","-P 4a","85","","","","- C28 H48 Cl2 Ir2 N12 -","- C28 H48 Cl2 Ir2 N12 -","- C56 H96 Cl4 Ir4 N24 -","2","0.25","","Albert Cotton, F.; Murillo, Carlos A.; Timmons, Daren J.; Murillo, Carlos A.","First paddlewheel complex with a doubly-bonded Ir26+ core","Chemical Communications","1999","","15","1427","","10.1039/a904698d","","","0.71073","MoKα","","0.0497","0.0384","","0.0931","0.0803","","","","1.15","1.156","1.156","","","","","has coordinates","180220","2020-10-21","18:00:00",""
"7114832","19.243","0.001","19.243","0.001","9.649","0.001","90","","90","","90","","3573","0.5","150","2","150","2","","","","","","","synthesis as described","4","P 4/n :2","-P 4a","85","","","","- C72 H104 Fe4 Si4 -","- C72 H104 Fe4 Si4 -","- C144 H208 Fe8 Si8 -","2","0.25","","Hascall, Tony; Drewitt, Mark J.; O′Hare, Dermot","Silicon-bridged bis(cyclohexadienyl) iron complexes: the first structurally characterised [14]ferrocenophaneElectronic supplementary information (ESI) available: experimental details and NMR spectroscopic data. See http://www.rsc.org/suppdata/cc/b1/b107874g/","Chemical Communications","2001","","24","2600","","10.1039/b107874g","","x-ray","0.71073","MoKα","","0.06","0.0355","","","0.0787","0.0872","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7114969","19.07","0.003","19.07","0.003","5.6631","0.0011","90","","90","","90","","2059.5","0.6","173","2","173","2","","","","","","","","3","P 4/n :2","-P 4a","85","p-benzylcalix[4]arene","tetra-benzyl-tetra-hydroxycalix[4]arene","","- C56 H48 O4.5 -","- C56 H48 O4.5 -","- C112 H96 O9 -","2","0.25","","Makha, Mohamed; Raston, Colin L.","Synthesis of p-benzylcalix[4]arene and its sulfonated water soluble derivative","Chemical Communications","2001","","23","2470","","10.1039/b106161p","","","0.71073","MoKα","","0.0591","0.0455","","","0.1166","0.1245","","","","","","1.079","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114974","17.841","0.008","17.841","0.008","14.008","0.003","90","","90","","90","","4459","3","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C72 H93 N18 Ni9 O32.5 -","- C72 H84 N18 Ni9 O32.5 -","- C144 H168 N36 Ni18 O65 -","2","0.25","","Papaefstathiou, Giannis S.; Escuer, Albert; Vicente, Ramon; Font-Bardia, Merce; Solans, Xavier; Perlepes, Spyros P.","Reactivity in polynuclear transition metal chemistry as a means to obtain high-spin molecules: substitution of µ4-OH‒ by η1,µ4-N3‒ increases nine times the ground-state S value of a nonanuclear nickel(ii) cage","Chemical Communications","2001","","23","2414","","10.1039/b106472j","","","0.71069","MoKα","","0.0666","0.0375","","","0.1052","0.1119","","","","","","0.943","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115715","12.9991","0.0019","12.9991","0.0019","6.573","0.001","90","","90","","90","","1110.7","0.3","100","2","100","2","","","","","","","","2","P 4/n :2","-P 4a","85","","","","- C30 H28 -","- C30 H28 -","- C60 H56 -","2","0.25","","Guo-Feng Zhang; Ze-Qiang Chen; Matthew P. Aldred; Zhe Hu; Tao Chen; Zhenli Huang; Xianggao Meng; Ming-Qiang Zhu","Direct validation of the restriction of intramolecular rotation hypothesis via the synthesis of novel ortho-methyl substituted tetraphenylethenes and their application in cell imaging","Chem.Commun.","2014","50","","12058","","10.1039/C4cc04241G","","","0.71073","MoKα","","0.0785","0.0651","","","0.1656","0.1827","","","","","","1.075","","","","has coordinates,has disorder","180271","2020-10-21","18:00:00",""
"7116165","38.809","0.007","38.809","0.007","10.795","0.002","90","","90","","90","","16259","5","93","","93","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C35 H48 F Ir N2 -","- C35 H48 F Ir N2 -","- C560 H768 F16 Ir16 N32 -","16","2","","Byron J. Truscott; Fady Nahra; Alexandra M. Z. Slawin; David B. Cordes; Steven P. Nolan","Fluoride, bifluoride and trifluoromethyl complexes of iridium(I) and rhodium(I)","Chem.Commun.","2015","51","","62","","10.1039/C4cc07772E","","","0.71075","MoKα","","0.1196","0.1051","","","0.2389","0.2446","","","","","","1.184","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7117494","19.585","","19.585","","8.321","","90","","90","","90","","3191.7","","","","","","","","","","","","","4","P 4/n :2","-P 4a","85","","(S7 I)4 S4 (As F6)6","","- As6 F36 I4 S32 -","- As6 F36 I4 S32 -","- As12 F72 I8 S64 -","2","0.25","","Passmore, J.; Sutherland, G.W.; White, P.S.","Preparation and crystal structures of (S7 I)4 S4 (As F6)6 and S4 (As F6)2*g(S O2)0.6; A convenient synthesis of hexafluoroarsenate salts of chalcogen homoatomic cations","Journal of the Chemical Society. Chemical Communications (1972-)","1980","1980","","330","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","149726","2020-10-21","18:00:00",""
"7119173","19.5965","0.0003","19.5965","0.0003","16.078","0.0003","90","","90","","90","","6174.32","0.18","173","2","173","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C64 H60 F3 N12 O52 P W12 Zn2 -","- C64 H60 F3 N12 O52 P W12 Zn2 -","- C128 H120 F6 N24 O104 P2 W24 Zn4 -","2","0.25","","Jian-Zhen Liao; Chen Wu; Xiao-Yuan Wu; Shui-Quan Deng; Can-Zhong Lu","Exceptional photosensitivity of a polyoxometalate-based charge-transfer hybrid material","Chem.Commun.","2016","52","","7394","","","","","1.54184","CuKα","","0.0442","0.034","","","0.0727","0.0765","","","","","","1.064","","","","has coordinates","186026","2020-10-21","18:00:00",""
"7119316","31.2361","0.0008","31.2361","0.0008","8.08","0.0003","90","","90","","90","","7883.6","0.4","296","2","296","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C36 H40 N2 O6 -","- C36 H40 N2 O6 -","- C288 H320 N16 O48 -","8","1","","Hu, Wenbo; He, Tingchao; Jiang, Rongcui; Yin, Jun; Li, Lin; Lu, Xiaomei; Zhao, Hui; Zhang, Lei; Huang, Ling; Sun, Handong; Huang, Wei; Fan, Quli","Inner salt-shaped small molecular photosensitizer with extremely enhanced two-photon absorption for mitochondrial-targeted photodynamic therapy.","Chemical communications (Cambridge, England)","2017","53","10","1680","1683","10.1039/c6cc09473b","","","1.54178","CuKα","","0.1609","0.1132","","","0.2433","0.2659","","","","","","1.192","","","","has coordinates","191465","2020-10-21","18:00:00",""
"7121401","21.6271","0.0008","21.6271","0.0008","10.6708","0.001","90","","90","","90","","4991.1","0.5","294","2","294","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C25 H26 N2 O4 S2 -","- C25 H26 N2 O4 S2 -","- C200 H208 N16 O32 S16 -","8","1","","Zhao, Yingying; Wang, Chunxiang; Hu, Yancheng; Wan, Boshun","Brønsted acid-catalyzed formal [5+2+1] cycloaddition of ynamides and isoxazoles with water: access to oxygen-bridged tetrahydro-1,4-oxazepines.","Chemical communications (Cambridge, England)","2018","54","32","3963","3966","10.1039/c8cc00881g","","","0.71073","MoKα","","0.0769","0.0549","","","0.1534","0.1726","","","","","","1.058","","","","has coordinates","228082","2020-10-21","18:00:00",""
"7125402","22.724","0.008","22.724","0.008","16.435","0.007","90","","90","","90","","8487","6","100","2","100","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C128 H156 Cl12 N24 Ni6 O24 Si8 -","- C128 H120 Cl12 N24 Ni6 O18 Si8 -","- C256 H240 Cl24 N48 Ni12 O36 Si16 -","2","0.25","","Kumar, Kilaparthi Sravan; Mane, Vishwanath S.; Yadav, Ashok; Kumbhar, Avinash S.; Boomishankar, Ramamoorthy","Photochemical hydrogen evolution from water by a 1D-network of octahedral Ni<sub>6</sub>L<sub>8</sub> cages.","Chemical communications (Cambridge, England)","2019","55","87","13156","13159","10.1039/c9cc06286f","","","0.71073","MoKα","","0.1745","0.088","","","0.2341","0.2959","","","","","","1.033","","","","has coordinates,has disorder","237855","2020-10-21","18:00:00",""
"7125760","34.3321","0.0004","34.3321","0.0004","10.309","0.0001","90","","90","","90","","12151.1","0.2","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C27 H32 Cl N4 Ni Rh -","- C27 H32 Cl N4 Ni Rh -","- C432 H512 Cl16 N64 Ni16 Rh16 -","16","2","","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","1.54186","CuKα","","0.0528","0.0375","","","0.083","0.0916","","","","","","1.031","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7126034","12.782","0.0003","12.782","","8.4363","0.0002","90","","90","","90","","1378.32","0.05","230","","230","","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C18 H26 Eu F4 N5 O9 S4 -","- C18 H26 Eu F4 N5 O9 S4 -","- C36 H52 Eu2 F8 N10 O18 S8 -","2","0.25","","Zeng, Qi; Wang, Lei; Huang, Yitao; Zheng, Sai-Li; He, Yonghe; He, Jun; Liao, Wei-Ming; Xu, Gang; Zeller, Matthias; Xu, Zhengtao","An air-stable anionic two-dimensional semiconducting metal-thiolate network and its exfoliation into ultrathin few-layer nanosheets.","Chemical communications (Cambridge, England)","2020","56","25","3645","3648","10.1039/c9cc09349d","","","0.71073","MoKα","","0.0279","0.0214","","","0.0466","0.051","","","","","","1.059","","","","has coordinates,has disorder","250182","2020-10-21","18:00:00",""
"7126174","38.2","0.005","38.2","0.005","46.77","0.009","90","","90","","90","","68249","18","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C648 H540 Cl0 Eu8 N96 O48 -","- C648 H540 Eu8 N96 O48 -","- C1296 H1080 Eu16 N192 O96 -","2","0.25","","Li, Xiao-Zhen; Zhou, Li-Peng; Hu, Shao-Jun; Cai, Li-Xuan; Guo, Xiao-Qing; Wang, Zhuo; Sun, Qing-Fu","Metal ion adaptive self-assembly of photoactive lanthanide-based supramolecular hosts.","Chemical communications (Cambridge, England)","2020","56","32","4416","4419","10.1039/d0cc00936a","","","0.65253","Synchrotron","","0.1177","0.0857","","","0.2564","0.2962","","","","","","1.118","","","","has coordinates","251552","2020-10-21","18:00:00",""
"7130978","19.6114","0.0012","19.6114","0.0012","11.0115","0.0009","90","","90","","90","","4235.1","0.5","150","","150","","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C32 H96 Ba N5 O47 S12 V12 -","- C32 H96 Ba N5 O47 S12 V12 -","- C64 H192 Ba2 N10 O94 S24 V24 -","2","0.25","","Repp, Stefan; Steiner, Michael; Anjass, Montaha; Sorsche, Dieter; Streb, Carsten","Cation-controlled capture of polyoxovanadate-based organic-inorganic 1D architectures","Chemical Communications","2022","","","","","10.1039/D2CC04379C","","","0.71073","MoKα","","0.0262","0.0249","","","0.0693","0.071","","","","","","1.127","","","","has coordinates,has disorder","279235","2022-11-11","22:58:07",""
"7130979","19.6892","0.0016","19.6892","0.0016","10.9971","0.0013","90","","90","","90","","4263.2","0.7","150","","150","","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C32 H96 La N5 O47 S12 V12 -","- C32 H96 La N5 O47 S12 V12 -","- C64 H192 La2 N10 O94 S24 V24 -","2","0.25","","Repp, Stefan; Steiner, Michael; Anjass, Montaha; Sorsche, Dieter; Streb, Carsten","Cation-controlled capture of polyoxovanadate-based organic-inorganic 1D architectures","Chemical Communications","2022","","","","","10.1039/D2CC04379C","","","0.71073","MoKα","","0.0374","0.0357","","","0.0915","0.0926","","","","","","1.084","","","","has coordinates,has disorder","279235","2022-11-11","22:58:17",""
"7131432","19.427","0.003","19.427","0.003","7.487","0.0015","90","","90","","90","","2825.7","0.8","100","","100","","","","","","","","synthesized","6","P 4/n :2","-P 4a","85","","","","- C56 H72 B Li N8 O20 -","- C56 H48 B Li N8 O20 -","- C112 H96 B2 Li2 N16 O40 -","2","0.25","","Muang-Non, Phonlakrit; Markwell-Heys, Adrian W; Doonan, Christian J.; White, Nicholas G.","Charge ""mis-matched"" hydrogen bonded frameworks for cation exchange and dye sorption.","Chemical communications (Cambridge, England)","2023","59","27","4059","4062","10.1039/d3cc00553d","","","0.71075","Synchrotron","","0.2602","0.2227","","0.2758","0.2638","0.2739","","","","","","1.3458","","","","has coordinates","282266","2023-04-04","09:46:45",""
"7131433","19.6061","0.0008","19.6061","0.0008","15.0982","0.0009","90","","90","","90","","5803.7","0.5","150","","150","0.1","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C56 H72 B N9 O18 -","- C56 H72 B N9 O18 -","- C224 H288 B4 N36 O72 -","4","0.5","","Muang-Non, Phonlakrit; Markwell-Heys, Adrian W; Doonan, Christian J.; White, Nicholas G.","Charge ""mis-matched"" hydrogen bonded frameworks for cation exchange and dye sorption.","Chemical communications (Cambridge, England)","2023","59","27","4059","4062","10.1039/d3cc00553d","","x-ray","1.54184","CuKα","","0.1526","0.0878","","","0.1973","0.246","","","","","","1.016","","","","has coordinates","282266","2023-04-04","09:46:46",""
"7131434","19.5879","0.0012","19.5879","0.0012","15.0908","0.0014","90","","90","","90","","5790.1","0.7","150","0.1","150","0.1","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C112 H140 B2 Ca N16 O38 -","- C112 H140 B2 Ca N16 O38 -","- C224 H280 B4 Ca2 N32 O76 -","2","0.25","","Muang-Non, Phonlakrit; Markwell-Heys, Adrian W; Doonan, Christian J.; White, Nicholas G.","Charge ""mis-matched"" hydrogen bonded frameworks for cation exchange and dye sorption.","Chemical communications (Cambridge, England)","2023","59","27","4059","4062","10.1039/d3cc00553d","","x-ray","1.54184","CuKα","","0.263","0.1038","","","0.2393","0.3546","","","","","","0.963","","","","has coordinates,has disorder","282266","2023-04-04","09:46:48",""
"7131435","19.5332","0.0005","19.5332","0.0005","15.1579","0.0004","90","","90","","90","","5783.4","0.3","150.01","0.1","150.01","0.1","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C112 H140 B2 Mg N16 O38 -","- C112 H140 B2 Mg N16 O38 -","- C224 H280 B4 Mg2 N32 O76 -","2","0.25","","Muang-Non, Phonlakrit; Markwell-Heys, Adrian W; Doonan, Christian J.; White, Nicholas G.","Charge ""mis-matched"" hydrogen bonded frameworks for cation exchange and dye sorption.","Chemical communications (Cambridge, England)","2023","59","27","4059","4062","10.1039/d3cc00553d","","x-ray","1.54184","CuKα","","0.1287","0.0753","","","0.1711","0.2033","","","","","","1.023","","","","has coordinates,has disorder","282266","2023-04-04","09:46:51",""
"7131437","19.618","0.003","19.618","0.003","14.977","0.003","90","","90","","90","","5764.1","1.7","100","0.2","100","0.2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C112 H136 B2 K2 N16 O36 -","- C112 H136 B2 K2 N16 O36 -","- C224 H272 B4 K4 N32 O72 -","2","0.25","","Muang-Non, Phonlakrit; Markwell-Heys, Adrian W; Doonan, Christian J.; White, Nicholas G.","Charge ""mis-matched"" hydrogen bonded frameworks for cation exchange and dye sorption.","Chemical communications (Cambridge, England)","2023","59","27","4059","4062","10.1039/d3cc00553d","","","0.71073","Synchrotron","","0.071","0.0591","","","0.1674","0.1799","","","","","","1.028","","","","has coordinates,has disorder","282266","2023-04-04","09:47:07",""
"7132094","27.406","0.004","27.406","0.004","11.871","0.002","90","","90","","90","","8916","2","293","2","293","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C39 H47 B F3 N O3 S -","- C39 H47 B F3 N O3 S -","- C312 H376 B8 F24 N8 O24 S8 -","8","1","","Chrysochos, Nicolas; Pätsch, Sebastian; Elvers, Benedict Josua; Krummenacher, Ivo; Muneshwar , Nandeshwar; Ganesan, Prabusankar; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","Introducing an orthogonally polarized electron-rich alkene: synthesis of a zwitterionic boron-containing π-conjugated system","Chemical Communications","2023","","","","","10.1039/D3CC03975G","","","0.71073","MoKα","","0.1188","0.0536","","","0.1242","0.1499","","","","","","0.978","","","","has coordinates,has disorder","285954","2023-09-01","21:58:06",""
"7151336","25.7394","0.001","25.7394","0.001","5.9168","0.0006","90","","90","","90","","3920","0.5","150","2","150","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C21 H18 Cl N3 O4 -","- C21 H18 Cl N3 O4 -","- C168 H144 Cl8 N24 O32 -","8","1","","Helm, Matthew D.; Plant, Andrew; Harrity, Joseph P. A.","A novel approach to functionalised pyridazinone arrays.","Organic & biomolecular chemistry","2006","4","23","4278","4280","10.1039/b613223e","","","0.71073","MoKα","","0.0801","0.045","","","0.0966","0.1143","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7153766","13.997","0.004","13.997","0.004","23.804","0.006","90","","90","","90","","4664","2","120","","120","","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C90 H106 Ag2 F6 N8 O23 S2 -","- C90 H104 Ag2 F6 N8 O23 S2 -","- C180 H208 Ag4 F12 N16 O46 S4 -","2","0.25","","Habata, Yoichi; Okeda, Yoko; Ikeda, Mari; Kuwahara, Shunsuke","The water-soluble argentivorous molecule: Ag(+)-π interactions in water.","Organic & biomolecular chemistry","2013","11","25","4265","4270","10.1039/c3ob40125a","","","0.71073","MoKα","","0.0721","0.056","","","0.1417","0.154","","","","","","1.118","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7157558","20.474","0.005","20.474","0.005","9.72","0.003","90","","90","","90","","4074.5","1.9","293","2","293","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C21 H16.5 Br2 O2.25 -","- C21 H16 Br2 O2.25 -","- C168 H128 Br16 O18 -","8","1","","Zhang, Heng; Yu, Yinghua; Huang, Xueliang","Facile access to 2,2-diaryl 2H-chromenes through a palladium-catalyzed cascade reaction of ortho-vinyl bromobenzenes with N-tosylhydrazones.","Organic & biomolecular chemistry","2020","18","27","5115","5119","10.1039/d0ob00978d","","","0.71073","MoKα","","0.0829","0.0651","","","0.1948","0.214","","","","","","1.08","","","","has coordinates","255091","2020-10-21","18:00:00",""
"7200216","13.6376","0.0019","13.6376","0.0019","6.2054","0.0017","90","","90","","90","","1154.1","0.4","200","2","200","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C20 H8 Ag B F4 N4 S4 -","- C20 H8 Ag B F4 N4 S4 -","- C40 H16 Ag2 B2 F8 N8 S8 -","2","0.25","","MacKinnon, Craig D.; Parent, Shawna L. M.; Mawhinney, Robert C.; Assoud, Abdeljalil; Robertson, Craig M.","5,5′-Dicyano-2,2′-bithiophene and 3,3′-dicyanobiphenyl: off-axis rod-like ligands for silver(I)","CrystEngComm","2009","11","1","160","","10.1039/b810479d","","","0.71073","MoKα","","0.0455","0.04","","","0.0866","0.0885","","","","","","1.348","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200217","13.834","0.005","13.834","0.005","6.162","0.004","90","","90","","90","","1179.3","1","296","2","296","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C20 H8 Ag Cl N4 O4 S4 -","- C20 H8 Ag Cl N4 O4 S4 -","- C40 H16 Ag2 Cl2 N8 O8 S8 -","2","0.25","","MacKinnon, Craig D.; Parent, Shawna L. M.; Mawhinney, Robert C.; Assoud, Abdeljalil; Robertson, Craig M.","5,5′-Dicyano-2,2′-bithiophene and 3,3′-dicyanobiphenyl: off-axis rod-like ligands for silver(I)","CrystEngComm","2009","11","1","160","","10.1039/b810479d","","","0.71073","MoKα","","0.0358","0.0299","","","0.0715","0.0759","","","","","","1.342","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7201997","12.7212","0.0005","12.7212","0.0005","12.5853","0.0006","90","","90","","90","","2036.67","0.15","293","2","293","2","","","","","","","","3","P 4/n :2","-P 4a","85","t-butylcalix[4]arene","","","- C46 H56 O8 -","- C46 H56 O8 -","- C92 H112 O16 -","2","0.25","","Udachin, Konstantin A.; Moudrakovski, Igor L.; Enright, Gary D.; Ratcliffe, Christopher I.; Ripmeester, John A.","Loading-dependent structures of CO2 in the flexible molecular van der Waals host p-tert-butylcalix[4]arene with 1 : 1 and 2 : 1 guest‒host stoichiometries","Physical Chemistry Chemical Physics","2008","10","31","4636","4643","10.1039/b802035c","","","0.7107","MoKα","","0.188","0.1071","","","0.3093","0.3583","","","","","","1.124","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7204063","18.6842","0.0012","18.6842","0.0012","9.408","0.0008","90","","90","","90","","3284.3","0.4","293","2","293","2","","","","","","","","8","P 4/n :2","-P 4a","85","nicoapo-sta7","","","- C3.8 H9.9 Al2.5 Co0.5 N1.1 Ni0.25 O12.5 P3 -","- C3.8 Al2.5 Co0.5 N1.1 Ni0.25 O12.5 P3 -","- C30.4 Al20 Co4 N8.8 Ni2 O100 P24 -","8","1","","Garcia, Raquel; Philp, Eilidh F.; Slawin, Alexandra M. Z.; Wright, Paul A.; Cox, Paul A.","Nickel complexed within an azamacrocycle as a structure directing agent in the crystallization of the framework metalloaluminophosphates STA-6 and STA-7","Journal of Materials Chemistry","2001","11","5","1421","","10.1039/b009813m","","","0.71073","MoKα","","0.1563","0.0781","","0.2645","0.1917","","","","1.079","1.081","1.081","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205747","18.9721","0.0007","18.9721","0.0007","20.2105","0.0013","90","","90","","90","","7274.6","0.6","296","2","296","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C40 H167 N30 Ni4 O101 P V36 -","- C40 H137 N30 Ni4 O101 P V36 -","- C80 H274 N60 Ni8 O202 P2 V72 -","2","0.25","","Zhang, Zhibin; Xu, Yan; Zheng, Lei; Zhu, Dunru; Song, You","{[VIV14VV4O42(H2O)][Ni(C4N3H13)(C4N3H14)]4(H2O)6}4+: a novel nanosized calix-type polyoxovanadate cation","CrystEngComm","2011","13","7","2191","","10.1039/c0ce00722f","","","0.71073","MoKα","","0.0962","0.0694","","","0.2159","0.2342","","","","","","1.053","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205748","18.8231","0.0007","18.8231","0.0007","20.332","0.0015","90","","90","","90","","7203.8","0.7","196","2","196","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C40 H155 N30 Ni4 O95 P V36 -","- C40 H154 N30 Ni4 O95 P V36 -","- C80 H308 N60 Ni8 O190 P2 V72 -","2","0.25","","Zhang, Zhibin; Xu, Yan; Zheng, Lei; Zhu, Dunru; Song, You","{[VIV14VV4O42(H2O)][Ni(C4N3H13)(C4N3H14)]4(H2O)6}4+: a novel nanosized calix-type polyoxovanadate cation","CrystEngComm","2011","13","7","2191","","10.1039/c0ce00722f","","","0.71073","MoKα","","0.1037","0.0698","","","0.1932","0.2045","","","","","","1.104","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7210926","17.87","0.002","17.87","0.002","7.7402","0.0009","90","","90","","90","","2471.7","0.5","150","2","150","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C48 H52 Cu F4 N12 O14 S -","- C48 H40 Cu F4 N12 O14 S -","- C96 H80 Cu2 F8 N24 O28 S2 -","2","0.25","","Akhuli, Bidyut; Ghosh, Tamal Kanti; Ghosh, Pradyut","Effect of coordinating (‒CN) vs. non-coordinating (‒F) substituents in 3-pyridyl urea receptors toward second sphere sulfate recognition: selective crystallisation of CuSO4 from mixtures of competing anions/cations","CrystEngComm","2013","15","45","9472","","10.1039/c3ce40974k","","","0.71073","MoKα","","0.0703","0.0614","","","0.179","0.1855","","","","","","1.072","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7214025","9.8276","0.0003","9.8276","0.0003","10.2207","0.0005","90","","90","","90","","987.13","0.06","150","2","150","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C8 H7 Cs O8 -","- C8 H4 Cs O8 -","- C32 H16 Cs4 O32 -","4","0.5","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0261","0.0231","","","0.0605","0.0613","","","","","","1.155","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214191","11.0387","0.0002","11.0387","0.0002","6.6318","0.0005","90","","90","","90","","808.1","0.06","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C12 H12 B Br Cd N8 -","- C12 H12 B Br Cd N8 -","- C24 H24 B2 Br2 Cd2 N16 -","2","0.25","","Yang, E.; Wang, Lin; Zhang, Jian","A luminescent neutral cadmium(ii)‒boron(iii)‒imidazolate framework with sql net","CrystEngComm","2014","16","14","2889","","10.1039/c3ce42604a","","","0.71073","MoKα","","0.0725","0.0626","","","0.1614","0.1706","","","","","","1.049","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214539","22.2079","0.0012","22.2079","0.0012","11.9119","0.0013","90","","90","","90","","5874.8","0.8","100","2","100","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C96 H48 Cl4 Cu2 F40 N16 O12 -","- C96 H40 Cl4 Cu2 F40 N16 O12 -","- C192 H80 Cl8 Cu4 F80 N32 O24 -","2","0.25","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1122","0.0982","","","0.2629","0.2771","","","","","","1.005","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214542","17.8802","0.0014","17.8802","0.0014","8.4406","0.0009","90","","90","","90","","2698.5","0.4","298","2","298","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C48 H45 Cu N12 O15 S -","- C48 H45 Cu N12 O15 S -","- C96 H90 Cu2 N24 O30 S2 -","2","0.25","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.0847","0.0784","","","0.2371","0.2412","","","","","","1.16","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214553","16.1284","0.0002","16.1284","0.0002","5.2134","0.0001","90","","90","","90","","1356.14","0.04","298","2","298","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C24 H20 Cd Cl2 N8 O4 -","- C24 H20 Cd Cl2 N8 O4 -","- C48 H40 Cd2 Cl4 N16 O8 -","2","0.25","","Bhattacharya, Biswajit; Dey, Rajdip; Maity, Dilip Kumar; Ghoshal, Debajyoti","Formation of three new metal organic hybrids of Cd(ii) with N,N′ donor spacer: an in situ perchlorate to chloride transformation","CrystEngComm","2013","15","45","9457","","10.1039/c3ce40754c","","","0.71073","MoKα","","0.0258","0.0243","","","0.0676","0.0686","","","","","","1.068","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7217113","12.8581","0.0002","12.8581","0.0002","13.2833","0.0003","90","","90","","90","","2196.14","0.07","293","2","293","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C50 H61 F O4 -","- C50 H61 F O4 -","- C100 H122 F2 O8 -","2","0.25","","Brouwer, Eric B.; Gougeon, Regis D. M.; Hirschinger, Je´rôme; Udachin, Kostantin A.; Harris, Robin K.; Ripmeester, John A.","Intermolecular distance measurements in supramolecular solids: 13C‒19F REDOR NMR spectroscopy of p-tert-butylcalix[4]arene‒fluorobenzene","Physical Chemistry Chemical Physics","1999","1","17","4043","","10.1039/a904189c","","","0.71073","MoKα","","0.0625","0.0477","","","0.1308","0.1464","","","","","","1.021","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7218079","16.417","0.002","16.417","0.002","6.598","0.002","90","","90","","90","","1778.3","0.6","298","2","298","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C28 H40 Cu N5 O7 -","- C28 H32 Cu N5 O7 -","- C56 H64 Cu2 N10 O14 -","2","0.25","","Wu, Jian; Liu, Jian-Qiang; Jia, Zhen-Bin; Li, Qing-Lin; Li, Kai-Bang; Li, Hao; Daiguebonne, Carole; Calvez, Guillaume; Guillou, Olivier","A new 3D four-fold interpenetrateddia-like polymer: gas sorption and computational analyses","CrystEngComm","2014","16","45","10410","","10.1039/C4CE01404A","","","0.71073","MoKα","","0.1116","0.0482","","","0.0823","0.0987","","","","","","1.008","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7220433","12.8388","0.0018","12.8388","0.0018","12.6024","0.0017","90","","90","","90","","2077.3","0.5","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C46 H62 O5 -","- C46 H56 O5 -","- C92 H112 O10 -","2","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0712","0.0617","","","0.1896","0.1998","","","","","","1.156","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220434","12.7797","0.0012","12.7797","0.0012","12.7967","0.0017","90","","90","","90","","2090","0.4","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C46 H64 O6 -","- C46 H56 O6 -","- C92 H112 O12 -","2","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0548","0.0454","","","0.1216","0.1316","","","","","","1.04","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220435","12.977","0.002","12.977","0.002","12.563","0.002","90","","90","","90","","2115.6","0.6","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C49 H68 O5 -","- C49 H56 O5 -","- C98 H112 O10 -","2","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0789","0.0706","","","0.2095","0.2205","","","","","","1.044","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220437","12.8486","0.0018","12.8486","0.0018","12.6773","0.0018","90","","90","","90","","2092.9","0.5","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C47 H64 O5 -","- C47 H56 O5 -","- C94 H112 O10 -","2","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0907","0.066","","","0.1881","0.2109","","","","","","1.133","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221668","28.129","0.005","28.129","0.005","11.62","0.005","90","0.005","90","0.005","90","0.005","9194","5","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C48 H28 Er F9 N4 O6 -","- C48 H28 Er F9 N4 O6 -","- C384 H224 Er8 F72 N32 O48 -","8","1","","Sun, Qingyan; Yan, Pengfei; Niu, Wanying; chu, wenyi; Yao, Xu; An, Guanghui; Li, Guangming","NIR luminescence of a series of benzoyltrifluoroacetone erbium complexes","RSC Adv.","2015","","","","","10.1039/C5RA12954K","","","0.71069","MoKα","","0.0998","0.0517","","","0.1149","0.1328","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7225070","13.0898","0.0015","13.0898","0.0015","16.96","0.003","90","","90","","90","","2906","0.7","293","2","293","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C60 H60 B Cl F4 N8 O8 Re2 -","- C60 H60 B Cl F4 N8 O8 Re3 -","- C120 H120 B2 Cl2 F8 N16 O16 Re6 -","2","0.25","","Zhu, Xian-Dong; Li, Yong; Zhou, Wei-Xiang; Liu, Rong-Mei; Ding, Yu-Jie; Lü, Jian; Proserpio, Davide M.","Metal‒organic frameworks assembled from flexible alicyclic carboxylate and bipyridyl ligands for sensing of nitroaromatic explosives","CrystEngComm","2016","18","24","4530","","10.1039/C6CE00882H","","","0.71073","MoKα","","0.0691","0.0367","","","0.0996","0.1224","","","","","","1.315","","","","has coordinates","185223","2020-10-21","18:00:00",""
"7228063","11.86816","0.00016","11.86816","0.00016","11.6198","0.0002","90","","90","","90","","1636.69","0.04","150","","150","","","","","","","","synthesized","5","P 4/n :2","-P 4a","85","","","","- C31 H32 Cl2 N8 O4 -","- C31 H32 Cl2 N8 O4 -","- C62 H64 Cl4 N16 O8 -","2","0.25","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.0713","0.0706","","0.194","0.194","0.194","","","","","","1.0673","","","","has coordinates","196377","2020-10-21","18:00:00",""
"7228065","12.07173","0.00018","12.07173","0.00018","11.3545","0.0003","90","","90","","90","","1654.65","0.06","150","","150","","","","","","","","synthesized","5","P 4/n :2","-P 4a","85","","","","- C31 H32 Br2 N8 O4 -","- C31 H32 Br2 N8 O4 -","- C62 H64 Br4 N16 O8 -","2","0.25","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.0754","0.0735","","0.188","0.1877","0.188","","","","","","1.0299","","","","has coordinates","196377","2020-10-21","18:00:00",""
"7228636","7.944","0.0006","7.944","0.0006","6.6376","0.0009","90","","90","","90","","418.88","0.07","","","293","","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- Cs F4 Mn -","- Cs F4 Mn -","- Cs4 F16 Mn4 -","4","0.5","","Molinier, Michel; Massa, Werner","The crystal structures of the tetrafluoromanganates(III) AMnF4 (A = K, Rb, Cs)","Zeitschrift fur Naturforschung","1992","","","783","788","","","x-ray","0.71069","MoKα","","","0.0505","","","0.0439","","","","","","","","","","","has coordinates","198468","2020-10-21","18:00:00",""
"7233375","19.766","0.0014","19.766","0.0014","7.7429","0.0006","90","","90","","90","","3025.1","0.4","296","2","296","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C15 H13 N3 O4 -","- C15 H13 N3 O4 -","- C120 H104 N24 O32 -","8","1","","Shi, Taoda; Teng, Shenghan; Wei, Yajie; Guo, Xin; Hu, Wenhao","Synthesis of spiro[2,3-dihydrofuran-3,3′-oxindole] derivatives via a multi-component cascade reaction of α-diazo esters, water, isatins and malononitrile/ethyl cyanoacetate","Green Chemistry","2019","21","18","4936","","10.1039/C9GC01751H","","","0.71073","MoKα","","0.0414","0.0379","","","0.0976","0.1001","","","","","","1.036","","","","has coordinates","224631","2020-10-21","18:00:00",""
"7235759","13.635","0.005","13.635","0.005","27.026","0.005","90","","90","","90","","5024","3","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C12 H6.5 Br N6 O4 Zn2 -","- C12 H6.5 Br N6 O4 Zn2 -","- C96 H52 Br8 N48 O32 Zn16 -","8","1","","Hu, Xiao-Li; Liu, Fu-Hong; Wang, Hai-Ning; Qin, Chao; Sun, Chun-Yi; Su, Zhong-Min; Liu, Fu-Chen","Controllable synthesis of isoreticular pillared-layer MOFs: gas adsorption, iodine sorption and sensing small molecules","J. Mater. Chem. A","2014","2","36","14827","","10.1039/C4TA01749H","","","0.71073","MoKα","","0.1051","0.0855","","","0.2752","0.293","","","","","","1.165","","","","has coordinates,has disorder","233299","2020-10-21","18:00:00",""
"7238275","18.4312","0.0016","18.4312","0.0016","9.3905","0.0008","90","","90","","90","","3190","0.5","293","2","293","2","","","100","","","","","5","P 4/n :2","-P 4a","85","Ni2(2,6-ndc)2(dabco)-DUT-8(Ni)","","","- C30 H24 N2 Ni2 O8 -","- C30.08 H24.16 N2 Ni2 O8 -","- C60.16 H48.32 N4 Ni4 O16 -","2","0.25","","Klein, Nicole; Herzog, Christin; Sabo, Michal; Senkovska, Irena; Getzschmann, Jürgen; Paasch, Silvia; Lohe, Martin R.; Brunner, Eike; Kaskel, Stefan","Monitoring adsorption-induced switching by (129)Xe NMR spectroscopy in a new metal-organic framework Ni(2)(2,6-ndc)(2)(dabco).","Physical chemistry chemical physics : PCCP","2010","12","37","11778","11784","10.1039/c003835k","","","0.71073","MoKα","","0.2418","0.1546","","","0.3428","0.3858","","","","","","1.094","","","","has coordinates","244104","2020-10-21","18:00:00",""
"7239541","28.7876","0.0011","28.7876","0.0011","11.1348","0.0005","90","","90","","90","","9227.7","0.6","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C84 H48 N20 O17 Zn8 -","- C83.98 H48 N20 O16.98 Zn8 -","- C167.96 H96 N40 O33.96 Zn16 -","2","0.25","","Xu, Hui; Cai, Jianfeng; Xiang, Shengchang; Zhang, Zhangjing; Wu, Chuande; Rao, Xiangtang; Cui, Yuanjing; Yang, Yu; Krishna, Rajamani; Chen, Banglin; Qian, Guodong","A cationic microporous metal‒organic framework for highly selective separation of small hydrocarbons at room temperature","Journal of Materials Chemistry A","2013","1","34","9916","","10.1039/c3ta12086d","","","0.71073","MoKα","","0.1324","0.0816","","","0.2139","0.234","","","","","","1.074","","","","has coordinates,has disorder","244759","2020-10-21","18:00:00",""
"7240133","18.1416","0.0015","18.1416","0.0015","9.9851","0.0007","90","","90","","90","","3286.3","0.4","173","2","173","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C20 H16 B12 Cu N8 -","- C20 H16 B12 Cu N8 -","- C40 H32 B24 Cu2 N16 -","2","0.25","","Zhang, Yuanbin; Wang, Lingyao; Hu, Jianbo; Duttwyler, Simon; Cui, Xili; Xing, Huabin","Solvent dependant supramolecular self-assembly of boron cage pillared metal-organic frameworks for selective gas separation","CrystEngComm","2020","","","","","10.1039/D0CE00142B","","","0.71073","MoKα","","0.0971","0.0734","","","0.1931","0.2107","","","","","","0.983","","","","has coordinates,has disorder","249423","2020-10-21","18:00:00",""
"7242232","23.7495","0.0015","23.7495","0.0015","4.8467","0.0003","90","","90","","90","","2733.7","0.3","100","2","100","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C112 H104 N24 O24 -","8","1","","Huseynzada, Alakbar E.; Jelch, Christian; Akhundzada, Haji Vahid N.; Soudani, Sarra; Ben Nasr, Cherif; Israyilova, Aygun; Doria, Filippo; Hasanova, Ulviyya A.; Khankishiyeva, Rana F.; Freccero, Mauro","Synthesis, crystal structure and antibacterial studies of dihydropyrimidines and their regioselectively oxidized products","RSC Advances","2021","11","11","6312","6329","10.1039/D0RA10255E","","","0.71073","MoKα","","0.0663","0.0524","","","0.1147","0.1201","","","","","","1.005","","","","has coordinates","261515","2021-02-04","21:25:56",""
"7242421","13.306","0.002","13.306","0.002","19.079","0.003","90","","90","","90","","3377.9","0.9","150","2","150","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C60 H85 Li5 O18 S4 -","- C56 H77 Li5 O17 S4 -","- C112 H154 Li10 O34 S8 -","2","0.25","","Santoro, Orlando; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko; Redshaw, Carl","Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters","RSC Advances","2021","11","19","11304","11317","10.1039/D1RA00175B","","","0.71073","MoKα","","0.0941","0.0641","","","0.1721","0.1868","","","","","","1.083","","","","has coordinates","263110","2021-03-18","05:32:49",""
"7242532","24.437","0.003","24.437","0.003","7.3579","0.0008","90","","90","","90","","4393.9","0.9","296.15","","296.15","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C24 H18 F3 N3 O2 -","- C24 H18 F3 N3 O2 -","- C192 H144 F24 N24 O16 -","8","1","","Pan, Zhentao; Shi, Shuaijun; Yang, Xuancheng; Xiao, Xuqiong; Zhang, Wangqin; Wang, Shiliang; Ma, Yongmin","Eco-friendly construction of spiroquinazolin-2-(thi)ones and quinolin-(thio)ureas via Fe(iii)-catalyzed multi-component domino double [4 + 2] annulations","Green Chemistry","2021","23","8","2944","2949","10.1039/D1GC00889G","","","0.71073","MoKα","","0.1369","0.0753","","","0.2175","0.245","","","","","","1.109","","","","has coordinates,has disorder","264910","2021-05-05","08:48:44",""
"7244434","12.1325","0.0001","12.1325","0.0001","6.5653","0.0001","90","","90","","90","","966.396","0.019","100","0.1","100","0.1","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C16 H29 Bi N4 O10 -","- C16 H29 Bi N4 O10 -","- C32 H58 Bi2 N8 O20 -","2","0.25","","Chen, Catherine; Sommer, Charlotte; Thisgaard, Helge; McKee, Vickie; McKenzie, Christine J.","Facile transmetallation of [SbIII(DOTA)]− renders it unsuitable for medical applications","RSC Advances","2022","12","10","5772","5781","10.1039/D2RA00642A","","x-ray","0.71073","MoKα","","0.0116","0.0109","","","0.0233","0.0235","","","","","","1.116","","","","has coordinates,has disorder","273001","2022-02-17","02:19:43",""
"7244435","21.169","0.006","21.169","0.006","9.021","0.003","90","","90","","90","","4043","2","296","2","296.15","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C36 H32 N6 O8 Zn3 -","- C36 H32 N6 O8 Zn3 -","- C144 H128 N24 O32 Zn12 -","4","0.5","","Shao, Juan-Juan; Ni, Jianling; Liang, Yu; Li, Guang-Jun; Chen, Lizhuang; Wang, Fang-Ming","Luminescent MOFs for selective sensing of Ag+ and other ions(Fe(III) and Cr(VI))in aqueous solution","CrystEngComm","2022","","","","","10.1039/D2CE00057A","","","0.71073","MoKα","","0.07","0.0658","","","0.1629","0.1657","","","","","","1.13","","","","has coordinates","273012","2022-02-17","23:36:58",""
"7245286","13.702","0.003","13.702","0.003","11.139","0.002","90","","90","","90","","2091.3","0.7","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C24 H27 Co4 N19 O17 -","- C24 H19 Co4 N19 O17 -","- C48 H38 Co8 N38 O34 -","2","0.25","","Li, Shuai; Han, Song-De; Zhao, Jiong-Peng; Liu, Fu-Chen","Quest for extended coordination networks from highly connected azido-bridged clusters","CrystEngComm","2022","","","","","10.1039/D2CE00854H","","","0.71073","MoKα","","0.1812","0.0987","","","0.1503","0.1816","","","","","","1.163","","","","has coordinates,has disorder","277176","2022-08-09","22:28:04",""
"7245442","20.7131","0.0015","20.7131","0.0015","15.8554","0.0012","90","","90","","90","","6802.5","0.9","173","2","173","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C60 H54 Cl4 F6 N6 O13 Si Zn -","- C60 H54 Cl4 F6 N6 O13 Si Zn -","- C240 H216 Cl16 F24 N24 O52 Si4 Zn4 -","4","0.5","","Kim, Dongwon; Han, Jihun; Jung, Ok-Sang; Lee, Young-A.","Insight into systematic formation of hexafluorosilicate during crystallization via self-assembly in a glass vessel","RSC Advances","2022","12","39","25118","25122","10.1039/D2RA04270C","","","0.71073","MoKα","","0.0963","0.0633","","","0.1956","0.2327","","","","","","1.037","","","","has coordinates,has disorder","277645","2022-09-06","01:19:16",""
"7246814","12.1431","0.0006","12.1431","0.0006","8.5038","0.0005","90","","90","","90","","1253.93","0.11","298","","298","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C16 H36 Au Br4 N -","- C16 H36 Au Br4 N -","- C32 H72 Au2 Br8 N2 -","2","0.25","","Do, Jean-Louis; Auvray, Thomas; Lennox, Cameron B.; Titi, Hatem M.; Cuccia, Louis A.; Friščić, Tomislav","Rapid, room-temperature, solvent-free mechanochemical oxidation of elemental gold into organosoluble gold salts","Green Chemistry","2023","25","15","5899","5906","10.1039/D3GC01150J","","","1.54178","CuKα","","0.0819","0.0759","","","0.1804","0.1886","","","","","","1.168","","","","has coordinates,has disorder","286150","2023-09-05","19:58:51",""
"7701597","33.635","0.003","33.635","0.003","13.0634","0.0012","90","","90","","90","","14779","2","100","2","100","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C160 H408 N0 O188 Ti32 -","- C160 H331.976 O149.988 Ti32 -","- C320 H663.952 O299.976 Ti64 -","2","0.25","","Lv, Hai-Ting; Cui, Ying; Zou, Guo-Dong; Li, Na; Yang, Pei; Fan, Yang","Synthesis of titanium-oxo macrocyles and their catalytic properties for oxidative desulfurization.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14044","14048","10.1039/c9dt03057c","","","0.71073","MoKα","","0.1377","0.1297","","","0.3005","0.3048","","","","","","1.156","","","","has coordinates,has disorder","223313","2020-10-21","18:00:00",""
"7701775","27.3689","0.0009","27.3689","0.0009","12.035","0.0005","90","","90","","90","","9014.9","0.6","133","","133","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C104.2 H94.2 Mn2 N4 O14.7 -","- C104.2 H84.8 Mn2 N4 O14.7 -","- C416.8 H339.2 Mn8 N16 O58.8 -","4","0.5","","Ogawa, Rina; Suzuki, Takayoshi; Hirotsu, Masakazu; Nishi, Noriyuki; Shimizu, Yuu; Sunatsuki, Yukinari; Teki, Yoshio; Kinoshita, Isamu","Tetra- and dinuclear manganese complexes of xanthene-bridged O,N,O-Schiff bases with 3-hydroxypropyl or 2-hydroxybenzyl groups: ligand substitution at a triply bridging site.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13622","13629","10.1039/c9dt03007g","","","0.710747","MoKα","","0.0739","0.0685","","","0.1954","0.2002","","","","","","1.107","","","","has coordinates,has disorder","223356","2020-10-21","18:00:00",""
"7701974","19.2461","0.0002","19.2461","0.0002","14.4823","0.0003","90","","90","","90","","5364.42","0.14","100","0.11","100","0.11","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C88 H96 Br Cu10 N48 -","- C88 H96 Br Cu10 N48 -","- C176 H192 Br2 Cu20 N96 -","2","0.25","","Wang, Xue-Zhi; Sun, Meng-Ying; Zheng, Ji; Luo, Dong; Li, Qi; Zhou, Xiao-Ping; Li, Dan","Coordination-Driven Self-Assembly of M10L8 Metal-Organic Bi-capped Square Antiprisms with Adaptable Cavity","Dalton Transactions","2019","","","","","10.1039/C9DT04368C","","x-ray","1.54184","CuKα","","0.0761","0.0491","","","0.1195","0.131","","","","","","1.044","","","","has coordinates","231022","2020-10-21","18:00:00",""
"7701976","19.3296","0.0003","19.3296","0.0003","14.3057","0.0004","90","","90","","90","","5345.09","0.19","100","0.11","100","0.11","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C88 H96 Cl Cu10 N48 -","- C88 H96 Cl Cu10 N48 -","- C176 H192 Cl2 Cu20 N96 -","2","0.25","","Wang, Xue-Zhi; Sun, Meng-Ying; Zheng, Ji; Luo, Dong; Li, Qi; Zhou, Xiao-Ping; Li, Dan","Coordination-Driven Self-Assembly of M10L8 Metal-Organic Bi-capped Square Antiprisms with Adaptable Cavity","Dalton Transactions","2019","","","","","10.1039/C9DT04368C","","x-ray","1.54184","CuKα","","0.1277","0.0658","","","0.1606","0.1922","","","","","","1.026","","","","has coordinates","231022","2020-10-21","18:00:00",""
"7702035","15.5501","0.0002","15.5501","0.0002","9.3497","0.0002","90","","90","","90","","2260.81","0.06","123","1","123","1","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C28 H34 Cu5 I4 N4 P3 -","- C28 H34 Cu5 I4 N4 P3 -","- C56 H68 Cu10 I8 N8 P6 -","2","0.25","","Heindl, Claudia; Peresypkina, Eugenia V.; Virovets, Alexander V.; Komarov, Vladislav Yu; Scheer, Manfred","1,2,4-Triphospholyl anions - versatile building blocks for the formation of 1D, 2D and 3D assemblies.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10245","10252","10.1039/c5dt01230a","","","1.54178","CuKα","","0.0881","0.0756","","","0.2114","0.2197","","","","","","1.055","","","","has coordinates","233438","2020-10-21","18:00:00",""
"7702078","12.011","0.003","12.011","0.003","11.065","0.004","90","","90","","90","","1596.3","0.8","100","2","100","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C14 H35 Br8 N Nb2 O P4 -","- C14 H32 Br8 N Nb2 O P4 -","- C28 H64 Br16 N2 Nb4 O2 P8 -","2","0.25","","Benjamin, Sophie L.; Chang, Yao-Pang; Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Stenning, Gavin","Niobium tetrahalide complexes with neutral diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8192","8200","10.1039/c6dt01099g","","","0.71073","MoKα","","0.0198","0.0188","","","0.0486","0.049","","","","","","1.081","","","","has coordinates","234732","2020-10-21","18:00:00",""
"7702301","15.218","0.001","15.218","0.001","6.511","0.001","90","","90","","90","","1507.9","0.3","233","2","233","2","","","","","","","","5","P 4/n :2","-P 4a","85","","tetraethylammonium tetrakis(2-methylmercaptotetrazolato)aurate(III)","","- C16 H32 Au N17 S4 -","- C16 H32 Au N17 S4 -","- C32 H64 Au2 N34 S8 -","2","0.25","","Abram, Ulrich; Mack, Jürgen; Ortner, Kirstin; Müller, Martin","Reactions of dichloro[2-(dimethylaminomethyl)phenyl-C1,N ]gold(III), [Au(damp-C1,N )Cl2], with heterocyclic thiols. Evidence for Au‒N bond cleavage and protonation of the dimethylamino group","Journal of the Chemical Society, Dalton Transactions","1998","","6","1011","","10.1039/a708618k","","","1.54184","CuKa","","0.065","0.0614","","0.1789","0.1738","","","","1.194","1.195","1.195","","","","","has coordinates","243822","2020-10-21","18:00:00",""
"7703509","26.6838","0.001","26.6838","0.001","12.9979","0.0007","90","","90","","90","","9254.8","0.7","100","2","100","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C88 H224 Cl8 Cu12 N16 Na2 O115 Zn4 -","- C88 H224 Cl8 Cu12 N16 Na2 O115 Zn4 -","- C176 H448 Cl16 Cu24 N32 Na4 O230 Zn8 -","2","0.25","","Iman, Khushboo; Shahid, M.; Ahmad, Musheer","A novel self-assembled Na{Cu<sub>12</sub>Zn<sub>4</sub>} multifunctional material: first report of a discrete coordination compound for detection of Ca<sup>2+</sup> ions and selective adsorption of cationic dyes in water.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3423","3433","10.1039/c9dt04461b","","","0.71073","MoKα","","0.0847","0.0599","","","0.1703","0.2098","","","","","","1.1326","","","","has coordinates","250298","2020-10-21","18:00:00",""
"7705617","17.554","0.003","17.554","0.003","18.597","0.004","90","","90","","90","","5730.5","1.9","173","2","173","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C80 H144 F12 N8 O8 Pd2 S8 Si10 -","- C80 H144 F12 N8 O8 Pd2 S8 Si10 -","- C160 H288 F24 N16 O16 Pd4 S16 Si20 -","2","0.25","","Lee, Jeyeong; Lim, Sangwoo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Flexibility and anion exchange of [(X)@Pd<sub>2</sub>L<sub>4</sub>] cages for recognition of size and charge of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15002","15008","10.1039/d0dt03005h","","","0.71073","MoKα","","0.0821","0.0536","","","0.1341","0.1646","","","","","","1.076","","","","has coordinates","258803","2020-11-06","12:02:03",""
"7706577","25.1212","0.0006","25.1212","0.0006","12.0964","0.0006","90","","90","","90","","7633.7","0.5","100","2","100","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C48 H88 Cl17 N16 Sb3 -","- C48 H88 Cl17 N16 Sb3 -","- C192 H352 Cl68 N64 Sb12 -","4","0.5","","Zhang, Zhi-Zhuan; Jin, Jian-Ce; Gong, Liao-Kuo; Lin, Yang-Peng; Du, Ke-Zhao; Huang, Xiao-Ying","Co-luminescence in a zero-dimensional organic-inorganic hybrid antimony halide with multiple coordination units.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3586","3592","10.1039/d0dt04388e","","","0.71073","MoKα","","0.0661","0.037","","","0.07","0.0853","","","","","","1.037","","","","has coordinates,has disorder","263752","2021-04-05","14:46:50",""
"7706609","17.60897","0.00013","17.60897","0.00013","13.59834","0.00015","90","","90","","90","","4216.52","0.06","99.98","0.16","99.98","0.16","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C74 H111 Ce N11 O19 P4 -","- C70 H99 Ce N9 O16 P4 -","- C140 H198 Ce2 N18 O32 P8 -","2","0.25","","Zhang, Jianfeng; Wenzel, Marco; Schnaars, Kathleen; Hennersdorf, Felix; Schwedtmann, Kai; März, Juliane; Rossberg, André; Kaden, Peter; Kraus, Florian; Stumpf, Thorsten; Weigand, Jan J.","Coordination of trivalent lanthanum and cerium, and tetravalent cerium and actinides (An = Th(IV), U(IV), Np(IV)) by a 4-phosphoryl 1<i>H</i>-pyrazol-5-olate ligand in solution and the solid state.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3550","3558","10.1039/d1dt00365h","","","1.54184","CuKα","","0.0244","0.024","","","0.0637","0.064","","","","","","1.075","","","","has coordinates,has disorder","263741","2021-04-05","14:43:02",""
"7706610","17.6843","0.0001","17.6843","0.0001","13.769","0.0002","90","","90","","90","","4306.04","0.07","100.01","0.1","100.01","0.1","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C74 H111 N11 O19 P4 U -","- C74 H111 N11 O19 P4 U -","- C148 H222 N22 O38 P8 U2 -","2","0.25","","Zhang, Jianfeng; Wenzel, Marco; Schnaars, Kathleen; Hennersdorf, Felix; Schwedtmann, Kai; März, Juliane; Rossberg, André; Kaden, Peter; Kraus, Florian; Stumpf, Thorsten; Weigand, Jan J.","Coordination of trivalent lanthanum and cerium, and tetravalent cerium and actinides (An = Th(IV), U(IV), Np(IV)) by a 4-phosphoryl 1<i>H</i>-pyrazol-5-olate ligand in solution and the solid state.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3550","3558","10.1039/d1dt00365h","","x-ray","1.54184","CuKα","","0.0355","0.0343","","","0.0917","0.0928","","","","","","1.137","","","","has coordinates,has disorder","263741","2021-04-05","14:43:03",""
"7706611","17.74494","0.00004","17.74494","0.00004","13.70378","0.00006","90","","90","","90","","4315.09","0.02","100","0.5","100","0.5","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C74 H111 N11 O19 P4 Th -","- C74 H111 N11 O19 P4 Th -","- C148 H222 N22 O38 P8 Th2 -","2","0.25","","Zhang, Jianfeng; Wenzel, Marco; Schnaars, Kathleen; Hennersdorf, Felix; Schwedtmann, Kai; März, Juliane; Rossberg, André; Kaden, Peter; Kraus, Florian; Stumpf, Thorsten; Weigand, Jan J.","Coordination of trivalent lanthanum and cerium, and tetravalent cerium and actinides (An = Th(IV), U(IV), Np(IV)) by a 4-phosphoryl 1<i>H</i>-pyrazol-5-olate ligand in solution and the solid state.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3550","3558","10.1039/d1dt00365h","","x-ray","1.54184","CuKα","","0.0192","0.0188","","","0.0479","0.0483","","","","","","1.087","","","","has coordinates,has disorder","263741","2021-04-05","14:43:03",""
"7706612","17.80376","0.00005","17.80376","0.00005","13.75097","0.00007","90","","90","","90","","4358.7","0.03","100","0.3","100","0.3","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C74 H112 La N11 O19 P4 -","- C74 H112 La N11 O19 P4 -","- C148 H224 La2 N22 O38 P8 -","2","0.25","","Zhang, Jianfeng; Wenzel, Marco; Schnaars, Kathleen; Hennersdorf, Felix; Schwedtmann, Kai; März, Juliane; Rossberg, André; Kaden, Peter; Kraus, Florian; Stumpf, Thorsten; Weigand, Jan J.","Coordination of trivalent lanthanum and cerium, and tetravalent cerium and actinides (An = Th(IV), U(IV), Np(IV)) by a 4-phosphoryl 1<i>H</i>-pyrazol-5-olate ligand in solution and the solid state.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3550","3558","10.1039/d1dt00365h","","x-ray","1.54184","CuKα","","0.0197","0.0196","","","0.0526","0.0527","","","","","","1.079","","","","has coordinates,has disorder","263741","2021-04-05","14:43:03",""
"7706613","17.6551","0.0007","17.6551","0.0007","13.7559","0.0006","90","","90","","90","","4287.7","0.3","100","2","100","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C74 H111 N11 Np O19 P4 -","- C74 H111 N11 Np O19 P4 -","- C148 H222 N22 Np2 O38 P8 -","2","0.25","","Zhang, Jianfeng; Wenzel, Marco; Schnaars, Kathleen; Hennersdorf, Felix; Schwedtmann, Kai; März, Juliane; Rossberg, André; Kaden, Peter; Kraus, Florian; Stumpf, Thorsten; Weigand, Jan J.","Coordination of trivalent lanthanum and cerium, and tetravalent cerium and actinides (An = Th(IV), U(IV), Np(IV)) by a 4-phosphoryl 1<i>H</i>-pyrazol-5-olate ligand in solution and the solid state.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3550","3558","10.1039/d1dt00365h","","","0.71073","MoKα","","0.0161","0.0152","","","0.0388","0.0394","","","","","","1.124","","","","has coordinates,has disorder","263741","2021-04-05","14:43:03",""
"7708389","11.9557","0.0003","11.9557","0.0003","7.962","0.0004","90","","90","","90","","1138.08","0.07","293","","293","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- Cl9 O4 Pb8 Rb -","- Cl9 O4 Pb8 Rb -","- Cl18 O8 Pb16 Rb2 -","2","0.25","","Fan, Zhongxu; Bai, Chen; Shi, Hongsheng; Zhang, Min; Zhang, Bei; Zhang, Jun; Li, Junjie","RbPb<sub>8</sub>O<sub>4</sub>Cl<sub>9</sub>: the first alkali metal lead oxyhalide with distorted [PbO<sub>3</sub>Cl<sub>3</sub>] and [PbOCl<sub>5</sub>] mixed-anion groups.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02665h","","","0.71073","MoKα","","0.0381","0.0325","","","0.0756","0.0825","","","","","","1.096","","","","has coordinates,has disorder","269270","2021-09-23","23:09:03",""
"7709861","20.8015","0.0005","20.8015","0.0005","9.7315","0.0002","90","","90","","90","","4210.84","0.17","150","","150","","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C24 H48 B4 N12 Ni O16 S -","- C24 H48 B4 N12 Ni O16 S -","- C96 H192 B16 N48 Ni4 O64 S4 -","4","0.5","","Xin, Shu-Sheng; Deng, Yan-Ling; Pan, Chun-Yang","The crystal structure and oxygen reduction reaction of Ni(ii)-complex templated borate-sulfate and borate","Dalton Transactions","2022","","","","","10.1039/D2DT00213B","","","0.71073","MoKα","","0.052","0.037","","","0.0969","0.1093","","","","","","1.028","","","","has coordinates,has disorder","274144","2022-03-30","23:09:14",""
"7711221","29.925","0.0006","29.925","0.0006","11.2727","0.0003","90","","90","","90","","10094.8","0.4","200","2","200","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C176 H176 Co16 N16 O64 -","- C144 H128 Co16 O64 -","- C288 H256 Co32 O128 -","2","0.25","","Brechin, Euan K.; Tsami, Pinelopi A.; Tziotzi, Thomais G.; Tsanai, Angelos B.; Singh, Mukesh; Dalgarno, Scott; Milios, Constantinos J.","A ferromagnetically coupled pseudo-calixarene [Co16] wheel that self-assembles as a tubular network of capsules","Dalton Transactions","2022","","","","","10.1039/D2DT02554J","","","1.54178","CuKα","","0.0594","0.0436","","","0.1185","0.126","","","","","","1.046","","","","has coordinates,has disorder","277756","2022-09-09","22:42:26",""
"7712387","19.7197","0.001","19.7197","0.001","10.9727","0.0006","90","","90","","90","","4266.9","0.4","150","","150","","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C32 H96 Cl La N4 O44 S12 V12 -","- C32 H96 Cl La N4 O44 S12 V12 -","- C64 H192 Cl2 La2 N8 O88 S24 V24 -","2","0.25","","Repp, Stefan; Junginger, Kim; Sorsche, Dieter; Zorn, Theresa; Poppler, Ann-Christin; Kikukawa, Yuji; Hayashi, Yoshihito; Streb, Carsten","Mechanistic insights into template-driven polyoxovanadate self-assembly: the role of internal and external templates","Dalton Transactions","2023","","","","","10.1039/D3DT00252G","","","0.71073","MoKα","","0.0353","0.0308","","","0.0694","0.0723","","","","","","1.078","","","","has coordinates,has disorder","281120","2023-02-24","08:43:28",""
"7712388","19.7295","0.0007","19.7295","0.0007","10.9901","0.0005","90","","90","","90","","4277.9","0.3","150","","150","","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C32 H96 Br La N4 O44 S12 V12 -","- C32 H96 Br La N4 O44 S12 V12 -","- C64 H192 Br2 La2 N8 O88 S24 V24 -","2","0.25","","Repp, Stefan; Junginger, Kim; Sorsche, Dieter; Zorn, Theresa; Poppler, Ann-Christin; Kikukawa, Yuji; Hayashi, Yoshihito; Streb, Carsten","Mechanistic insights into template-driven polyoxovanadate self-assembly: the role of internal and external templates","Dalton Transactions","2023","","","","","10.1039/D3DT00252G","","","0.71073","MoKα","","0.0488","0.0467","","","0.1329","0.135","","","","","","1.09","","","","has coordinates,has disorder","281120","2023-02-24","08:43:38",""
"8100696","13.095","0.002","13.095","0.002","7.78","0.002","90","","90","","90","","1334.1","0.4","299","1","299","1","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C24 H20 Cl6 P Sb -","- C24 H20 Cl6 P Sb -","- C48 H40 Cl12 P2 Sb2 -","2","0.25","","Czado, Wolfgang; Müller, Ulrich","Crystal structure of tetraphenylphosphonium hexachloroantimonate(V), P(C~6~H~5~)~4~SbCl~6~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","3","335","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103010","9.8618","0.0012","9.8618","0.0012","8.838","0.002","90","","90","","90","","859.5","0.2","296","2","296","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- O5 Sb5 Tb9 -","- O5 Sb5 Tb9 -","- O10 Sb10 Tb18 -","2","0.25","","Jürgen Nuss; Martin Jansen","Crystal structure of terbium antimonide oxide, Tb9Sb5O5","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","1","11","","","","x-ray","0.71073","MoKα","","0.0528","0.0297","","","0.0441","0.049","","","","","","0.991","","","","has coordinates","176728","2020-10-21","18:00:00",""
"9001038","15.504","","15.504","","11.808","","90","","90","","90","","2838.34","","","","","","","","","","","","","7","P 4/n :2","-P 4a","85","","","Vesuvianite","- Al13.338 Ca18.94 H7 Mg0.372 Mn0.06 O78 Si17.49 -","- Al13.338 Ca18.94 H9 Mg0.372 Mn0.06 O78 Si17.49 -","- Al26.676 Ca37.88 H18 Mg0.744 Mn0.12 O156 Si34.98 -","2","0.25","","Fitzgerald S; Rheingold A L; Leavens P B","Crystal structure of a non-P4/nnc vesuvianite from Asbestos, Quebec","American Mineralogist","1986","71","","1483","1488","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9001070","15.799","","15.799","","11.917","","90","","90","","90","","2974.58","","","","","","","","","","","","","8","P 4/n :2","-P 4a","85","","","Vesuvianite","- Al2 Ca7.9 Ce1.86 Fe3 H0.75 Mg2 O39 Si9 -","- Al2 Ca7.9 Ce1.86 Fe3 H Mg2 O39 Si9 -","- Al8 Ca31.6 Ce7.44 Fe12 H4 Mg8 O156 Si36 -","4","0.5","","Fitzgerald S; Leavens P B; Rheingold A L; Nelen J A","Crystal structure of a REE-bearing vesuvianite from San Benito County, California","American Mineralogist","1987","72","","625","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9001255","20.192","","20.192","","3.281","","90","","90","","90","","1337.72","","","","","","","","","","","","","7","P 4/n :2","-P 4a","85","","","Wiserite","- B8 Cl0.8 H8 Mg0.5 Mn14 O32 Si0.5 -","- B8 Cl0.8 H8 Mg0.5 Mn14 O32 Si0.5 -","- B16 Cl1.6 H16 Mg Mn28 O64 Si -","2","0.25","","Pertlik, F.; Dunn, P. J.","Crystal structure of wiserite","American Mineralogist","1989","74","","1351","1354","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9002336","15.531","","15.531","","11.817","","90","","90","","90","","2850.4","","","","","","","","","","","","","7","P 4/n :2","-P 4a","85","","","Vesuvianite","- Al5 Ca9.88 Fe H4 Mg O39 Si9 -","- Al5 Ca9.88 Fe H4 Mg O39 Si9 -","- Al20 Ca39.52 Fe4 H16 Mg4 O156 Si36 -","4","0.5","","Armbruster, T.; Gnos, E.","P4/n and P4nc long-ranged ordering in low-temperature vesuvianites Sample: from Asbestos Quebec, Canada","American Mineralogist","2000","85","","563","569","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002337","15.571","","15.571","","11.789","","90","","90","","90","","2858.31","","","","","","","","","","","","","6","P 4/n :2","-P 4a","85","","","Vesuvianite","- Al4.74 B0.24 Ca9.5 Mn1.76 O39.2 Si8.67 -","- Al4.74 B0.24 Ca9.5 Mn1.76 O39.2 Si8.67 -","- Al18.96 B0.96 Ca38 Mn7.04 O156.8 Si34.68 -","4","0.5","","Armbruster, T.; Gnos, E.","Tetrahedral vacancies and cation ordering in low-temperature Mn-bearing vesuvianites: Indication of a hydrogarnet-like substitution Sample: NC14-2","American Mineralogist","2000","85","","570","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:58",""
"9004477","15.532","","15.532","","11.821","","90","","90","","90","","2851.73","","","","","","","","","","","","","7","P 4/n :2","-P 4a","85","","","Vesuvianite","- Al9.92 Ca19 Fe1.16 H11 Mg1.92 O78 Si18 -","- Al9.92 Ca19 Fe1.16 H11 Mg1.92 O78 Si18 -","- Al19.84 Ca38 Fe2.32 H22 Mg3.84 O156 Si36 -","2","0.25","","Pavese, A.; Prencipe, M.; Tribaudino, M.","X-ray and neutron single-crystal study of P4/n vesuvianite Sample: neutron","The Canadian Mineralogist","1998","36","","1029","1037","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004478","15.532","","15.532","","11.821","","90","","90","","90","","2851.73","","","","","","","","","","","","","7","P 4/n :2","-P 4a","85","","","Vesuvianite","- Al4.96 Ca9.5 Fe0.58 H5 Mg0.96 O39 Si9 -","- Al4.96 Ca9.5 Fe0.58 H5 Mg0.96 O39 Si9 -","- Al19.84 Ca38 Fe2.32 H20 Mg3.84 O156 Si36 -","4","0.5","","Pavese, A.; Prencipe, M.; Tribaudino, M.","X-ray and neutron single-crystal study of P4/n vesuvianite Sample: X-ray","The Canadian Mineralogist","1998","36","","1029","1037","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9004739","6.9756","","6.9756","","17.349","","90","","90","","90","","844.185","","","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","","Metatorbernite","- Cu0.883 H16 O20 P2 U2 -","- Cu0.883 H16 O20 P2 U2 -","- Cu1.766 H32 O40 P4 U4 -","2","0.25","","Locock, A. J.; Burns, P. C.","Crystal structures and synthesis of the copper-dominant members of the autunite and meta-autunite groups: Torbernite, zeunerite, metatorbernite and metazeunerite","The Canadian Mineralogist","2003","41","","489","502","10.2113/gscanmin.41.2.489","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004740","7.1094","","7.1094","","17.416","","90","","90","","90","","880.267","","","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","","Metazeunerite","- As2 Cu H16 O20 U2 -","- As2 Cu H16 O20 U2 -","- As4 Cu2 H32 O40 U4 -","2","0.25","","Locock, A. J.; Burns, P. C.","Crystal structures and synthesis of the copper-dominant members of the autunite and meta-autunite groups: Torbernite, zeunerite, metatorbernite and metazeunerite","The Canadian Mineralogist","2003","41","","489","502","10.2113/gscanmin.41.2.489","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004850","6.9555","","6.9555","","9.1389","","90","","90","","90","","442.131","","","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- H8 Li O10 P U -","- H8 Li O10 P U -","- H16 Li2 O20 P2 U2 -","2","0.25","","Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M.","Monovalent cations in structures of the meta-autunite group Sample: LiUP","The Canadian Mineralogist","2004","42","","973","996","10.2113/gscanmin.42.4.973","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004855","7.1904","","7.1904","","17.643","","90","","90","","90","","912.176","","","","","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- As O9 Rb U -","- As O9 Rb U -","- As4 O36 Rb4 U4 -","4","0.5","","Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M.","Monovalent cations in structures of the meta-autunite group Sample: RbUAs","The Canadian Mineralogist","2004","42","","973","996","10.2113/gscanmin.42.4.973","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005162","7.715","","7.715","","3.648","","90","","90","","90","","217.133","","","","","","","","","","","","Cetine mine, Tuscany, Italy","4","P 4/n :2","-P 4a","85","","","Rosenbergite","- Al F3 H6 O3 -","- Al F3 H6 O3 -","- Al2 F6 H12 O6 -","2","0.25","","Olmi, F.; Sabelli, C.; Trosti-Ferroni R","Rosenbergite, AlF[F0.5(H2O)0.5}4.H2O, a new mineral from the Cetine mine (Tuscany, Italy): description and crystal structure","European Journal of Mineralogy","1993","5","","1167","1174","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9009523","15.575","","15.575","","11.824","","90","","90","","90","","2868.27","","","","","","","","","","","","Kalahari manganese fields, South Africa","6","P 4/n :2","-P 4a","85","","","Manganvesuvianite","- Al5.15 Ca9.5 H4 Mn1.35 O39 Si9 -","- Al5.15 Ca9.5 Mn1.35 O39 Si9 -","- Al20.6 Ca38 Mn5.4 O156 Si36 -","4","0.5","","Armbruster, T.; Gnos, E.; Dixon, R.; Gutzmer, J.; Hejny, C.; Dobelin, N.; Medenbach, O.","Manganvesuvianite and tweddillite, two new Mn3±silicate minerals from the Kalahari manganese fields, South Africa","Mineralogical Magazine","2002","66","","137","150","10.1180/0026461026610018","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9011814","18.451","","18.451","","4.952","","90","","90","","90","","1685.86","","","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","","Piypite","- Cl Cu4.37 Na4.26 O18 S4 -","- Cl Cu4.37 Na4.26 O18 S4 -","- Cl4 Cu17.48 Na17.04 O72 S16 -","4","0.5","","Kahlenberg, V.; Piotrowski, A.; Giester, G.","Crystal structure of Na4[Cu4O2(SO4)4]*MeCl (Me: Na, Cu, vac) - the synthetic Na-analogue of piypite (caratiite) Locality; synthetic","Mineralogical Magazine","2000","64","","1099","1108","10.1180/002646100549913","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9014585","6.9551","","6.9551","","16.6604","","90","","90","","90","","805.92","","","","","","","","","","","","Bois Noirs, France","5","P 4/n :2","-P 4a","85","","","Metatorbernite","- Cu0.881 H12.248 O18.124 P2 U2 -","- Cu0.881 H12.248 O18.124 P2 U2 -","- Cu1.762 H24.496 O36.248 P4 U4 -","2","0.25","","Stubbs, J. E.; Post, J. E.; Elbert, D. C.; Heaney, P. J.; Veblen, D. R.","Uranyl phosphate sheet reconstruction during dehydration of metatorbernite [Cu(UO2)2(PO4)2*8H2O] Note: This is the 8.3 Angstrom phase while heating at 129 C","American Mineralogist","2010","95","","1132","1140","10.2138/am.2010.3439","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015844","6.96519","","6.96519","","17.3102","","90","","90","","90","","839.785","","","","","","","","","","","","Bois Noirs, France","5","P 4/n :2","-P 4a","85","","","Metatorbernite","- Cu H16 O20 P2 U2 -","- Cu H16 O20 P2 U2 -","- Cu2 H32 O40 P4 U4 -","2","0.25","","Stubbs, J. E.; Post, J. E.; Elbert, D. C.; Heaney, P. J.; Veblen, D. R.","Uranyl phosphate sheet reconstruction during dehydration of metatorbernite [Cu(UO2)2(PO4)2*8H2O] Note: This is the 8.7 Angstrom phase while heating at 31.5 C","American Mineralogist","2010","95","","1132","1140","10.2138/am.2010.3439","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9017245","9.86","","9.86","","9.7","","90","","90","","90","","943.03","","","","100","","","","","","","","El Dragon mine, Potosi Department, Bolivia","7","P 4/n :2","-P 4a","85","","","Favreauite","- Bi0.9 Ca0.17 Cu5.81 H3 O18 Pb0.95 Se4 -","- Bi0.9 Ca0.17 Cu5.8098 H3 O18 Pb0.95 Se4 -","- Bi1.8 Ca0.34 Cu11.6196 H6 O36 Pb1.9 Se8 -","2","0.25","","Mills, S. J.; Kampf, A. R.; Christy, A. G.; Housley, R. M.; Thorne, B.; Chen, Y. S.; Steele, I. M.","Favreauite, a new selenite mineral from the El Dragon mine, Bolivia Note: T = 100 K","European Journal of Mineralogy","2014","26","","771","781","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""