Crystallography Open Database

Result: there are 769 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching space group like 'P a -3'

Left arrow Left arrow First | Left arrow Previous 500 | of 2 | Next 500 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Up arrow Links Formula Blue up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
4027818 CIFAg2 As4 Hg7 I6P a -313.1075; 13.1075; 13.1075
90; 90; 90		2251.95Olenev, A.V.; Vorontsov, I.I.; Baranov, A.I.; Antipin, M.Yu.; Shevelkov, A.V.; Oleneva, O.S.
Synthesis, Crystal and Electronic Structure of [Hg7 As4] (Ag I3)2, a Novel Supramolecular Complex with the Off-plane (AgI3)2(2-) Guest Anion.
European Journal of Inorganic Chemistry, 2003, 2003, 1053-1057
1509644 CIFAg2 B12 Cl12P a -312.3832; 12.3832; 12.3832
90; 90; 90		1898.89Schleid, T.; Tiritiris, I.
The crystal structure of solvent-free silver dodecachloro-closo-dodecaborate Ag2 (B12 Cl12) from aqueous solution
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2003, 629, 581-583
7015143 CIFAg2 F60 O16 S2 Sb2 Se6 Te12P a -319.1532; 19.1532; 19.1532
90; 90; 90		7026.26Aris, Damian; Beck, Johannes; Decken, Andreas; Dionne, Isabelle; Schmedt Auf der Günne, Jörn; Hoffbauer, Wilfried; Köchner, Tobias; Krossing, Ingo; Passmore, Jack; Rivard, Eric; Steden, Folker; Wang, Xinping
Metastable Se(6) as a ligand for Ag(+): from isolated molecular to polymeric 1D and 2D structures.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 5865-5880
2105369 CIFAg4 N2 O6 TeP a -38.173; 8.173; 8.173
90; 90; 90		545.939Schultze-Rhonhof, E.
Die Kristallstruktur von alpha-Tetrasilbertelluriddinitrat
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2837-2840
1010530 CIFAl Cs H24 O20 S2P a -312.333; 12.333; 12.333
90; 90; 90		1875.9Lipson, H; Beevers, C A
The Crystal Structure of the Alums
Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-), 1934, 148, 664-680
2310368 CIFAl Cs H24 O20 S2P a -312.352; 12.352; 12.352
90; 90; 90		1884.57Cromer, D.T.; Kay, M.I.; Larson, A.C.
Refinement of the alum structures. I. X-ray and neutron diffraction study of Cs Al (S O4)2 * (H2 O)12, a beta Alum
Acta Crystallographica (1,1948-23,1967), 1966, 21, 383-389
2310370 CIFAl D28 N O20 S2P a -312.243; 12.243; 12.243
90; 90; 90		1835.12Cromer, D.T.; Kay, M.I.
Refinement of the alum structures IV. Neutron diffraction study of deuterated ammonium alum, N D4 Al (S O4)2 (D2 O)12, an alpha-Alum
Acta Crystallographica (1,1948-23,1967), 1967, 22, 800-805
1526711 CIFAl F6 H18 N6 RuP a -39.9872; 9.9872; 9.9872
90; 90; 90		996.165Subramanian, M.A.; Harlow, R.H.; Rao, V.N.M.
New (Ru (N H3)6) M F6 phases: precursors to catalysts for halogenation reactions
Materials Research Bulletin, 2000, 35, 1587-1592
1000299 CIFAl F6 H6 K O2P a -38.6472; 8.6472; 8.6472
90; 90; 90		646.6Rousseau, J J; Boulard, B; Duroy, H; Fourquet, J L
K(H~3~O)~2~AlF~6~: ESR, infrared and Raman spectroscopy studies
European Journal of Solid State Inorganic Chemistry, 1990, 27, 913-924
9007739 CIFAl F6 H6 K O2P a -38.6464; 8.6464; 8.6464
90; 90; 90		646.407Frenzen, G.; Massa, W.
Kalium-dioxonium-hexafluoroaluminat
Acta Crystallographica, Section C, 1990, 46, 190-192
1011068 CIFAl F6 K2 NaP a -38.09; 8.09; 8.09
90; 90; 90		529.5Menzer, G
Ueber die Kristallstrukturen der Kryolithgruppe
Fortschritte der Mineralogie, 1932, 17, 61-61
1011177 CIFAl H24 K O20 S2P a -312.18; 12.18; 12.18
90; 90; 90		1806.9Beevers, C A; Lipson, H
Crystal structure of the alums
Nature (London), 1934, 134, 327-327
1011209 CIFAl H24 K O20 S2P a -312.157; 12.157; 12.157
90; 90; 90		1796.7Lipson, H; Beevers, C A
The crystal structure of the alums
Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-), 1934, 148, 664-680
2102034 CIF
Paper		Al H24 K O20 S2P a -312.135; 12.135; 12.135
90; 90; 90		1786.98Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M.
Structure of the alums. I. On the sulfate group disorder in the α-alums
Acta Crystallographica Section B, 2000, 56, 204-209
2102035 CIF
Paper		Al H24 K O20 S2P a -312.164; 12.164; 12.164
90; 90; 90		1799.82Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M.
Structure of the alums. I. On the sulfate group disorder in the α-alums
Acta Crystallographica Section B, 2000, 56, 204-209
1010533 CIFAl H24 K O20 Se2P a -312.351; 12.351; 12.351
90; 90; 90		1884.1Lipson, H; Beevers, C A
The Crystal Structure of the Alums
Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-), 1934, 148, 664-680
9014255 CIFAl H24 K1.3 O20 S2P a -312.157; 12.157; 12.157
90; 90; 90		1796.71Larson, A. C.; Cromer, D. T.
Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O
Acta Crystallographica, 1967, 22, 793-800
9017362 CIFAl H24 N O12 Os8 S2P a -312.242; 12.242; 12.242
90; 90; 90		1834.67Abdeen, A. M.; Will, G.; Schaefer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A.
X-ray and neutron diffraction study of alums II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Sample: X-ray data
Zeitschrift fur Kristallographie, 1981, 157, 147-166
9016346 CIFAl H24 N O20 S2P a -312.24; 12.24; 12.24
90; 90; 90		1833.77Larson, A. C.; Cromer, D. T.
Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O
Acta Crystallographica, 1967, 22, 793-800
9011064 CIFAl H24 Na O20 S2P a -312.213; 12.213; 12.213
90; 90; 90		1821.66Cromer, D. T.; Kay, M. I.; Larson, A. C.
Refinement of the alum structures. II. X-ray and neutron diffraction of NaAl(SO4)2*12H2O, gamma alum Locality: synthetic
Acta Crystallographica, 1967, 22, 182-187
9014781 CIFAl H24 O20 Rb S2P a -312.243; 12.243; 12.243
90; 90; 90		1835.12Larson, A. C.; Cromer, D. T.
Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O
Acta Crystallographica, 1967, 22, 793-800
1010531 CIFAl H24 O20 S2 TlP a -312.207; 12.207; 12.207
90; 90; 90		1819Lipson, H; Beevers, C A
The Crystal Structure of the Alums
Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-), 1934, 148, 664-680
2102036 CIF
Paper		Al H24 O20 S2 TlP a -312.207; 12.207; 12.207
90; 90; 90		1818.98Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M.
Structure of the alums. I. On the sulfate group disorder in the α-alums
Acta Crystallographica Section B, 2000, 56, 204-209
2102037 CIF
Paper		Al H24 O20 S2 TlP a -312.2305; 12.2305; 12.2305
90; 90; 90		1829.5Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M.
Structure of the alums. I. On the sulfate group disorder in the α-alums
Acta Crystallographica Section B, 2000, 56, 204-209
8105475 CIFAl H27 O21 S2P a -312.2403; 12.2403; 12.2403
90; 90; 90		1833.9Liu, Yan; Hao, Min; Gao, Jianfeng; Liu, Jianghui; Cui, Juan
The crystal structure of oxonium hexaquaaluminium disulfate hexahydrate
Zeitschrift für Kristallographie - New Crystal Structures, 2020, 235, 1393-1394
1010528 CIFAl H28 N O20 S2P a -312.215; 12.215; 12.215
90; 90; 90		1822.6Lipson, H; Beevers, C A
The Crystal Structure of the Alums
Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-), 1934, 148, 664-680
9008299 CIFAl H28 N O20 S2P a -312.248; 12.248; 12.248
90; 90; 90		1837.36Abdeen, A. M.; Will, G.; Schafer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A.
X-ray and neutron diffraction study of alums: II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Note: Neutron data
Zeitschrift fur Kristallographie, 1981, 157, 147-166
9011444 CIFAl H28 N O20 S2P a -312.242; 12.242; 12.242
90; 90; 90		1834.67Abdeen, A. M.; Will, G.; Schaefer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A.
X-ray and neutron diffraction study of alums II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Locality: synthetic Sample: X-ray data
Zeitschrift fur Kristallographie, 1981, 157, 147-166
8103519 CIFAl H28 N O21 S2P a -312.328; 12.328; 12.328
90; 90; 90		1873.6Abdeen, A.M.; Weiss, A.; Will, G.
Neutron diffraction study of alums. I. The crystal structure of hydroxylammonium aluminium alum
Zeitschrift fuer Kristallographie (149,1979-), 1981, 154, 45-57
1521355 CIFAl0.72 Ga1.28 O6 Sr3P a -316.0195; 16.0195; 16.0195
90; 90; 90		4110.99Kahlenberg, V.
Sr3 (Al0.36 Ga0.64)2 O6 - a new strontium aluminium gallate
Crystal Research and Technology, 2000, 35, 1279-1287
9017147 CIFAl0.877 Fe0.123 H24 K0.879 O20 S2 Tl0.121P a -312.203; 12.203; 12.203
90; 90; 90		1817.19Biagioni, C.; Mauro, D.; Pasero, M.; Bonaccorsi, E.; Lepore, G. O.; Zaccarini, F.; Skogby, H.
Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy). VI. Tl-bearing alum-(K) and voltaite from the Fornovolasco mining complex
American Mineralogist, 2020, 105, 1088-1098
1532122 CIFAl0.95 Cr0.05 H24 K O20 S2P a -312.165; 12.165; 12.165
90; 90; 90		1800.27Rozhdestvenskaya, I.V.; Frank-Kamenetskaya, O.V.; Bannova, I.I.; Shtukenberg, A.G.
Triclinic structure of birefringent crystals of K (Al0.95 Cr0.05) (S O4)2 * 12(H2 O)
Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 2001, 42, 753-765
2002559 CIFAl1.5 O5 Sc0.5 Sr2P a -37.9078; 7.9078; 7.9078
90; 90; 90		494.5Rath, M; Mueller-Buschbaum, Hk
Ein Beitrag zur Kristallstruktur von Ba2 Sc Al O5 und Sr2 Sc0.5 Al1.5 O5
Journal of Alloys Compd., 1992, 189, 127-130
2000991 CIF
Paper		Al2 O6 Sr3P a -315.8556; 15.8556; 15.8556
90; 90; 90		3986.1Chakoumakos, B. C.; Lager, G. A.; Fernandez-Baca, J. A.
Refinement of the structures of Sr~3~Al~2~O~6~ and the hydrogarnet Sr~3~Al~2~(O~4~D~4~)~3~ by Rietveld analysis of neutron powder diffraction data
Acta Crystallographica Section C, 1992, 48, 414-419
9009705 CIFAl2.05 Ca1.42 F1.6 Fe1.08 H1.12 Li0.54 Mg0.06 Mn3.54 Na1.02 O24.4 P5.82P a -312.205; 12.205; 12.205
90; 90; 90		1818.08Rinaldi, R.
The crystal structure of griphite, a complex phosphate, not a garnetoid
Bulletin de Mineralogie, 1978, 101, 543-547
1000039 CIFAl6 Ca9 O18P a -315.263; 15.263; 15.263
90; 90; 90		3555.7Mondal, P; Jeffery, J W
The crystal structure of tricalcium aluminate, Ca~3~ Al~2~ O~6~
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 689-697
1008450 CIFAl6 O18 Sr9P a -315.8476; 15.8476; 15.8476
90; 90; 90		3980.1Alonso, J A; Rasines, I; Soubeyroux, J L
Tristrontium dialuminium hexaoxide: An intricate superstructure of perovskite
Inorganic Chemistry, 1990, 29, 4768-4771
2310113 CIF
Paper		Al72.515 Cr4.928 Fe7.853 Pd22.498P a -340.5405; 40.5405; 40.5405
90; 90; 90		66629.6Fujita, Nobuhisa; Takano, Hikari; Yamamoto, Akiji; Tsai, An-Pang
Cluster-packing geometry for Al-based F-type icosahedral alloys
Acta Crystallographica Section A, 2013, 69, 322-340
2002290 CIFAl8 O21 Pb8.6 Sr0.4P a -313.263; 13.263; 13.263
90; 90; 90		2333.1Ploetz, K B; Mueller-Buschbaum, Hk
Zur Kristallchemie der Oxoplumbate(II),IV Einbau von Sr(II) in Pb9 Al8 O21
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986), 1982, 37, 108-109
2002275 CIFAl8 O21 Pb9P a -313.26; 13.26; 13.26
90; 90; 90		2331.5Ploetz, K B; Mueller-Buschbaum, Hk
Zur Kenntnis von Pb9 Al8 O21
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1981, 480, 149-152
1001323 CIFAs Br3 Cd4 PP a -312.521; 12.521; 12.521
90; 90; 90		1963Rebbah, A; Deschanvres, A
Structure cristalline de Cd~4~ P As Br~3~
Annales de Chimie (Paris) (Vol=Year), 1981, 1981, 585-590
1001321 CIFAs Cd4 I3 PP a -312.884; 12.884; 12.884
90; 90; 90		2138.7Rebbah, A; Deschanvres, A
Etude comparative des structures des phases Cd~4~ A~2~ I~3~ (A=As, P) et de leur solution solide
Revue de Chimie Minerale, 1981, 18, 125-132
1538443 CIFAs Co SP a -35.59; 5.59; 5.59
90; 90; 90		174.677Onorato, E.
Roentgenographische Untersuchungen ueber den Kobaltglanz
Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-), 1957, 91, 41-51
9000134 CIFAs Co SP a -35.582; 5.582; 5.582
90; 90; 90		173.928Giese, R. F.; Kerr, P. F.
The crystal structures of ordered and disordered cobaltite disordered, annealed after heating in a vacuum to 850 C
American Mineralogist, 1965, 50, 1002-1014
2015402 CIF
HKL
Paper		As F12 IP a -39.409; 9.409; 9.409
90; 90; 90		833Evgeny Goreshnik; Zoran Mazej
Hexafluoroiodium(VII) hexafluoroarsenate
Acta Crystallographica Section C, 2006, 62, i59-i60
1535318 CIFAs Pt0.4 Rh0.3 Ru0.3 SP a -35.788; 5.788; 5.788
90; 90; 90		193.903Szymanski, J.T.
The crystal structure of platarsite, Pt (As, S)2, and a comparison with sperrylite, Pt As2
Canadian Mineralogist, 1979, 17, 117-123
9013070 CIFAs0.026 Fe S1.974P a -35.428; 5.428; 5.428
90; 90; 90		159.926Rieder, M.; Crelling, J. C.; Sustai, O.; Drabek, M.; Weiss, Z.; Klementova, M.
Arsenic in iron disulfides in a brown coal from the North Bohemian Basin, Czech Republic Sample: As-pyrite
International Journal of Coal Geology, 2007, 71, 115-121
1001322 CIFAs0.5 Cd4 I3 P1.5P a -312.843; 12.843; 12.843
90; 90; 90		2118.4Rebbah, A; Deschanvres, A
Etude comparative des structures des phases Cd~4~ A~2~ I~3~ (A=As, P) et de leur solution solide
Revue de Chimie Minerale, 1981, 18, 125-132
9013071 CIFAs0.54 Fe S1.46P a -35.429; 5.429; 5.429
90; 90; 90		160.015Rieder, M.; Crelling, J. C.; Sustai, O.; Drabek, M.; Weiss, Z.; Klementova, M.
Arsenic in iron disulfides in a brown coal from the North Bohemian Basin, Czech Republic Sample: natural As-pyrite
International Journal of Coal Geology, 2007, 71, 115-121
9005413 CIFAs0.618 Ba H2 Mn9 O26 V5.382P a -312.832; 12.832; 12.832
90; 90; 90		2112.92Brugger, J.; Bonin, M.; Schenk, K. J.; Meisser, N.; Berlepsch, P.; Ragu, A.
Description and crystal structure of nabiasite, BaMn9[(V,As)O4]6(OH)2, a new mineral from the Central Pyrenees (France)
European Journal of Mineralogy, 1999, 11, 879-890
9017150 CIFAs1.02 Ir0.05 Os0.01 Pt0.35 Rh0.31 Ru0.29 S0.98P a -35.788; 5.788; 5.788
90; 90; 90		193.903Szymanski, J. T.
The crystal structure of platarsite, Pt(As,S)2, and a comparison with sperrylite, PtAs2
The Canadian Mineralogist, 1979, 17, 117-123
9000163 CIFAs1.23 Ni S0.77P a -35.7053; 5.7053; 5.7053
90; 90; 90		185.71Bayliss, P.
The crystal structure of disordered gersdorffite
American Mineralogist, 1968, 53, 290-293
1531990 CIFAs1.46 Br7 Hg6 Sb3.54P a -312.775; 12.775; 12.775
90; 90; 90		2084.89Olenev, A.V.; Shatruk, M.M.; Popovkin, B.A.; Shevel'kov, A.V.
Synthesis and crystal structure of the supramolecular solid solution (Hg6 Asx Sb4-x) (Sb Br6) Br
Zhurnal Neorganicheskoi Khimii, 2001, 46, 1615-1618
1001320 CIFAs1.5 Cd4 I3 P0.5P a -312.955; 12.955; 12.955
90; 90; 90		2174.3Rebbah, A; Deschanvres, A
Etude comparative des structures des phases Cd~4~ A~2~ I~3~ (A=As, P) et de leur solution solide
Revue de Chimie Minerale, 1981, 18, 125-132
2239407 CIF
Paper		As2 Br3 Cd4P a -312.625; 12.625; 12.625
90; 90; 90		2012.3Kars, Mohammed; Roisnel, Thierry; Dorcet, Vincent; Rebbah, Allaoua; Otero-Diáz, L. Carlos
Cd~4~As~2~Br~3~
Acta Crystallographica Section E, 2014, 70, i15
1001624 CIFAs2 Cd4 I3P a -312.993; 12.993; 12.993
90; 90; 90		2193.5Gallay, J; Allais, G; Deschanvres, A
Structure de Cd4 As2 I3
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2274-2276
1001415 CIFAs2 Hg4 I3P a -312.999; 12.999; 12.999
90; 90; 90		2196.5Labbe, P; Ledesert, M; Raveau, B; Rebbah, A
Crystal structure of Hg~4~ As~2~ I~3~
Zeitschrift fuer Kristallographie (149,1979-), 1989, 187, 117-123
9004146 CIFAs2 Ir0.05 Os0.01 Pt0.35 Rh0.31 Ru0.29 S2P a -35.788; 5.788; 5.788
90; 90; 90		193.903Szymanski, J. T.
The crystal structure of platarsite, Pt(As,S)2, and a comparison with sperrylite, PtAs2
The Canadian Mineralogist, 1979, 17, 117-123
9012502 CIFAs2 NiP a -35.77; 5.77; 5.77
90; 90; 90		192.1Munson, R. A.
The synthesis of iridium disulfide and nickel diarsenide having the pyrite structure Locality: synthetic
Inorganic Chemistry, 1968, 7, 389-390
1011348 CIFAs2 PdP a -35.982; 5.982; 5.982
90; 90; 90		214.1Thomassen, L
Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle II
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1929, 4, 277-287
9012346 CIFAs2 PdP a -35.979; 5.979; 5.979
90; 90; 90		213.74Brese, N. E.; von Schnering, H. G.
Bonding trends in pyrites and a reinvestigation of the structures of PdAs2, PdSb2, PtSb2 and PtBi2
Zeitschrift fur Anorganische und Allgemeine Chemie, 1994, 620, 393-404
9014218 CIFAs2 PdP a -35.9855; 5.9855; 5.9855
90; 90; 90		214.438Furuseth, S.; Selte, K.; Kjekshus, A.
Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2
Acta Chemica Scandinavica, 1965, 19, 735-741
9014776 CIFAs2 PdP a -35.9855; 5.9855; 5.9855
90; 90; 90		214.438Furuseth, S.; Selte, K.; Kjekshus, A.
On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2
Acta Chemica Scandinavica, 1967, 21, 527-536
5910039 CIFAs2 PtP a -35.95; 5.95; 5.95
90; 90; 90		210.645Wyckoff, R. W. G.
Page 238 from the second edition of Structure of Crystals by Wyckoff. published by The Chemical Catalog Company, INC, New York in 1931 & http://database.iem.ac.ru/mincryst/
The second edition of Structure of Crystals, 1931, 238-238
5910121 CIFAs2 PtP a -35.95; 5.95; 5.95
90; 90; 90		210.645Wyckoff, R. W. G.
Pages 234 & 238 from the second edition of Structure of Crystals by Wyckoff. Published by The Chemical Catalog Company, INC, New York in 1931.
The second edition of Structure of Crystals, 1931, 234-238
9012408 CIFAs2 PtP a -35.9665; 5.9665; 5.9665
90; 90; 90		212.402Stassen, W. N.; Heyding, R. D.
Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2
Canadian Journal of Chemistry, 1968, 46, 2159-2163
9012409 CIFAs2 PtP a -35.968; 5.968; 5.968
90; 90; 90		212.562Stassen, W. N.; Heyding, R. D.
Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2
Canadian Journal of Chemistry, 1968, 46, 2159-2163
9016130 CIFAs2 PtP a -35.9665; 5.9665; 5.9665
90; 90; 90		212.402Furuseth, S.; Selte, K.; Kjekshus, A.
Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2
Acta Chemica Scandinavica, 1965, 19, 735-741
9016654 CIFAs2 PtP a -35.9665; 5.9665; 5.9665
90; 90; 90		212.402Furuseth, S.; Selte, K.; Kjekshus, A.
On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2
Acta Chemica Scandinavica, 1967, 21, 527-536
1535843 CIFAs2 SiP a -36.0232; 6.0232; 6.0232
90; 90; 90		218.515Donohue, P.C.; Siemons, W.J.; Gillson, J.L.
Preparation and Properties of Pyrite - Type Si P2 and Si As2
Journal of Physics and Chemistry of Solids, 1968, 29, 807-813
1531992 CIFAs2.206 Br7 Hg6 Sb2.794P a -312.704; 12.704; 12.704
90; 90; 90		2050.32Olenev, A.V.; Shatruk, M.M.; Shevel'kov, A.V.; Popovkin, B.A.
Synthesis and crystal structure of the supramolecular solid solution (Hg6 Asx Sb4-x) (Sb Br6) Br
Zhurnal Neorganicheskoi Khimii, 2001, 46, 1615-1618
8103015 CIFAs4 Br7 Hg6 InP a -312.3511; 12.3511; 12.3511
90; 90; 90		1884.16Hans-Jörg Deiseroth; Jens Schlirf; Christof Reiner
Crystal structure of tetraarsenidohexamercury hexabromoindate bromide, [Hg6As4][InBr6]Br and tetraantimonidohexamercury hexabromoindate bromide, [Hg6Sb4][InBr6]Br
Zeitschrift für Kristallographie - New Crystal Structures, 2009, 224, 167
1536301 CIFAs4 Cl7 Hg6 InP a -312.109; 12.109; 12.109
90; 90; 90		1775.52Olenev, A.V.; Tyablikov, A.S.; Shatruk, M.M.; Baranov, A.I.; Shevel'kov, A.V.
Synthesis and the crystal structure of (Hg As4) (In Cl6) Cl: influence of covalent and electrostatic factors on the supramolecular structure
Izvestiya Akad. Nauk, Seriya Khimicheskaya, 2002, 51, 414-418
7715807 CIFAs4 Ge Li8P a -312.17; 12.17; 12.17
90; 90; 90		1802.5Schmid, Martin; Wegner, Florian; De Giorgi, Claudia; Pielnhofer, Florian; Pfitzner, Arno
The cubic structure of Li<sub>3</sub>As stabilized by substitution - Li<sub>8</sub>TtAs<sub>4</sub> (Tt = Si, Ge) and Li<sub>14</sub>TtAs<sub>6</sub> (Tt = Si, Ge, Sn) and their lithium ion conductivity.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 11257-11263
7715810 CIFAs4 Li8 SiP a -312.096; 12.096; 12.096
90; 90; 90		1769.8Schmid, Martin; Wegner, Florian; De Giorgi, Claudia; Pielnhofer, Florian; Pfitzner, Arno
The cubic structure of Li<sub>3</sub>As stabilized by substitution - Li<sub>8</sub>TtAs<sub>4</sub> (Tt = Si, Ge) and Li<sub>14</sub>TtAs<sub>6</sub> (Tt = Si, Ge, Sn) and their lithium ion conductivity.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 11257-11263
4509693 CIFAs6 H20 Mo6 N2 Na2 Ni O36P a -315.2475; 15.2475; 15.2475
90; 90; 90		3544.8Li, Lili; Liu, Bin; Xue, Ganglin; Hu, Huaiming; Fu, Feng; Wang, Jiwu
Three Hybrid Organic−Inorganic Assemblies Based on Different Arsenatomolybdates and CuII−Organic Units
Crystal Growth & Design, 2009, 9, 5206
1510289 CIFAu Sb2P a -36.66; 6.66; 6.66
90; 90; 90		295.408Westgren, A.; Almin, A.; Nial, O.
Roentgenanalyse der Systeme Au-Sb und Ag-Sn
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1931, 14, 81-90
9000052 CIFAu Sb2P a -36.649; 6.649; 6.649
90; 90; 90		293.947Graham, A. R.; Kaiman, S.
Aurostibite, AuSb2; A new mineral in the pyrite group
American Mineralogist, 1952, 37, 461-469
9014306 CIFAu Sb2P a -36.6583; 6.6583; 6.6583
90; 90; 90		295.182Furuseth, S.; Selte, K.; Kjekshus, A.
Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2
Acta Chemica Scandinavica, 1965, 19, 735-741
9016730 CIFAu Sb2P a -36.6583; 6.6583; 6.6583
90; 90; 90		295.182Furuseth, S.; Selte, K.; Kjekshus, A.
On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2
Acta Chemica Scandinavica, 1967, 21, 527-536
4304962 CIFAu3 Ca GaP a -39.0882; 9.0882; 9.0882
90; 90; 90		750.64Qisheng Lin; John D. Corbett
Interpenetrating Networks of Three-Dimensional Penrose Tiles in CaAu3Ga, the Structurally Simplest Cubic Approximant of an Icosahedral Quasicrystal
Inorganic Chemistry, 2008, 47, 3462-3464
7209414 CIFAu3 Ge NaP a -39.021; 9.021; 9.021
90; 90; 90		734.115Doering, W.; Schuster, H.U.
Darstellung und Struktur von Na Au3 Si und Na Au3 Ge
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986), 1980, 35, 1482-1483
7209417 CIFAu3 Na SiP a -38.916; 8.916; 8.916
90; 90; 90		708.778Schuster, H.U.; Doering, W.
Darstellung und Struktur von Na Au3 Si und Na Au3 Ge
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986), 1980, 35, 1482-1483
4304963 CIFAu3.11 Ca Ga0.89P a -39.1107; 9.1107; 9.1107
90; 90; 90		756.23Qisheng Lin; John D. Corbett
Interpenetrating Networks of Three-Dimensional Penrose Tiles in CaAu3Ga, the Structurally Simplest Cubic Approximant of an Icosahedral Quasicrystal
Inorganic Chemistry, 2008, 47, 3462-3464
4304964 CIFAu3.13 Ca Ga0.87P a -39.1022; 9.1022; 9.1022
90; 90; 90		754.12Qisheng Lin; John D. Corbett
Interpenetrating Networks of Three-Dimensional Penrose Tiles in CaAu3Ga, the Structurally Simplest Cubic Approximant of an Icosahedral Quasicrystal
Inorganic Chemistry, 2008, 47, 3462-3464
4109449 CIFAu37 Ca12.6 In39.6P a -324.632; 24.632; 24.632
90; 90; 90		14945Qisheng Lin; John D. Corbett
Development of the Ca-Au-In Icosahedral Quasicrystal and Two Crystalline Approximants: Practice via Pseudogap Electronic Tuning
Journal of the American Chemical Society, 2007, 129, 6789-6797
4317015 CIFAu47.2 Ca13 Sn28.1P a -324.444; 24.444; 24.444
90; 90; 90		14605.5Qisheng Lin; John D. Corbett
Development of an Icosahedral Quasicrystal and Two Approximants in the Ca-Au-Sn System: Syntheses and Structural Analyses
Inorganic Chemistry, 2010, 49, 10436-10444
4305718 CIFAu57.11 Ca13 Ga23.4P a -323.9377; 23.9377; 23.9377
90; 90; 90		13716.6Qisheng Lin; John D. Corbett
Approximant Phases and an Icosahedral Quasicrystal in the Ca-Au-Ga System: The Influence of Size of Gallium versus Indium
Inorganic Chemistry, 2008, 47, 7651-7659
4331440 CIFB Cl10.94 I3.06 Na Zr6P a -313.313; 13.313; 13.313
90; 90; 90		2359.54Koeckerling, M.
Na Zr6 Cl10.94 I3.06 B : a second structure type in the (Zr6 X14 Z)-family of reduced zirconium halides. Perspectives for an even larger cluster chemistry
Inorganic Chemistry, 1998, 37, 380-381
1511041 CIFB Cl11.34 I2.66 Sr0.5 Zr6P a -313.262; 13.262; 13.262
90; 90; 90		2332.53Koeckerling, M.
New boron-centered mixed-halide zirconium cluster phases with a cubic structure: Na Zr6 Cl(12-2x) I(2+x) B(x<=6) and A(II)0.5 Zr6 (Cl, I)14 B (A(II)=Ca, Sr, Ba)
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1999, 625, 24-30
4345774 CIFB12 Cl12 Na2P a -312.5577; 12.5577; 12.5577
90; 90; 90		1980.3Bukovsky, Eric V.; Peryshkov, Dmitry V.; Wu, Hui; Zhou, Wei; Tang, Wan Si; Jones, W. Matthew; Stavila, Vitalie; Udovic, Terrence J.; Strauss, Steven H.
Comparison of the Coordination of B12F12(2-), B12Cl12(2-), and B12H12(2-) to Na(+) in the Solid State: Crystal Structures and Thermal Behavior of Na2(B12F12), Na2(H2O)4(B12F12), Na2(B12Cl12), and Na2(H2O)6(B12Cl12).
Inorganic chemistry, 2017, 56, 4369-4379
4345775 CIFB12 Cl12 Na2P a -312.4694; 12.4694; 12.4694
90; 90; 90		1938.82Bukovsky, Eric V.; Peryshkov, Dmitry V.; Wu, Hui; Zhou, Wei; Tang, Wan Si; Jones, W. Matthew; Stavila, Vitalie; Udovic, Terrence J.; Strauss, Steven H.
Comparison of the Coordination of B12F12(2-), B12Cl12(2-), and B12H12(2-) to Na(+) in the Solid State: Crystal Structures and Thermal Behavior of Na2(B12F12), Na2(H2O)4(B12F12), Na2(B12Cl12), and Na2(H2O)6(B12Cl12).
Inorganic chemistry, 2017, 56, 4369-4379
4306523 CIFB12 H12 Li2P a -39.57713; 9.57713; 9.57713
90; 90; 90		878.43Jae-Hyuk Her; Muhammed Yousufuddin; Wei Zhou; Satish S. Jalisatgi; James G. Kulleck; Jason A. Zan; Son-Jong Hwang; Robert C. Bowman; Terrence J. Udovic
Crystal Structure of Li2B12H12: a Possible Intermediate Species in the Decomposition of LiBH4
Inorganic Chemistry, 2008, 47, 9757-9759
7243100 CIFB12 H13 K O25P a -312.243; 12.243; 12.243
90; 90; 90		1835.1Qiu, Qi-Ming; Yang, Guo-Yu
From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates
CrystEngComm, 2021, 23, 5200-5207
2017431 CIF
HKL
Paper		B12 H26 K2 Ni10 O72 P12P a -313.467; 13.467; 13.467
90; 90; 90		2442.4Yakubovich, Olga V.; Steele, Ian M.; Massa, Werner; Dimitrova, Olga V.
12-Membered borophosphate rings in KNi~5~[P~6~B~6~O~23~(OH)~13~]
Acta Crystallographica Section C, 2009, 65, i94-i98
2244159 CIF
HKL
Paper		B12 H3 K Mg2 O22P a -312.2966; 12.2966; 12.2966
90; 90; 90		1859.32Qiu, Qi-Ming; Song, Jian-Biao
Crystal structure of MgK~0.5~[B~6~O~10~](OH)~0.5~·0.5H~2~O, poly[dimagnesium potassium bis(hexaborate) hydroxide monohydrate]
Acta Crystallographica Section E, 2022, 78, 1003-1005
7243565 CIFB12 H3 Na2 O21 RbP a -312.3596; 12.3596; 12.3596
90; 90; 90		1888Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu
Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks
CrystEngComm, 2021, 23, 7081-7089
2105408 CIFB2 Ca O4P a -39.008; 9.008; 9.008
90; 90; 90		730.946Marezio, M.; Dernier, P.D.; Remeika, J.P.
The crystal structure of the high pressure phase, Ca B2 O4 (IV), and polymorphism in Ca B2 O4
Acta Crystallographica B (24,1968-38,1982), 1969, 25, 965-970
1510884 CIFB2 Ca S4P a -311.21; 11.21; 11.21
90; 90; 90		1408.69Endo, T.; Takeda, T.; Sasaki, T.; Takizawa, H.
High-pressure synthesis of a new calcium thioborate, Ca B2 S4
Materials Research Bulletin, 2003, 38, 33-39
1510797 CIFB2 O4 SrP a -39.2123; 9.2123; 9.2123
90; 90; 90		781.815Angel, R.J.; Ross, N.L.
Crystal structure of high pressure SrB2O4(IV)
Journal of Solid State Chemistry, 1991, 90, 27-30
7702912 CIFB3 H12 NdP a -311.2034; 11.2034; 11.2034
90; 90; 90		1406.21Payandeh GharibDoust, SeyedHosein; Heere, Michael; Nervi, Carlo; Sørby, Magnus H; Hauback, Bjørn C; Jensen, Torben R.
Synthesis, structure, and polymorphic transitions of praseodymium(iii) and neodymium(iii) borohydride, Pr(BH<sub>4</sub>)<sub>3</sub> and Nd(BH<sub>4</sub>)<sub>3</sub>.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 8307-8319
7702909 CIFB3 H12 PrP a -311.2941; 11.2941; 11.2941
90; 90; 90		1440.64Payandeh GharibDoust, SeyedHosein; Heere, Michael; Nervi, Carlo; Sørby, Magnus H; Hauback, Bjørn C; Jensen, Torben R.
Synthesis, structure, and polymorphic transitions of praseodymium(iii) and neodymium(iii) borohydride, Pr(BH<sub>4</sub>)<sub>3</sub> and Nd(BH<sub>4</sub>)<sub>3</sub>.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 8307-8319
1000342 CIFBa F5.5 H1.5 Nb O1.5P a -39.9259; 9.9259; 9.9259
90; 90; 90		977.9Crosnier-Lopez, M P; Duroy, H; Fourquet, J L
BaNbF~7-x~(OH)~x~: preparation and crystal structure
European Journal of Solid State Inorganic Chemistry, 1993, 30, 549-556
7033080 CIFBa Mn9 O26 V6P a -312.8373; 12.8373; 12.8373
90; 90; 90		2115.54Guo, Wenbin; He, Zhangzhen; Tang, Yingying; Zhang, Suyun; Yang, Ming; Cheng, Wendan
BaMn9(II)(VO4)6(OH)2: a homospin ferrimagnet with a broken spinel-lattice of B-sites.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 6363-6367
1532289 CIFBa N2 O6P a -38.11021; 8.11021; 8.11021
90; 90; 90		533.453Trounov, V.A.; Tserkovnaya, E.A.; Gurin, V.N.; Korsukova, M.M.; Derkachenko, L.I.; Nikanorov, S.P.
Effect of centrifugation on the crystal structure of barium nitrate
Pis'ma v Zhurnal Tekhnicheskoi Fiziki, 2002, 28, 89-94
5910065 CIFBa N2 O6P a -38.11; 8.11; 8.11
90; 90; 90		533.41Wyckoff, R. W. G.
Crystal structure of barium nitrate
Crystals structures, Vol. II, 1951
9011343 CIFBa N2 O6P a -38.1184; 8.1184; 8.1184
90; 90; 90		535.071Nowotny, H.; Heger, G.
Structure refinement of strontium nitrate, Sr(NO3)2, and barium nitrate, Ba(NO3)2 Locality: synthetic
Acta Crystallographica, Section C, 1983, 39, 952-956
1536422 CIFBa N4 P2P a -310.22992; 10.22992; 10.22992
90; 90; 90		1070.57Karau, F.W.; Schnick, W.
High-pressure synthesis, x-ray powder structure determination, and solid-state NMR investigation of Ba P2 N4
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2006, 632, 231-237
1001095 CIFBa2 Cr O6 UP a -38.301; 8.301; 8.301
90; 90; 90		572Grenet, J V; Michel, A
Etude cristallographique des composes Ba~2~ Fe U O~6~ et Ba~2~ Cr U O~6~
Annales de Chimie (Paris) (Vol=Year), 1971, 1971, 83-88
1001134 CIFBa2 Fe0.667 Mg0.5 O6 U0.833P a -38.328; 8.328; 8.328
90; 90; 90		577.6Padel, L; Poix, P; Michel, A
Preparation et etude cristallographique du systeme Ba~2~ Mg U O~6~ - Ba~2~ Fe~1.333~ U.~667~ O~6~
Revue de Chimie Minerale, 1972, 9, 337-350
1001133 CIFBa2 Fe1.333 O6 U0.667P a -38.25; 8.25; 8.25
90; 90; 90		561.5Padel, L; Poix, P; Michel, A
Preparation et etude cristallographique du systeme Ba~2~ Mg U O~6~ - Ba~2~ Fe~1.333~ U.~667~ O~6~
Revue de Chimie Minerale, 1972, 9, 337-350
4326534 CIFBa3.97 Fe3 K1.03 O9P a -316.7644; 16.7644; 16.7644
90; 90; 90		4711.55Qingbiao Zhao; Saritha Nellutla; Won-Joon Son; Shae A. Vaughn; Longfei Ye; Mark D. Smith; Vincent Caignaert; Michael Lufaso; Thomas M. Pekarek; Alex I. Smirnov; Myung-Hwan Whangbo; Hans-Conrad zur Loye
Ba4KFe3O9: A Novel Ferrite Containing Discrete 6-Membered Rings of Corner-Sharing FeO4 Tetrahedra
Inorganic Chemistry, 2011, 50, 10310-10318
1541950 CIFBa8 Fe4 In1.332 O24 U2.668P a -38.319; 8.319; 8.319
90; 90; 90		575.723Berthon, J.; Grenet, J.C.; Poix, P.
Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent
Annales de Chimie (Paris), 1979, 4, 609-621
1541813 CIFBa8 Fe4.268 In1.064 O24 U2.668P a -38.307; 8.307; 8.307
90; 90; 90		573.235Berthon, J.; Grenet, J.C.; Poix, P.
Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent
Annales de Chimie (Paris), 1979, 4, 609-621
1541812 CIFBa8 Fe4.8 In0.532 O24 U2.668P a -38.285; 8.285; 8.285
90; 90; 90		568.693Berthon, J.; Poix, P.; Grenet, J.C.
Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent
Annales de Chimie (Paris), 1979, 4, 609-621
1541949 CIFBa8 Fe5.064 In0.268 O24 U2.668P a -38.269; 8.269; 8.269
90; 90; 90		565.404Berthon, J.; Grenet, J.C.; Poix, P.
Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent
Annales de Chimie (Paris), 1979, 4, 609-621
2006315 CIF
Paper		Be4 N6 O19P a -314.025; 14.025; 14.025
90; 90; 90		2758.7Haley, Martin J.; Wallwork, Stephen C.; Duffin, Bryan; Logan, Norman; Addison, C. Clifford
Hexa-μ-nitrato-μ~4~-oxo-tetraberyllium
Acta Crystallographica Section C, 1997, 53, 829-830
1534495 CIFBi Br7 F4 H26 N6P a -313.109; 13.109; 13.109
90; 90; 90		2252.73Gerasimenko, A. V.; Bukvetskii, B. V.; Davidovich, R. L.; Udovenko, A. A.
Crystal structure of threefold salt (NH4)3BiBr6*NH4Br* 2NH4HF2
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1991, 17, 322-324
1000327 CIFBi0.5 O7 P2 Ta0.5P a -38.253; 8.253; 8.253
90; 90; 90		562.1Oyetola, S; Verbaere, A; Guyomard, D; Crosnier, M P; Piffard, Y; Tournoux, M
New ZrP~2~O~7~-like diphosphates of either mixed (M^III^~1/2~M'^V^~1/2~) cations (M=Sb,Bi,Nd,Eu;M'=Sb, Nb,Ta) or M'^V^ cations (M'=Ta,Nb):synthesis and structure
European Journal of Solid State Inorganic Chemistry, 1991, 28, 23-36
9010030 CIFBi1.3 Pd0.27 Pt0.73 Sb0.07 Te0.63P a -36.687; 6.687; 6.687
90; 90; 90		299.016Bayliss, P.
Crystal chemistry and crystallography of some minerals within the pyrite group
American Mineralogist, 1989, 74, 1168-1176
9012345 CIFBi2 PtP a -36.7014; 6.7014; 6.7014
90; 90; 90		300.952Brese, N. E.; von Schnering, H. G.
Bonding trends in pyrites and a reinvestigation of the structures of PdAs2, PdSb2, PtSb2 and PtBi2
Zeitschrift fur Anorganische und Allgemeine Chemie, 1994, 620, 393-404
9012882 CIFBi2 PtP a -36.683; 6.683; 6.683
90; 90; 90		298.479Wallbaum, H. J.
Die kristallstrukturen von Bi2Pt und Sn2Pt
Zeitschrift fur Metallkunde, 1943, 35, 200-201
9014032 CIFBi2 PtP a -36.7022; 6.7022; 6.7022
90; 90; 90		301.059Furuseth, S.; Selte, K.; Kjekshus, A.
Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2
Acta Chemica Scandinavica, 1965, 19, 735-741
9013933 CIFBr CuP a -36.7378; 6.7378; 6.7378
90; 90; 90		305.882Hull, S.; Keen, D. A.
High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 5.08 GPa Note: known as CuBr-V
Physical Review B, 1994, 50, 5868-5885
9013934 CIFBr CuP a -36.6674; 6.6674; 6.6674
90; 90; 90		296.394Hull, S.; Keen, D. A.
High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 7.29 GPa Note: known as CuBr-V
Physical Review B, 1994, 50, 5868-5885
2000204 CIF
Paper		Br2 Cu H12 O12P a -310.324; 10.324; 10.324
90; 90; 90		1100.38Blackburn, A. C.; Gallucci, J. C.; Gerkin, R. E.
Structure of hexaaquacopper(II) bromate
Acta Crystallographica Section C, 1991, 47, 2019-2023
2000244 CIF
Paper		Br2 H12 Ni O12P a -310.2987; 10.2987; 10.2987
90; 90; 90		1092.31Blackburn, A. C.; Gallucci, J. C.; Gerkin, R. E.
Structure of hexaaquanickel(II) bromate
Acta Crystallographica Section C, 1991, 47, 1786-1789
1010024 CIFBr2 H12 O12 ZnP a -310.316; 10.316; 10.316
90; 90; 90		1097.8Yue, S H; Beevers, C A
The crystal structure of zinc bromate hexahydrate Zn (Br O~3~)~2~ (H~2~ O)~6~
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1936, 95, 426-434
8102925 CIFBr4 GeP a -311.1723; 11.1723; 11.1723
90; 90; 90		1394.5Köhler, J.; Okudera, H.; Reuter, D.; Simon, A.
Crystal structure of germanium tetrabromide, α-GeBr~4~, room temperature modification
Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 523-523
2105706 CIF
Paper		Br4 SiP a -311.17701; 11.17701; 11.17701
90; 90; 90		1396.29Wolf, Alexandra K.; Glinnemann, Jürgen; Schmidt, Martin U.; Tong, Jianwei; Dinnebier, Robert E.; Simon, Arndt; Köhler, Jürgen
SiBr4‒ prediction and determination of crystal structures
Acta Crystallographica Section B Structural Science, 2009, 65, 342-349
1535632 CIFBr4 TiP a -311.258; 11.258; 11.258
90; 90; 90		1426.87Troyanov, S.I.; Rybakov, V.B.; Ionov, V.M.
Synthesis and crystal structures of Ti Br4,Ti Br3 and Ti (Al Br4)2
Zhurnal Neorganicheskoi Khimii, 1990, 35, 882-887
1534161 CIFBr6 H12 Mg O6 TeP a -311.93; 11.93; 11.93
90; 90; 90		1697.94Angoso, A.; Onken, H.; Hahn, H.
Zur Struktur der Magnesiumhexaquo-hexahalogenotellurate(IV)
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1964, 328, 223-230
1531988 CIFBr7 Hg6 Sb5P a -312.978; 12.978; 12.978
90; 90; 90		2185.86Olenev, A.V.; Shatruk, M.M.; Popovkin, B.A.; Shevel'kov, A.V.
Synthesis and crystal structure of the supramolecular solid solution (Hg6 Asx Sb4-x) (Sb Br6) Br
Zhurnal Neorganicheskoi Khimii, 2001, 46, 1615-1618
7221053 CIFC H Cd Cl K N OP a -320.496; 20.496; 20.496
90; 90; 90		8610Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping
Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks
CrystEngComm, 2015, 17, 6103
7221059 CIFC H Cd I N O RbP a -320.7438; 20.7438; 20.7438
90; 90; 90		8926.2Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping
Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks
CrystEngComm, 2015, 17, 6103
1557628 CIFC H N O TiP a -321.1205; 21.1205; 21.1205
90; 90; 90		9421.3Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang
Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity
Chemical Science, 2020, 11, 3978-3985
2010226 CIF
Paper		C H N3 O6P a -310.358; 10.358; 10.358
90; 90; 90		1111.29Schodel, H.; Dienelt, R.; Bock, H.
Trinitromethane
Acta Crystallographica Section C, 1994, 50, 1790-1792
1505078 CIFC H11 B10 PP a -39.7418; 9.7418; 9.7418
90; 90; 90		924.5Balaz, Snjezana; Caruso, A. N.; Platt, N. P.; Dimov, D. I.; Boag, N. M.; Brand, J. I.; Losovyj, Ya B.; Dowben, P. A.
The influence of the molecular dipole on the electronic structure of isomeric icosahedral dicarbadodecaborane and phosphacarbadodecaborane molecular films.
The journal of physical chemistry. B, 2007, 111, 7009-7016
9011442 CIFC H30 Al N O20 S2P a -312.314; 12.314; 12.314
90; 90; 90		1867.23Abdeen, A. M.; Will, G.; Schafer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A.
X-ray and neutron diffraction study of alums II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Sample: neutron data
Zeitschrift fur Kristallographie, 1981, 157, 147-166
9011443 CIFC H30 Al N O20 S2P a -312.322; 12.322; 12.322
90; 90; 90		1870.87Abdeen, A. M.; Will, G.; Schaefer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A.
X-ray and neutron diffraction study of alums II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Sample: X-ray data
Zeitschrift fur Kristallographie, 1981, 157, 147-166
7203762 CIFC H4 Cl In0.33 N2 OP a -313.9176; 13.9176; 13.9176
90; 90; 90		2695.83Sardar, Kripasindhu; Dan, Meenakshi; Schwenzer, Birgit; Rao, C. N. R.
A simple single-source precursor route to the nanostructures of AlN, GaN and InN
Journal of Materials Chemistry, 2005, 15, 2175
1010060 CIFC O2P a -35.63; 5.63; 5.63
90; 90; 90		178.5de Smedt, J.; Keesom, W. H.
The structure of solid nitrous oxide and carbon dioxide
Proceedings of the Koninklijke Nederlandse Akademie van Wetenschappen, 1924, 27, 839-846
1010489 CIFC O2P a -35.62; 5.62; 5.62
90; 90; 90		177.5Mark, H.; Pohland, E.
Das Gitter des festen Kohlendioxyds
Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie, 1924, 61, 293-298
1010492 CIFC O2P a -35.62; 5.62; 5.62
90; 90; 90		177.5de Smedt, J.; Keesom, W. H.
Das Gitter des festen Kohlendioxyds
Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie, 1925, 62, 312-313
1010496 CIFC O2P a -35.63; 5.63; 5.63
90; 90; 90		178.5Kruener, H
Die Kristallstruktur des festen Kohlendioxyds.
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1926, 63, 275-283
1010498 CIFC O2P a -35.62; 5.62; 5.62
90; 90; 90		177.5Mark, H; Pohland, E
Zur Kristallstruktur des festen Kohlendioxyds.
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1926, 63, 113-114
2007414 CIFC O2P a -35.4942; 5.4942; 5.4942
90; 90; 90		165.85Downs, R. T.; Somayazulu, M. S.
Carbon dioxide at 1.0 GPa
Acta Crystallographica, Section C: Crystal Structure Communications, 1998, 54, 897-898
9007643 CIFC O2P a -35.624; 5.624; 5.624
90; 90; 90		177.884Simon, A.; Peters, K.
Single-crystal refinement of the structure of carbon dioxide Sample: T = 150 K
Acta Crystallographica, Section B, 1980, 36, 2750-2751
7103135 CIFC10 H8 Cl0.5 Cu0.33 N3.33P a -317.6375; 17.6375; 17.6375
90; 90; 90		5486.7Donnelly, Paul S; Zanatta, Shannon D; Zammit, Steven C; White, Jonathan M; Williams, Spencer J
'Click' cycloaddition catalysts: copper(I) and copper(II) tris(triazolylmethyl)amine complexes.
Chemical communications (Cambridge, England), 2008, 2459-2461
1536262 CIFC10 I30 Sc24P a -325.6135; 25.6135; 25.6135
90; 90; 90		16803.8Jongen, L.; Mudring, A.V.; Meyer, G.
The molecular solid Sc24 C10 I30: a truncated, hollow T4 supertetrahedron of iodine filled with a T3 supertetrahedron of scandium that encapsulates the adamantoid cluster Sc4 C10
Angew. Chem. Int. ed., 2006, 45, 1886-1889
4345334 CIFC102 H130 B4 N24 S7 Y4P a -328.859; 28.859; 28.859
90; 90; 90		24035Zhang, Fangjun; Zhang, Jie; Zhou, Xigeng
Facile Construction of Yttrium Pentasulfides from Yttrium Alkyl Precursors: Synthesis, Mechanism, and Reactivity.
Inorganic chemistry, 2017, 56, 2070-2077
4305871 CIFC105 H74 Br3 Cd7 N37 O19 P2P a -329.7407; 29.7407; 29.7407
90; 90; 90		26305.9Ai-Xin Zhu; Jie-Peng Zhang; Yan-Yong Lin; Xiao-Ming Chen
Pentanuclear and Heptanuclear Helicates By Self-Assembly of d10 Metal Ions and a Rigid Aromatic Bis-Bidentate Chelator
Inorganic Chemistry, 2008, 47, 7389-7395
7043239 CIFC108 H120.5 Cl2 N12 Ni7 O24.25P a -322.615; 22.615; 22.615
90; 90; 90		11566Kobayashi, Fumiya; Ohtani, Ryo; Teraoka, Saki; Kosaka, Wataru; Miyasaka, Hitoshi; Zhang, Yingjie; Lindoy, Leonard F.; Hayami, Shinya; Nakamura, Masaaki
Syntheses, Structures and Magnetic Properties of Tetranuclear Cubane-type and Heptanuclear Wheel-type Nickel(II) Complexes with 3-Methoxysalicylic Acid Derivatives
Dalton Trans., 2017
7027495 CIFC108 H216 Cs9 Cu24 I33 O54P a -328.2558; 28.2558; 28.2558
90; 90; 90		22559.2Domasevitch, Konstantin V.; Rusanova, Julia A.; Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Squattrito, Philip J.; Sieler, Joachim; Raithby, Paul R.
Extended multidecker sandwich architecture of Cs±-18-crown-6 complexes stabilized in the environment of novel large iodocuprate(I) clusters obtained from zerovalent copper
Journal of the Chemical Society, Dalton Transactions, 1999, 3087
7042041 CIFC108 H216 K8 N12 O48 Pd24 Sb42P a -329.59; 29.59; 29.59
90; 90; 90		25908Li, Zhenyu; Ruan, Huapeng; Wang, Lulu; Liu, Caiping; Xu, Li
Counterion-induced crystallization of intermetalloid Matryoshka clusters [Sb@Pd12@Sb20](3-,4).
Dalton transactions (Cambridge, England : 2003), 2017, 46, 3453-3456
7108623 CIFC108 H314 Cu18 N30 O124 S20P a -328.0037; 28.0037; 28.0037
90; 90; 90		21960.7Zilu Zilu; Yifei Wang; Long Liu; Zhong Zhang; Fupei Liang
A six-bladed impeller-like Cu18 nanocluster with S6 symmetry constructed from simple inorganic linkers
Chem.Commun., 2012, 48, 11689
7047573 CIFC109 H128 Cl2 N12 Ni6 O27 ZnP a -322.6686; 22.6686; 22.6686
90; 90; 90		11648.6Kobayashi, Fumiya; Ohtani, Ryo; Kusumoto, Sotaro; Lindoy, Leonard F.; Hayami, Shinya; Nakamura, Masaaki
Wheel-type heterometallic ferromagnetic clusters: [Ni<sub>7-x</sub>M<sub>x</sub>(HL)<sub>6</sub>(μ<sub>3</sub>-OMe)<sub>4</sub>(μ<sub>3</sub>-OH)<sub>2</sub>]Cl<sub>2</sub> (M = Zn, Co, Mn; x = 1, 3).
Dalton transactions (Cambridge, England : 2003), 2018, 47, 16422-16428
4038951 CIFC109 H28 N12 S6P a -318.9035; 18.9035; 18.9035
90; 90; 90		6755Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.
Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.
The Journal of organic chemistry, 2017, 82, 5034-5045
4319285 CIFC110 H158 O6 Zn6P a -321.8012; 21.8012; 21.8012
90; 90; 90		10361.9Maarten B. Dinger; Michael J. Scott
Synthesis, Characterization, and Reactivity of Multinuclear Zinc(II) Alkyl Derivatives of Linked Phenoxides
Inorganic Chemistry, 2001, 40, 1029-1036
7054284 CIFC112 H132 Cl2 Fe Mn6 N18 O34P a -322.9655; 22.9655; 22.9655
90; 90; 90		12112.3Kopotkov, Vyacheslav A.; Yagubskii, Eduard B.; Simonov, Sergey V.; Zorina, Leokadiya V.; Starichenko, Denis V.; Korolyov, Alexander V.; Ustinov, Vladimir V.; Shvachko, Yuri N.
Heterometallic complexes combining [MnIII(salpn)]+and [Fe(CN)6]4−units as the products of reactions between [MnIII(salpn)(H2O)C(CN)3] and [Fe(CN)6]3−/4−
New Journal of Chemistry, 2014, 38, 4167
4038952 CIFC113 H16 N12 S12P a -319.504; 19.504; 19.504
90; 90; 90		7419.4Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.
Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.
The Journal of organic chemistry, 2017, 82, 5034-5045
4322436 CIFC114 H108 Br15 Cu8 P6P a -323.0997; 23.0997; 23.0997
90; 90; 90		12325.9Graham A. Bowmaker; Peter D. W. Boyd; Clifton E. F. Rickard; Marcia L. Scudder; Ian G. Dance
The [Cu8Br15]6- Ion, A Crystal-Stabilized High-Symmetry Mixed-Valence Copper Complex with a Linear Halogen Bridge
Inorganic Chemistry, 1999, 38, 5476-5477
4331148 CIFC114 H116 Cl2 Fe7 N24 O13P a -323.934; 23.934; 23.934
90; 90; 90		13710Ivan Šalitroš; Roman Boča; Radovan Herchel; Ján Moncol; Ivan Nemec; Mario Ruben; Franz Renz
Mixed-Valence Heptanuclear Iron Complexes with Ferromagnetic Interaction
Inorganic Chemistry, 2012, 51, 12755-12767
4331149 CIFC114 H116 Cl2 Fe7 N24 O13P a -324.1809; 24.1809; 24.1809
90; 90; 90		14139Ivan Šalitroš; Roman Boča; Radovan Herchel; Ján Moncol; Ivan Nemec; Mario Ruben; Franz Renz
Mixed-Valence Heptanuclear Iron Complexes with Ferromagnetic Interaction
Inorganic Chemistry, 2012, 51, 12755-12767
4330599 CIFC114 H120 Ag3 Cl3 N12 O42P a -325.9744; 25.9744; 25.9744
90; 90; 90		17524.1James J. Henkelis; Sarah A. Barnett; Lindsay P. Harding; Michaele J. Hardie
Coordination Polymers Utilizing N-Oxide Functionalized Host Ligands
Inorganic Chemistry, 2012, 51, 10657-10674
4304620 CIFC114 H158 Fe2 K2 N14 O14P a -322.3171; 22.3171; 22.3171
90; 90; 90		11115.1Remle Çelenligil-Çetin; Patrina Paraskevopoulou; Rupam Dinda; Richard J. Staples; Ekkehard Sinn; Nigam P. Rath; Pericles Stavropoulos
Synthesis, Characterization, and Reactivity of Iron Trisamidoamine Complexes That Undergo Both Metal- and Ligand-Centered Oxidative Transformations
Inorganic Chemistry, 2008, 47, 1165-1172
4321173 CIFC115 H150 Eu8 O26P a -329.9377; 29.9377; 29.9377
90; 90; 90		26832William J. Evans; Michael A. Greci; Joseph W. Ziller
Reactivity of "Eu(OiPr)2" with Phenols: Formation of Linear Eu3, Square Pyramidal Eu5, Cubic Eu8, and Capped Cubic Eu9 Polymetallic Europium Complexes
Inorganic Chemistry, 2000, 39, 3213-3220
4114487 CIFC115 H222 Cu6 F27 N44 O27 Os2 Re4 S9 Se8P a -327.2115; 27.2115; 27.2115
90; 90; 90		20149.2Eric G. Tulsky; Nathan R. M. Crawford; Stéphane A. Baudron; Patrick Batail; Jeffrey R. Long
Cluster-to-Metal Magnetic Coupling: Synthesis and Characterization of 25-Electron [Re6-nOsnSe8(CN)6](5-n)- (n = 1, 2) Clusters and {Re6-nOsnSe8[CNCu(Me6tren)]6}9+ (n = 0, 1, 2) Assemblies
Journal of the American Chemical Society, 2003, 125, 15543-15553
7018957 CIFC119.5 H89.5 Co10 N14.5 O26.5P a -328.0546; 28.0546; 28.0546
90; 90; 90		22080.7Wang, Lei; Li, Yi; Peng, Yu; Liang, Zhiqiang; Yu, Jihong; Xu, Ruren
A novel decanuclear Co(ii) cluster with adamantane-like metallic skeleton supported by 8-hydroxyquinoline and in situ formed CO32− anions
Dalton Transactions, 2012, 41, 6242
1505734 CIFC12 H12 CrP a -39.5714; 9.5714; 9.5714
90; 90; 90		876.85Lyssenko, Konstantin A.; Korlyukov, Alexander A.; Golovanov, Denis G.; Ketkov, Sergey Yu; Antipin, Mikhail Yu
Estimation of the barrier to rotation of benzene in the (eta 6-C6H6)2Cr crystal via topological analysis of the electron density distribution function.
The journal of physical chemistry. A, 2006, 110, 6545-6551
7002651 CIFC12 H18 Cl N6 O3 ReP a -314.8438; 14.8438; 14.8438
90; 90; 90		3270.66Flores-Figueroa, Aarón; Kaufhold, Oliver; Feldmann, Kai-Oliver; Hahn, F. Ekkehardt
Synthesis of NHC complexes by template controlled cyclization of β-functionalized isocyanides
Dalton Transactions, 2009, 9334-9342
4319200 CIFC12 H18 Ga N3 O6P a -314.0762; 14.0762; 14.0762
90; 90; 90		2789.05Hongyan Luo; Natashia Eberly; Robin D. Rogers; Martin W. Brechbiel
Syntheses and Characterizations of Metal Complexes Derived from cis,cis-1,3,5-Triaminocyclohexane-N,N',N''-triacetic Acid
Inorganic Chemistry, 2001, 40, 493-498
1548786 CIF
HKL
Paper		C12 H20 Cd Cu2 N8P a -312.3775; 12.3775; 12.3775
90; 90; 90		1896.3Nishikiori, Shin-ichi; Yoshida, Jun; Yuge, Hidetaka
Poly[bis(trimethylammonium) [hexa-μ-cyanido-cadmium(II)dicopper(I)]]
IUCrData, 2017, 2, x171771
7705267 CIFC12 H22 Co N O3 PP a -314.6369; 14.6369; 14.6369
90; 90; 90		3135.8Kephart, Jonathan A.; Boggiano, Andrew C.; Kaminsky, Werner; Velian, Alexandra
Inorganic clusters as metalloligands: ligand effects on the synthesis and properties of ternary nanopropeller clusters.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 16464-16473
2012064 CIF
HKL
Paper		C12 H27 P SP a -314.232; 14.232; 14.232
90; 90; 90		2883Steinberger, Hans-Uwe; Ziemer, Burkhard; Meisel, Manfred
Tris(<i>tert</i>-butyl)phosphine sulfide, a phosphine sulfide with three bulky substituents
Acta Crystallographica Section C, 2001, 57, 835-837
2011815 CIF
HKL
Paper		C12 H27 P SeP a -314.4773; 14.4773; 14.4773
90; 90; 90		3034.3Steinberger, Hans-Uwe; Ziemer, Burkhard; Meisel, Manfred
Tris(<i>tert</i>-butyl)phosphine selenide, the missing link in tris(<i>tert</i>-butyl)phosphine chalcogenide structures ^<i>t^</i>Bu~3~P=<i>X</i> (<i>X</i> = O, S, Se, Te)
Acta Crystallographica Section C, 2001, 57, 323-324
7006077 CIFC12 H30 I6 Se2 ZrP a -314.1964; 14.1964; 14.1964
90; 90; 90		2861.1Reid, Stuart D.; Hector, Andrew L.; Levason, William; Reid, Gillian; Waller, Benjamin J.; Webster, Michael
Thio- and seleno-ether complexes with Group 4 tetrahalides and tin tetrachloride: preparation and use in CVD for metal chalcogenide films.
Dalton transactions (Cambridge, England : 2003), 2007, 4769-4777
4504314 CIFC12 H30 N26 O13.98 Zn5P a -315.0448; 15.0448; 15.0448
90; 90; 90		3405.3Park, Hyunsoo; Krigsfeld, Gabriel; Teat, Simon J.; Parise, John B.
Synthesis and Structural Determination of Four Novel Metal−Organic Frameworks in a Zn−3-Amino-1,2,4-Triazole System
Crystal Growth & Design, 2007, 7, 1343
7033396 CIFC12 H6 N6 O7 Zn3P a -320.077; 20.077; 20.077
90; 90; 90		8092.76Fu, Hong-Ru; Wang, Fei; Zhang, Jian
A stable zinc-4-carboxypyrazole framework with high uptake and selectivity of light hydrocarbons.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 2893-2896
8104427 CIFC12 N6P a -310.781; 10.781; 10.781
90; 90; 90		1253.07Drueck, U.; Kutoglu, A.
Experimental difference densities of hexacyanobenzene at 120 K. Refinement of electron density distributions with charge-cloud models
Zeitschrift fuer Kristallographie (149,1979-), 1984, 166, 233-244
4514368 CIFC120 H162 Ag8 F0 N60 O18 S13P a -335.835; 35.835; 35.835
90; 90; 90		46017Chang, Zhiduo; Jing, Xu; He, Cheng; Liu, Xin; Duan, Chunying
Silver Clusters as Robust Nodes and π‒Activation Sites for the Construction of Heterogeneous Catalysts for the Cycloaddition of Propargylamines
ACS Catalysis, 2018, 8, 1384
7009647 CIFC120 H234 Cu18 I27 N6 O54 Rb9P a -328.0474; 28.0474; 28.0474
90; 90; 90		22063.7Rusanova, Julia A.; Domasevitch, Konstantin V.; Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Rusanov, Eduard B.; Nedelko, Sergey G.; Chukova, Oksana V.; Ahrens, Birte; Raithby, Paul R.
New luminescent copper(I) halide complexes containing Rb+ complexes of 18-crown-6 as counter ions prepared from zerovalent copper
Journal of the Chemical Society, Dalton Transactions, 2000, 2175
7033526 CIFC121 H94 Co10 N15 O27.5P a -328.1201; 28.1201; 28.1201
90; 90; 90		22235.7Khakhlary, Prithiviraj; E Anson, Christopher; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.
Structural and magnetic properties of oxyquinolinate clusters of cobalt(ii) and manganese(ii) and serendipitous intake of carbonate during synthesis.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 2964-2969
7033527 CIFC121 H94 Mn10 N15 O27.5P a -328.2948; 28.2948; 28.2948
90; 90; 90		22652.7Khakhlary, Prithiviraj; E Anson, Christopher; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.
Structural and magnetic properties of oxyquinolinate clusters of cobalt(ii) and manganese(ii) and serendipitous intake of carbonate during synthesis.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 2964-2969
7059817 CIFC126 H102 Cu6 F18 N24 O6 Si3P a -323.36997; 23.36997; 23.36997
90; 90; 90		12763.6Gopalakrishnan, Mohan; Krittametaporn, Nuttaporn; Yoshinari, Nobuto; Konno, Takumi; Sangtrirutnugul, Preeyanuch
Anion-templated assembly of multinuclear copper(ii)‒triazole complexes
New Journal of Chemistry, 2020, 44, 13764-13770
7029138 CIFC13 H18 Fe I PP a -320.3608; 20.3608; 20.3608
90; 90; 90		8440.8Kübler, Paul; Sundermeyer, Jörg
Ferrocenyl-phosphonium ionic liquids - synthesis, characterisation and electrochemistry.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 3750-3766
6000197 CIF
Paper		C13 H36 Si4P a -312.7876; 12.7876; 12.7876
90; 90; 90		2091.06Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander
Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~
Acta Crystallographica Section B, 1999, 55, 1014-1029
1515631 CIFC132 H180 Cl12 Co8 N72 O4P a -325.1026; 25.1026; 25.1026
90; 90; 90		15818.2Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed
Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study
Chemical Science, 2011, 2, 1695
7027112 CIFC14 H28 Cd3 N12 O S6P a -314.871; 14.871; 14.871
90; 90; 90		3288.7Mondal, Arunendu; Mostafa, Golam; Ghosh, Ashutosh; Laskar, Inamur Rahaman; Chaudhuri, Nirmalendu Ray
Construction of a unique three-dimensional array with cadmium(II) †
Journal of the Chemical Society, Dalton Transactions, 1999, 9
7713290 CIFC14 H30 Ag4 I6 N4P a -314.5961; 14.5961; 14.5961
90; 90; 90		3109.64Pan, Xue-Wei; Li, Qing-Qing; Zhai, Lu; Zhang, Jin; Liu, Wen-Long; Ren, Xiao-Ming
Organic-inorganic haloargentate hybrids of [Me-dabco]Ag<sub>2</sub>X<sub>3</sub> (X = I or Br) with halide ions manipulating the crystal structure, phase transition, and dielectric behavior.
Dalton transactions (Cambridge, England : 2003), 2023
2004351 CIF
Paper		C14 H37 Co P4P a -316.216; 16.216; 16.216
90; 90; 90		4264.1Stringer, G.; Taylor, N. J.; Marder, T. B.
Ethynyltetrakis(trimethylphosphine)cobalt(I), [Co(CCH){P(CH~3~)~3~}~4~]
Acta Crystallographica Section C, 1996, 52, 80-82
4117816 CIFC143 H139 Cl2 N23 O23 S6 Zn6P a -324.349; 24.349; 24.349
90; 90; 90		14435.9Anuj K. Sharma; Stephanie T. Pavlova; Jaekwang Kim; Darren Finkelstein; Nicholas J. Hawco; Nigam P. Rath; Jungsu Kim; Liviu M. Mirica
Bifunctional Compounds for Controlling Metal-Mediated Aggregation of the Aβ42 Peptide
Journal of the American Chemical Society, 2012, 134, 6625-6636
7234580 CIFC149 H137 Ag6 Cl7 Cu O4 P9 S6P a -330.958; 30.958; 30.958
90; 90; 90		29670.1Liang-Jin Xu; Xu Zhang; Jin-Yun Wang; Zhong-Ning Chen
High-efficiency solution-processed OLEDs based on cationic Ag6Cu heteroheptanuclear cluster complexes with aromatic acetylides
Journal of Materials Chemistry C, 2016, 4, 1787-1794
4322948 CIFC149 H159 O13 P9 Ru3 Ti3P a -330.83; 30.83; 30.83
90; 90; 90		29304Thomas Rüther; Ulli Englert; Ulrich Koelle
Synthesis and Complexation Properties of the Anions (η5-C5Me5)Ru(PR2O)32- as Ligands
Inorganic Chemistry, 1998, 37, 4265-4271
1524230 CIFC15 Eu2.819P a -328.21; 28.21; 28.21
90; 90; 90		22449.6Claves, D.; Ksari-Habiles, Y.; Chouteau, G.; Touzain, P.
Crystal chemistry of europium fullerides
Solid State Communications, 1998, 106, 431-435
2205949 CIF
HKL
Paper		C15 H21 Mn Na O6P a -322.075; 22.075; 22.075
90; 90; 90		10757Saha, Amrita; Musie, Ghezai; Powell, Douglas R.
Sodium tris(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')manganese(II)
Acta Crystallographica Section E, 2005, 61, m1144-m1146
7239481 CIFC15 H5 Cd3 Eu N6 O13P a -316.736; 16.736; 16.736
90; 90; 90		4687.65Yang, Ting-Hai; Ferreira, Rute A. S.; Carlos, Luis D.; Rocha, João; Shi, Fa-Nian
Crystal structure, topology, tiling and photoluminescence properties of 4d‒4f hetero-metal organic frameworks based on 3,5-pyrazoledicaboxylate
RSC Advances, 2014, 4, 7818
7239477 CIFC15 H5 Cd3 La N6 O13P a -316.8594; 16.8594; 16.8594
90; 90; 90		4792.1Yang, Ting-Hai; Ferreira, Rute A. S.; Carlos, Luis D.; Rocha, João; Shi, Fa-Nian
Crystal structure, topology, tiling and photoluminescence properties of 4d‒4f hetero-metal organic frameworks based on 3,5-pyrazoledicaboxylate
RSC Advances, 2014, 4, 7818
7239479 CIFC15 H5 Cd3 N6 Nd O13P a -316.7718; 16.7718; 16.7718
90; 90; 90		4717.79Yang, Ting-Hai; Ferreira, Rute A. S.; Carlos, Luis D.; Rocha, João; Shi, Fa-Nian
Crystal structure, topology, tiling and photoluminescence properties of 4d‒4f hetero-metal organic frameworks based on 3,5-pyrazoledicaboxylate
RSC Advances, 2014, 4, 7818
7239478 CIFC15 H5 Cd3 N6 O13 PrP a -316.8075; 16.8075; 16.8075
90; 90; 90		4748Yang, Ting-Hai; Ferreira, Rute A. S.; Carlos, Luis D.; Rocha, João; Shi, Fa-Nian
Crystal structure, topology, tiling and photoluminescence properties of 4d‒4f hetero-metal organic frameworks based on 3,5-pyrazoledicaboxylate
RSC Advances, 2014, 4, 7818
7239480 CIFC15 H5 Cd3 N6 O13 SmP a -316.7466; 16.7466; 16.7466
90; 90; 90		4696.56Yang, Ting-Hai; Ferreira, Rute A. S.; Carlos, Luis D.; Rocha, João; Shi, Fa-Nian
Crystal structure, topology, tiling and photoluminescence properties of 4d‒4f hetero-metal organic frameworks based on 3,5-pyrazoledicaboxylate
RSC Advances, 2014, 4, 7818
7108117 CIFC15 H5 N6 O13 Y Zn3P a -316.2486; 16.2486; 16.2486
90; 90; 90		4289.9C. B. Liu; R. A. S. Ferreira; F. A. Almeida Paz; A. Cadiau; L. D. Carlos; L. S. Fu; J. Rocha; F.-N. Shi
Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork
Chem.Commun., 2012, 48, 7964
7108111 CIFC15 H5.5 Ce N6 O13.25 Zn3P a -316.3614; 16.3614; 16.3614
90; 90; 90		4379.9C. B. Liu; R. A. S. Ferreira; F. A. Almeida Paz; A. Cadiau; L. D. Carlos; L. S. Fu; J. Rocha; F.-N. Shi
Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork
Chem.Commun., 2012, 48, 7964
7108114 CIFC15 H5.5 Eu N6 O13.25 Zn3P a -316.2939; 16.2939; 16.2939
90; 90; 90		4325.89C. B. Liu; R. A. S. Ferreira; F. A. Almeida Paz; A. Cadiau; L. D. Carlos; L. S. Fu; J. Rocha; F.-N. Shi
Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork
Chem.Commun., 2012, 48, 7964
7108115 CIFC15 H5.5 Gd N6 O13.25 Zn3P a -316.2944; 16.2944; 16.2944
90; 90; 90		4326.28C. B. Liu; R. A. S. Ferreira; F. A. Almeida Paz; A. Cadiau; L. D. Carlos; L. S. Fu; J. Rocha; F.-N. Shi
Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork
Chem.Commun., 2012, 48, 7964
7108110 CIFC15 H5.5 La N6 O13.25 Zn3P a -316.3969; 16.3969; 16.3969
90; 90; 90		4408.44C. B. Liu; R. A. S. Ferreira; F. A. Almeida Paz; A. Cadiau; L. D. Carlos; L. S. Fu; J. Rocha; F.-N. Shi
Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork
Chem.Commun., 2012, 48, 7964
7108112 CIFC15 H5.5 N6 O13.25 Pr Zn3P a -316.3504; 16.3504; 16.3504
90; 90; 90		4371.04C. B. Liu; R. A. S. Ferreira; F. A. Almeida Paz; A. Cadiau; L. D. Carlos; L. S. Fu; J. Rocha; F.-N. Shi
Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork
Chem.Commun., 2012, 48, 7964
7108113 CIFC15 H5.5 N6 O13.25 Sm Zn3P a -316.3028; 16.3028; 16.3028
90; 90; 90		4332.98C. B. Liu; R. A. S. Ferreira; F. A. Almeida Paz; A. Cadiau; L. D. Carlos; L. S. Fu; J. Rocha; F.-N. Shi
Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork
Chem.Commun., 2012, 48, 7964
7108116 CIFC15 H5.5 N6 O13.25 Tb Zn3P a -316.2707; 16.2707; 16.2707
90; 90; 90		4307.43C. B. Liu; R. A. S. Ferreira; F. A. Almeida Paz; A. Cadiau; L. D. Carlos; L. S. Fu; J. Rocha; F.-N. Shi
Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork
Chem.Commun., 2012, 48, 7964
7239526 CIFC156 H132 Cu6 I13.5 N42 O12P a -327.6501; 27.6501; 27.6501
90; 90; 90		21139.3Fu, Lei; Liu, Yu; Pan, Mei; Kuang, Xiao-Jun; Yan, Cheng; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong
Accumulation of versatile iodine species by a porous hydrogen-bonding Cu(ii) coordination framework
Journal of Materials Chemistry A, 2013, 1, 8575
7239525 CIFC156 H132 Cu6 I6 N42 O12P a -327.3103; 27.3103; 27.3103
90; 90; 90		20369.5Fu, Lei; Liu, Yu; Pan, Mei; Kuang, Xiao-Jun; Yan, Cheng; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong
Accumulation of versatile iodine species by a porous hydrogen-bonding Cu(ii) coordination framework
Journal of Materials Chemistry A, 2013, 1, 8575
7239527 CIFC156 H132 Cu6 I9 N42 O12P a -327.627; 27.627; 27.627
90; 90; 90		21086.3Fu, Lei; Liu, Yu; Pan, Mei; Kuang, Xiao-Jun; Yan, Cheng; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong
Accumulation of versatile iodine species by a porous hydrogen-bonding Cu(ii) coordination framework
Journal of Materials Chemistry A, 2013, 1, 8575
7206249 CIFC156 H192 B6 Cu6 F24 N42 O42P a -327.3936; 27.3936; 27.3936
90; 90; 90		20556.4Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong
Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions
CrystEngComm, 2011, 13, 4564
4501101 CIFC156 H204 Cl6 Co6 N42 O72P a -327.5139; 27.5139; 27.5139
90; 90; 90		20828.4Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong
Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand
Crystal Growth & Design, 2011, 11, 4876
4501104 CIFC156 H236 B6 F24 N42 O64 Zn6P a -327.314; 27.314; 27.314
90; 90; 90		20377.7Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong
Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand
Crystal Growth & Design, 2011, 11, 4876
4501102 CIFC157 H151 B6 Cl3 Co6 F24 N42 O21P a -327.4578; 27.4578; 27.4578
90; 90; 90		20701.3Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong
Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand
Crystal Growth & Design, 2011, 11, 4876
7218675 CIFC16 H20 Co N2 O7 S2P a -324.755; 24.755; 24.755
90; 90; 90		15170Wang, Jing; Jing, Xuemin; Cao, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling
Structural diversity and magnetic properties of three metal‒organic frameworks assembled from a T-shaped linker
CrystEngComm, 2015, 17, 604
2010607 CIF
HKL
Paper		C16 H32 Cd3 N12 O S6P a -315.0766; 15.0766; 15.0766
90; 90; 90		3427Mostafa, Golam; Mondal, Arunendu; Laskar, Inamur R.; Welch, A. J.; Chaudhuri, N. Ray
A three-dimensional network of cadmium
Acta Crystallographica Section C, 2000, 56, 146-148
7211466 CIFC16 H36 I6 N4 PbP a -314.6567; 14.6567; 14.6567
90; 90; 90		3148.54Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong
Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives
CrystEngComm, 2013, 15, 10399
4123925 CIFC165 H157 Ag29 N7 O7 P4 S24P a -334.2011; 34.2011; 34.2011
90; 90; 90		40005.5AbdulHalim, Lina G.; Bootharaju, Megalamane S.; Tang, Qing; Del Gobbo, Silvano; AbdulHalim, Rasha G.; Eddaoudi, Mohamed; Jiang, De-En; Bakr, Osman M.
Ag29(BDT)12(TPP)4: A Tetravalent Nanocluster.
Journal of the American Chemical Society, 2015, 137, 11970-11975
7051642 CIFC168 H132 F24 N36 Si4 Zn4P a -332.973; 32.973; 32.973
90; 90; 90		35849Tidmarsh, Ian S.; Taylor, Brian F.; Hardie, Michaele J.; Russo, Luca; Clegg, William; Ward, Michael D.
Further investigations into tetrahedral M4L6 cage complexes containing guest anions: new structures and NMR spectroscopic studies
New Journal of Chemistry, 2009, 33, 366
7210506 CIFC168 H478 Cl36 Dy12 N24 O131P a -341.1341; 41.1341; 41.1341
90; 90; 90		69599.5Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun
A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4
CrystEngComm, 2011, 13, 2084-2090
4132715 CIFC17 H8 Cu N O4P a -340.52; 40.52; 40.52
90; 90; 90		66529Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D.
Methane Storage in Paddlewheel-Based Porous Coordination Cages.
Journal of the American Chemical Society, 2018, 140, 11153-11157
1556853 CIFC174 H186 Ag6 Cl6 N6 O30 S12P a -325.8366; 25.8366; 25.8366
90; 90; 90		17246.7Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung
Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions.
The Analyst, 2020, 145, 1667-1676
7040563 CIFC177 H129 Mn8 N15 O37P a -331.8857; 31.8857; 31.8857
90; 90; 90		32418.1Chen, Zilu; Hu, Zhaobo; Li, Yisheng; Liang, Yuning; Wang, Xinyu; Ouyang, Li; Zhao, Qin; Cheng, Haiyan; Liang, Fupei
Manganese clusters of aromatic oximes: synthesis, structure and magnetic properties.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 15634-15643
2009711 CIF
Paper		C18 H15 As I2P a -315.448; 15.448; 15.448
90; 90; 90		3686.5Abbas, S.; Godfrey, S.M.; McAuliffe, C.A.; Pritchard, R.G.
A cubic modification of (triphenylarsine)diiodine
Acta Crystallographica Section C, 1994, 50, 717-719
2003376 CIF
Paper		C18 H24 B2 F8 RuP a -312.636; 12.636; 12.636
90; 90; 90		2017.6Blake, A. J.; Dyson, P. J.; Gould, R. O.; Johnson, B. F. G.; Parsons, S.
The Twinned Crystal Structure of Bis(η^6^-mesitylene)ruthenium(II) Tetrafluoroborate at 150 K
Acta Crystallographica Section C, 1995, 51, 582-584
7217866 CIFC18 H26 Cl In N4 O9P a -327.59; 27.59; 27.59
90; 90; 90		21002Wang, Jing; Luo, Jiahuan; Zhi, Bo; Li, Guanghua; Huo, Qisheng; Liu, Yunling
Anion-templated assembly of three indium‒organic frameworks with diverse topologies
CrystEngComm, 2014, 16, 9810
4120318 CIFC18 H30 Fe Li0.33 N2.33 O SiP a -323.0569; 23.0569; 23.0569
90; 90; 90		12257.5Tamara M. Powers; Theodore A. Betley
Testing the Polynuclear Hypothesis: Multielectron Reduction of Small Molecules by Triiron Reaction Sites
Journal of the American Chemical Society, 2013, 135, 12289-12296
7125721 CIFC18 H38 Ag4 I6 N4P a -315.141; 15.141; 15.141
90; 90; 90		3471.1Zhang, Jin; Yao, Wan-Wan; Sang, Lei; Pan, Xue-Wei; Wang, Xiao-Zu; Liu, Wen-Long; Wang, Lifeng; Ren, Xiao-Ming
Multi-step structural phase transitions with novel symmetry breaking and inverse symmetry breaking characteristics in a [Ag<sub>4</sub>I<sub>6</sub>]<sup>2-</sup> cluster hybrid crystal.
Chemical communications (Cambridge, England), 2020, 56, 462-465
1565353 CIFC18 H51 Na5 O39.5 TiP a -320.476; 20.476; 20.476
90; 90; 90		8584.9Engelberg, Nathan; Bino, Avi; Tshuva, Edit Y.
Preparation, structural characterization and cytotoxicity of hydrolytically stable Ti(IV) citrate complexes
Inorganica Chimica Acta, 2020, 503, 119429
4132719 CIFC18.89 H8 Cu D7.56 N O4P a -340.519; 40.519; 40.519
90; 90; 90		66524Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D.
Methane Storage in Paddlewheel-Based Porous Coordination Cages.
Journal of the American Chemical Society, 2018, 140, 11153-11157
4347496 CIFC185 H300 N9 Na3 O18 Zr3P a -334.4443; 34.4443; 34.4443
90; 90; 90		40865.1Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki
Zirconium Hydride Complex Supported by a Tetradentate Carbon-Centered Tripodal Tris(aryloxide) Ligand: Synthesis, Structure, and Reactivity.
Inorganic chemistry, 2016, 55, 3967-3973
7108843 CIFC19 H17 Br0.69 Cl3.32 PP a -315.9738; 15.9738; 15.9738
90; 90; 90		4075.91Kirill Nikitin; Helge Muller-Bunz; Declan Gilheany
Direct evidence of a multicentre halogen bond: unexpected contraction of the P-XXX-P fragment in triphenylphosphine dihalides
Chemical communications (Cambridge, England), 2013, 49, 1434-1436
7108842 CIFC19 H17 Br2 Cl2 PP a -316.1626; 16.1626; 16.1626
90; 90; 90		4222.15Kirill Nikitin; Helge Muller-Bunz; Declan Gilheany
Direct evidence of a multicentre halogen bond: unexpected contraction of the P-XXX-P fragment in triphenylphosphine dihalides
Chemical communications (Cambridge, England), 2013, 49, 1434-1436
7111624 CIFC19 H9 O15 S3 Zn4P a -319.025; 19.025; 19.025
90; 90; 90		6886.1Takashima, Yohei; Bonneau, Charlotte; Furukawa, Shuhei; Kondo, Mio; Matsuda, Ryotaro; Kitagawa, Susumu
Periodic molecular boxes in entangled enantiomorphic lcy nets
Chemical Communications, 2010, 46, 4142-4144
4345226 CIFC194 H167 Cl10 Eu4 N27 O91P a -337.8968; 37.8968; 37.8968
90; 90; 90		54426.2Vuillamy, Alexandra; Zebret, Soumaila; Besnard, Céline; Placide, Virginie; Petoud, Stéphane; Hamacek, Josef
Functionalized Triptycene-Derived Tripodal Ligands: Privileged Formation of Tetranuclear Cage Assemblies with Larger Ln(III)
Inorganic Chemistry, 2017
2100842 CIF
Paper		C2 D2P a -36.102; 6.102; 6.102
90; 90; 90		227.2McMullan, R. K.; Kvick, Å.; Popelier, P.
Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction
Acta Crystallographica Section B, 1992, 48, 726-731
2100840 CIF
Paper		C2 H2P a -36.094; 6.094; 6.094
90; 90; 90		226.31McMullan, R. K.; Kvick, Å.; Popelier, P.
Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction
Acta Crystallographica Section B, 1992, 48, 726-731
2100841 CIF
Paper		C2 H2P a -36.105; 6.105; 6.105
90; 90; 90		227.54McMullan, R. K.; Kvick, Å.; Popelier, P.
Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction
Acta Crystallographica Section B, 1992, 48, 726-731
4321641 CIFC2 H3 Ag B11 Cl11P a -312.4887; 12.4887; 12.4887
90; 90; 90		1947.8Chi-Wing Tsang; Qingchuan Yang; Eric Tung-Po Sze; Thomas C. W. Mak; Dominic T. W. Chan; Zuowei Xie
Weakly Coordinating Nature of a Carborane Cage Bearing Different Halogen Atoms. Synthesis and Structural Characterization of Icosahedral Mixed Halocarborane Anions, 1-H-CB11Y5X6- (X, Y = Cl, Br, I)
Inorganic Chemistry, 2000, 39, 5851-5858
7030159 CIFC2 H8 Al0.67 Ge1.33 N2 Ni0.33 O4P a -316.4433; 16.4433; 16.4433
90; 90; 90		4445.97Xu, Yan; Li, Yi; Han, Yide; Yu, Jihong; Xu, Ruren
Distribution of trivalent metal cations in alumino-/gallogermanate zeolites with JST topology.
Dalton transactions (Cambridge, England : 2003), 2012, 41, 12170-12174
7030157 CIFC2 H8 Co0.33 Ga0.67 Ge1.33 N2 O4P a -316.5903; 16.5903; 16.5903
90; 90; 90		4566.3Xu, Yan; Li, Yi; Han, Yide; Yu, Jihong; Xu, Ruren
Distribution of trivalent metal cations in alumino-/gallogermanate zeolites with JST topology.
Dalton transactions (Cambridge, England : 2003), 2012, 41, 12170-12174
7030156 CIFC2 H8 Ga0.67 Ge1.33 N2 O4 Zn0.33P a -316.563; 16.563; 16.563
90; 90; 90		4543.8Xu, Yan; Li, Yi; Han, Yide; Yu, Jihong; Xu, Ruren
Distribution of trivalent metal cations in alumino-/gallogermanate zeolites with JST topology.
Dalton transactions (Cambridge, England : 2003), 2012, 41, 12170-12174
4119779 CIF
HKL		C2 N2 ZnP a -312.48147; 12.48147; 12.48147
90; 90; 90		1944.45Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman
Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2
Journal of the American Chemical Society, 2013, 135, 7621-7628
4119780 CIF
HKL		C2 N2 ZnP a -312.46007; 12.46007; 12.46007
90; 90; 90		1934.47Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman
Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2
Journal of the American Chemical Society, 2013, 135, 7621-7628
4128899 CIFC20 H112 Mo2 N10 Na O96 P Se W22P a -322.557; 22.557; 22.557
90; 90; 90		11477.4Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy
Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.
Journal of the American Chemical Society, 2019, 141, 13479-13486
7221056 CIFC20 H12 Cd2 I0.33 N16 Na0.33 O4P a -320.6279; 20.6279; 20.6279
90; 90; 90		8777.4Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping
Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks
CrystEngComm, 2015, 17, 6103
7053396 CIFC20 H19 Br0.79 Cl3.21 PP a -316.2023; 16.2023; 16.2023
90; 90; 90		4253.34Saplinova, Tatyana; Lehnert, Christian; Böhme, Uwe; Wagler, Jörg; Kroke, Edwin
Melem- and melamine-derived iminophosphoranes
New Journal of Chemistry, 2010, 34, 1893
2015226 CIF
Paper		C20 H22 B2 Ca Cl6 N12P a -314.6697; 14.6697; 14.6697
90; 90; 90		3156.9María Gabriela-Ballinas-López; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Herbert Höpfl; Efrén V. García-Báez
Facial π···Cl···π interactions as the directing motif of the supramolecular structures of Mg^2+^ and Ca^2+^ bis[hydrotris(pyrazolyl)borate] chloroform disolvates
Acta Crystallographica Section C, 2006, 62, m132-m135
2015225 CIF
Paper		C20 H22 B2 Cl6 Mg N12P a -314.3475; 14.3475; 14.3475
90; 90; 90		2953.4María Gabriela-Ballinas-López; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Herbert Höpfl; Efrén V. García-Báez
Facial π···Cl···π interactions as the directing motif of the supramolecular structures of Mg^2+^ and Ca^2+^ bis[hydrotris(pyrazolyl)borate] chloroform disolvates
Acta Crystallographica Section C, 2006, 62, m132-m135
4132716 CIFC20.25 H8 Cu D13 N O4P a -340.53; 40.53; 40.53
90; 90; 90		66578Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D.
Methane Storage in Paddlewheel-Based Porous Coordination Cages.
Journal of the American Chemical Society, 2018, 140, 11153-11157
4062477 CIFC21 H15 F3 GeP a -315.2629; 15.2629; 15.2629
90; 90; 90		3555.6Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.; Sadiq, Ghazala; Warren, John E.
Preparation and Functionalization of a Range of Main-Group Trifluoropropynyl Organometallic Compounds: The Application of Metalloid-Directed Carbolithiation to the Selective Synthesis of Novel Fluorocarbon Fragments.
Organometallics, 2003, 22, 5534-5542
4062478 CIFC21 H15 F3 SiP a -315.1654; 15.1654; 15.1654
90; 90; 90		3487.9Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.; Sadiq, Ghazala; Warren, John E.
Preparation and Functionalization of a Range of Main-Group Trifluoropropynyl Organometallic Compounds: The Application of Metalloid-Directed Carbolithiation to the Selective Synthesis of Novel Fluorocarbon Fragments.
Organometallics, 2003, 22, 5534-5542
4318828 CIFC21 H21 B2 Cu F8 N6P a -321.973; 21.973; 21.973
90; 90; 90		10609Guo Dong; Pang Ke-liang; Duan Chun-ying; He Cheng; Meng Qing-jin
Design and Crystal Structures of Triple Helicates with Crystallographic Idealized D3 Symmetry: The Role of Side Chain Effect on Crystal Packing
Inorganic Chemistry, 2002, 41, 5978-5985
1557626 CIFC21 H9 N3 O6 TiP a -320.9953; 20.9953; 20.9953
90; 90; 90		9254.8Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang
Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity
Chemical Science, 2020, 11, 3978-3985
7119035 CIFC216 H228 F96 N72 Sb16 Zn8P a -340.8424; 40.8424; 40.8424
90; 90; 90		68129Jing Yang; Xiao-Yong Chang; Kiu-Chor Sham; Shek-Man Yiu; Hoi-Lun Kwong; Chi-Ming Che
M8L12 cubic cages with all facial delta or facial lamda configuration: effects of surface anions on the occupancy of the cage and anion exchange
Chem.Commun., 2016, 52, 5981
4502902 CIFC22 H33 B F4 N3 OP a -316.693; 16.693; 16.693
90; 90; 90		4652Murata, Tsuyoshi; Miyazaki, Eigo; Yokoyama, Takuji; Nakasuji, Kazuhiro; Morita, Yasushi
Intermolecular Hydrogen-Bond Networks and Physical Properties of BF4‒and TCNQ•‒Salts of Three-Fold Symmetric Tris(alkylamino)phenalenyliums
Crystal Growth & Design, 2012, 12, 804
7028444 CIFC22 H48 Cl4 N6 NiP a -318.5823; 18.5823; 18.5823
90; 90; 90		6416.5Gutschank, Benjamin; Schulz, Stephan; Bläser, Dieter; Wölper, Christoph
Methanetrisamidines in coordination chemistry - syntheses, structures and CH-NH tautomerism.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 2907-2914
4304553 CIFC22 H60 La4 N9 Na Ni5 O58P a -333.8871; 33.8871; 33.8871
90; 90; 90		38914Xiang-Jian Kong; Yan-Ping Ren; La-Sheng Long; Zhiping Zheng; Gary Nichol; Rong-Bin Huang; Lan-Sun Zheng
Dual Shell-like Magnetic Clusters Containing NiII and LnIII (Ln = La, Pr, and Nd) Ions
Inorganic Chemistry, 2008, 47, 2728-2739
7700528 CIFC228 H254 N28 O81 Zn16P a -322.5919; 22.5919; 22.5919
90; 90; 90		11530.8Meng, Huan-Huan; Wang, Cai-Yun; Xi, Wei; Song, Xue-Qin; Wang, Li
A cationic tetrahedral Zn(ii) cluster based on a new salicylamide imine multidentate ligand: synthesis, structure and fluorescence sensing study.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 12326-12335
7203149 CIFC23 H26 N2 OP a -325.078; 25.078; 25.078
90; 90; 90		15772Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga
Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs
CrystEngComm, 2006, 8, 233
7203151 CIFC23 H26 N2 OP a -325.39; 25.39; 25.39
90; 90; 90		16368Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga
Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs
CrystEngComm, 2006, 8, 233
7119036 CIFC232 H240 Cd8 F48 N72 O48 S16P a -341.313; 41.313; 41.313
90; 90; 90		70512Jing Yang; Xiao-Yong Chang; Kiu-Chor Sham; Shek-Man Yiu; Hoi-Lun Kwong; Chi-Ming Che
M8L12 cubic cages with all facial delta or facial lamda configuration: effects of surface anions on the occupancy of the cage and anion exchange
Chem.Commun., 2016, 52, 5981
4348814 CIFC24 Bi6 F36 Fe13 O76P a -327.6602; 27.6602; 27.6602
90; 90; 90		21162.5Sadeghi, Omid; Falaise, Clément; Molina, Pedro I.; Hufschmid, Ryan; Campana, Charles F.; Noll, Bruce C.; Browning, Nigel D.; Nyman, May
Chemical Stabilization and Electrochemical Destabilization of the Iron Keggin Ion in Water.
Inorganic chemistry, 2016, 55, 11078-11088
4314341 CIFC24 H110 N6 O64 P6 Zn9P a -320.1198; 20.1198; 20.1198
90; 90; 90		8144.6Chong Lei; Jiang-Gao Mao; Yan-Qiong Sun; Hui-Yi Zeng; Abraham Clearfield
{Zn6[MeN(CH2CO2)(CH2PO3)]6(Zn)}4- Anion: The First Example of the Oxo-Bridged Zn6 Octahedron with a Centered Zn(II) Cation
Inorganic Chemistry, 2003, 42, 6157-6159
7021658 CIFC24 H12 In3 O16P a -319.722; 19.722; 19.722
90; 90; 90		7671Ji, Wenbin; Hu, Hailiang; Zhang, Weisong; Huang, Hui; He, Xiaodie; Han, Xiao; Zhao, Fangfang; Liu, Yang; Kang, Zhenhui
Indium(iii)-dicarboxylic microporous frameworks with high adsorption selectivity for CO2 over N2.
Dalton transactions (Cambridge, England : 2003), 2013, 42, 10690-10693
1507796 CIFC24 H12 N12 O25 Zn6P a -320.123; 20.123; 20.123
90; 90; 90		8148.5Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M.
Hydrogen Storage in New Metal‒Organic Frameworks
The Journal of Physical Chemistry C, 2012, 116, 13143
4509870 CIFC24 H30 Cl K N10 O6P a -318.148; 18.148; 18.148
90; 90; 90		5977Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao
Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere
Crystal Growth & Design, 2014, 14, 544
4509869 CIFC24 H30 Cl N10 Na O6P a -317.832; 17.832; 17.832
90; 90; 90		5670Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao
Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere
Crystal Growth & Design, 2014, 14, 544
4509876 CIFC24 H30 F K N10 O6P a -318.037; 18.037; 18.037
90; 90; 90		5868Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao
Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere
Crystal Growth & Design, 2014, 14, 544
2200315 CIF
HKL
Paper		C24 H48 Cl6 Fe3 O7P a -315.244; 15.244; 15.244
90; 90; 90		3542.4Bolte, Michael; Lerner, Hans-Wolfram; Scholz, Stefan
[Fe(thf)~6~][Cl~3~Fe‒O‒FeCl~3~]
Acta Crystallographica Section E, 2001, 57, m216-m217
7028186 CIFC24 H49 Mo N18 O0.5 S16 W3P a -322.759; 22.759; 22.759
90; 90; 90		11789McLean, Iain J.; Hernandez-Molina, Rita; Sokolov, Maxim N.; Seo, Mi-Sook; Virovets, Alexander V.; Elsegood, Mark R. J.; Clegg, William; Sykes, A. Geoffrey
Preparation, structure and properties of three [MoxW4−xS4(H2O)12]5+ (x = 1‒3) and [MoW3Se4(H2O)12]5+ cuboidal complexes alongside [Mo4S4(H2O)12]5+ and [Mo4Se4(H2O)12]5+
Journal of the Chemical Society, Dalton Transactions, 1998, 2557
4317623 CIFC24 H49 N18 O0.5 S16 W4P a -322.76; 22.76; 22.76
90; 90; 90		11790Maxim N. Sokolov; Danil N. Dybtsev; Alexander V.Virovets; Vladimir P.Fedin; Pedro Esparza; Rita Hernandez-Molina; Dieter Fenske; A. Geoffrey Sykes
Preparation and Properties of the Aqua Ions [W4S4(H2O)12]n+ (n= 5, 6) and Crystal Structure of (Me2NH2)6[W4S4(NCS)12].0.5H2O#
Inorganic Chemistry, 2002, 41, 1136-1139
4308069 CIFC24 H54 B2 F4 N2 P2P a -314.298; 14.298; 14.298
90; 90; 90		2923Silke Courtenay; Denise Walsh; Sarah Hawkeswood; Pingrong Wei; Anjan Kumar Das; Douglas W. Stephan
Boron and Aluminum Complexes of Sterically Demanding Phosphinimines and Phosphinimides
Inorganic Chemistry, 2007, 46, 3623-3631
4323398 CIFC24 H56 Ag4 F24 N12 O4 P4P a -321.85; 21.85; 21.85
90; 90; 90		10432Lucia Carlucci; Gianfranco Ciani; Davide M. Proserpio; Angelo Sironi
A Novel 3D Three-Connected cubic Network Containing [Ag6(hmt)6]6+ hexagonal Units (hmt = Hexamethylenetetramine)
Inorganic Chemistry, 1997, 36, 1736-1737
4308067 CIFC24 H58 Al2 N2 P2P a -314.486; 14.486; 14.486
90; 90; 90		3039.8Silke Courtenay; Denise Walsh; Sarah Hawkeswood; Pingrong Wei; Anjan Kumar Das; Douglas W. Stephan
Boron and Aluminum Complexes of Sterically Demanding Phosphinimines and Phosphinimides
Inorganic Chemistry, 2007, 46, 3623-3631
7126781 CIFC24 H60 O18 V6P a -316.3679; 16.3679; 16.3679
90; 90; 90		4385.09Meyer, Rachel L.; Love, Robert; Brennessel, William W.; Matson, Ellen M.
Mechanistic insights into polyoxometalate self-assembly in organic solvent: conversion of a cyclic polyoxovanadate-ethoxide to its Lindqvist congener.
Chemical communications (Cambridge, England), 2020, 56, 8607-8610
7710672 CIFC24 H88.5 Cl2 K2 N30 O59.5 V6P a -321.034; 21.034; 21.034
90; 90; 90		9306.05Xie, Zhenlang; An, Dongli; Weng, Weizheng; Zhou, Zhao-Hui
Successive constructions of regular tetra-, hexa- and octanuclear microporous polyoxovanadates(III) for gas adsorptions
Dalton Transactions, 2022
7221052 CIFC240 H144 Br4 Cd24 K4 N192 O48P a -320.6387; 20.6387; 20.6387
90; 90; 90		8791.2Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping
Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks
CrystEngComm, 2015, 17, 6103
4335948 CIFC241 H289 Cl3 N48 O24 Pd24P a -329.4972; 29.4972; 29.4972
90; 90; 90		25665.1Claire A. Murray; Christine J. Cardin; Barnaby W. Greenland; Andrew Swift; Howard M. Colquhoun
Pairwise Assembly of Organopalladium(II) Units with Cyanurato(3-) and Trithiocyanurato(3-) Ligands: Formation of Chiral Pd12, Pd10, and Pd9 Cage-Molecules
Inorganic Chemistry, 2013, 52, 10424-10430
7107553 CIFC254 H318 Ag6 N24 O18 P12 S6P a -339.4527; 39.4527; 39.4527
90; 90; 90		61409Nicola Giri; William Clegg; Ross W. Harrington; Peter N. Horton; Michael B. Hursthouse; Stuart L. James
Selective formation of a polar incomplete coordination cage induced by remote ligand substituents
Chem.Commun., 2012, 48, 4061
4346051 CIFC256.48 H117.936 Cl39.312 Cu19.656 N49.616 O112 Zr24P a -326.08867; 26.08867; 26.08867
90; 90; 90		17756.4Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R.
Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts.
Inorganic chemistry, 2015, 54, 2995-3005
4063340 CIFC258 H330 N18 O6 Sr6P a -328.6787; 28.6787; 28.6787
90; 90; 90		23587.3Merle Arrowsmith; Michael S. Hill; Gabriele Kociok-Kḧon
Dearomatization and C‒H Deprotonation with Heavier Group 2 Alkyls: Does Size Matter?
Organometallics, 2010, 29, 4203-4206
7710087 CIFC26 H35 Br3 Co N PP a -317.8695; 17.8695; 17.8695
90; 90; 90		5706.07Lv, Wei; Cui, Hui-Hui; Chen, Lei; Zhang, Yi-Quan; Chen, Xue-tai; Wang, Zhenxing; Ouyang, Zhongwen; Xue, Zi-Ling
Magnetic anisotropy of two tetrahedral Co(II)-halide complexes with triphenylphosphine ligands
Dalton Transactions, 2022
3000231 On hold until 2019-09-26C26 H35 Br3 N Ni PP a -317.7361; 17.7361; 17.7361
90; 90; 90		5579.23Francois Baril-Robert Nicolas Belanger-Desmarais, Christian Reber
To be published
7710086 CIFC26 H35 Cl3 Co N PP a -317.5892; 17.5892; 17.5892
90; 90; 90		5441.75Lv, Wei; Cui, Hui-Hui; Chen, Lei; Zhang, Yi-Quan; Chen, Xue-tai; Wang, Zhenxing; Ouyang, Zhongwen; Xue, Zi-Ling
Magnetic anisotropy of two tetrahedral Co(II)-halide complexes with triphenylphosphine ligands
Dalton Transactions, 2022
4061560 CIFC26 H45 P3 RuP a -317.555; 17.555; 17.555
90; 90; 90		5410.1Organometallics, 2005
2008541 CIF
HKL
Paper		C27 H36 Cl4 Fe2 N6P a -318.793; 18.793; 18.793
90; 90; 90		6637.3Alcock, Nathaniel W.; Zhang, Delong; Busch, Daryle H.
Tris(2-pyridylmethyl)triazacyclododecane complexes of Fe^II^ and Cu^II^
Acta Crystallographica Section C, 1999, 55, 886-889
7242259 CIFC27 H39 N3 O9P a -318.2873; 18.2873; 18.2873
90; 90; 90		6115.74Raynal, Matthieu; Li, Yan; Troufflard, Claire; Przybylski, Cédric; Gontard, Geoffrey; Maistriaux, Thomas; Idé, Julien; Lazzaroni, Roberto; Bouteiller, Laurent; Brocorens, Patrick
Experimental and computational diagnosis of the fluxional nature of a benzene-1,3,5-tricarboxamide-based hydrogen-bonded dimer
Physical Chemistry Chemical Physics, 2021
4080465 CIFC28 H22 N6 Ni O2P a -325.029; 25.029; 25.029
90; 90; 90		15679Tan, Kel Vin; Dutton, Jason L.; Skelton, Brian W.; Wilson, David J. D.; Barnard, Peter J.
Nickel(II) and Palladium(II) Complexes with Chelating N-Heterocyclic Carbene Amidate Ligands: Interplay between Normal and Abnormal Coordination Modes
Organometallics, 2013, 32, 1913
4080468 CIFC29 H26 N6 O3 PdP a -325.205; 25.205; 25.205
90; 90; 90		16013Tan, Kel Vin; Dutton, Jason L.; Skelton, Brian W.; Wilson, David J. D.; Barnard, Peter J.
Nickel(II) and Palladium(II) Complexes with Chelating N-Heterocyclic Carbene Amidate Ligands: Interplay between Normal and Abnormal Coordination Modes
Organometallics, 2013, 32, 1913
1535649 CIFC3 GaP a -314.065; 14.065; 14.065
90; 90; 90		2782.4Bukovec, P.
Untersuchungen von Fluorometallaten(III), 11. Mitt.: Synthese und Kristallstruktur von Guanidinium Hexafluoroaluminat, -gallat und -indat
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-), 1983, 114, 277-279
2001527 CIF
Paper		C3 H12 F6 Ga N9P a -314.073; 14.073; 14.073
90; 90; 90		2787.1Małuszyńska, H.
Structure of guanidinium hexafluorogallate, [C(NH~2~)~3~]~3~GaF~6~
Acta Crystallographica Section C, 1993, 49, 1335-1336
1000413 CIFC3 H18 F6 Fe N9P a -314.13; 14.13; 14.13
90; 90; 90		2821.2Fourquet, J L; Plet, F; Calage, Y; DePape, R
Crystal structure and magnetic characterization of (C (N H2)3)3 Fe F6
Journal of Solid State Chemistry, 1987, 69, 76-80
2020790 CIF
HKL
Paper		C3 H18 F6 N9 VP a -314.095; 14.095; 14.095
90; 90; 90		2800.2Black, Cameron; Lightfoot, Philip
Crystal structure of guanidinium hexafluoridovanadate(III), (CN~3~H~6~)~3~[VF~6~]: an unusual hybrid compound related to perovskite
Acta Crystallographica Section C, 2017, 73, 244-246
4308933 CIFC3 H3 Br Cu N3 S3P a -311.8847; 11.8847; 11.8847
90; 90; 90		1678.67Dan Li; Wen-Juan Shi; Lei Hou
Coordination Polymers of Copper(I) Halides and Neutral Heterocyclic Thiones with New Coordination Modes
Inorganic Chemistry, 2005, 44, 3907-3913
1518352 CIFC3 H3 Cl Cu N3 S3P a -311.70071; 11.70071; 11.70071
90; 90; 90		1601.9Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K.
Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor
Chem. Sci., 2015, 6, 1465
1518353 CIFC3 H3 Cl Cu N3 S3P a -311.74713; 11.74713; 11.74713
90; 90; 90		1621.05Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K.
Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor
Chem. Sci., 2015, 6, 1465
1518354 CIFC3 H3 Cl Cu N3 S3P a -311.78842; 11.78842; 11.78842
90; 90; 90		1638.2Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K.
Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor
Chem. Sci., 2015, 6, 1465
4308932 CIFC3 H3 Cl Cu N3 S3P a -311.7472; 11.7472; 11.7472
90; 90; 90		1621.07Dan Li; Wen-Juan Shi; Lei Hou
Coordination Polymers of Copper(I) Halides and Neutral Heterocyclic Thiones with New Coordination Modes
Inorganic Chemistry, 2005, 44, 3907-3913
4308934 CIFC3 H3 Cu I N3 S3P a -312.0266; 12.0266; 12.0266
90; 90; 90		1739.52Dan Li; Wen-Juan Shi; Lei Hou
Coordination Polymers of Copper(I) Halides and Neutral Heterocyclic Thiones with New Coordination Modes
Inorganic Chemistry, 2005, 44, 3907-3913
1535653 CIFC3 InP a -314.34; 14.34; 14.34
90; 90; 90		2948.81Bukovec, P.
Untersuchungen von Fluorometallaten(III), 11. Mitt.: Synthese und Kristallstruktur von Guanidinium Hexafluoroaluminat, -gallat und -indat
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-), 1983, 114, 277-279
1557627 CIFC3.5 H1.5 N0.5 O Ti0.17P a -321.1222; 21.1222; 21.1222
90; 90; 90		9423.6Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang
Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity
Chemical Science, 2020, 11, 3978-3985
7221058 CIFC3.93 H0.02 Br0.07 Cd0.39 N3.15 O0.79 Rb0.07P a -320.6704; 20.6704; 20.6704
90; 90; 90		8831.7Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping
Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks
CrystEngComm, 2015, 17, 6103
1557532 CIFC30 Al2 F55 Mo O12P a -317.285; 17.285; 17.285
90; 90; 90		5164.3Bohnenberger, 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, 3592-3603
1557534 CIFC30 Al2 F55 O12 WP a -317.3168; 17.3168; 17.3168
90; 90; 90		5192.82Bohnenberger, 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, 3592-3603
7221055 CIFC30 H18 Cd3 Cl0.5 N24 Na0.5 O6P a -320.5415; 20.5415; 20.5415
90; 90; 90		8667.6Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping
Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks
CrystEngComm, 2015, 17, 6103
4130622 CIFC30 H18 N0 O13 Zn4P a -321.2832; 21.2832; 21.2832
90; 90; 90		9640.7Jiang, Juncong; Furukawa, Hiroyasu; Zhang, Yue-Biao; Yaghi, Omar M.
High Methane Storage Working Capacity in Metal-Organic Frameworks with Acrylate Links.
Journal of the American Chemical Society, 2016, 138, 10244-10251
7051413 CIFC30 H30 B Cu F6 N6 O P S3P a -327.283; 27.283; 27.283
90; 90; 90		20308.4New Journal of Chemistry, 1999
7012155 CIFC30 H30 F21 O6 SbP a -319.818; 19.818; 19.818
90; 90; 90		7783.6Horley, Graeme A.; Mahon, Mary F.; Mazhar, Muhammed; Molloy, Kieran C.; Haycock, Peter W.; Myers, Christopher P.
Antimony ??-diketonates and alkoxide/??-diketonates: remarkable formation of a 3,4-dihydro-2H-pyran ring by coupling of 1,1,1,5,5,5-hexafluoro-2,4-pentanedione ligands
Journal of the Chemical Society, Dalton Transactions, 2002, 4416
7029497 CIFC30 H42 Cd Cl2 N12 O18.5P a -317.542; 17.542; 17.542
90; 90; 90		5398Chen, Shui-Sheng; Wang, Peng; Takamizawa, Satoshi; Okamura, Taka-Aki; Chen, Min; Sun, Wei-Yin
Zinc(ii) and cadmium(ii) metal-organic frameworks with 4-imidazole containing tripodal ligand: sorption and anion exchange properties.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 6012-6020
7249263 CIFC30 H51 Br Cl3 Cu3 N6 S4 WP a -319.6933; 19.6933; 19.6933
90; 90; 90		7637.6Xu, Meng-Yuan; Wu, Qian; Wang, Chen; Sun, Yao; Teng, Yu-Kang; Zhang, Rui; Lu, Zhenzhong
Coordination polymers and supramolecular cages based on [(MS4)Cux]x-2 cluster units and N-containing ligands
CrystEngComm, 2024
7249262 CIFC30 H51 Cu3 I4 N6 S4 WP a -320.0824; 20.0824; 20.0824
90; 90; 90		8099.3Xu, Meng-Yuan; Wu, Qian; Wang, Chen; Sun, Yao; Teng, Yu-Kang; Zhang, Rui; Lu, Zhenzhong
Coordination polymers and supramolecular cages based on [(MS4)Cux]x-2 cluster units and N-containing ligands
CrystEngComm, 2024
4107626 CIFC30 H57 Cr2 N21 Ni3 O3P a -320.9742; 20.9742; 20.9742
90; 90; 90		9226.9Masaaki Ohba; Wakako Kaneko; Susumu Kitagawa; Takuho Maeda; Masaki Mito
Pressure Response of Three-Dimensional Cyanide-Bridged Bimetallic Magnets
Journal of the American Chemical Society, 2008, 130, 4475-4484
1520587 CIFC31 H45.67 Al N2 O3P a -326.2561; 26.2561; 26.2561
90; 90; 90		18100.5Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.
Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide
Chem. Sci., 2015, 6, 5034
4301558 CIFC31 H47 La OP a -317.7403; 17.7403; 17.7403
90; 90; 90		5583.2William J. Evans; Sara E. Lorenz; Joseph W. Ziller
Investigating Metal Size Effects in the Ln2(μ-η2:η2-N2) Reduction System: Reductive Reactivity with Complexes of the Largest and Smallest Trivalent Lanthanide Ions, La3+ and Lu3+
Inorganic Chemistry, 2009, 48, 2001-2009
4501103 CIFC316 H328 Cl24 N84 O102 Zn12P a -327.689; 27.689; 27.689
90; 90; 90		21229Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong
Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand
Crystal Growth & Design, 2011, 11, 4876
7707117 CIFC318 H366 Co30 N30 O90 S24P a -337.3887; 37.3887; 37.3887
90; 90; 90		52266.2Zhang, Kai; Du, Shao-Wu
A novel series of giant cobalt-calixarene macrocycles: ring-expansion and modulation of pore apertures through recrystallization.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 6181-6187
4107383 CIFC32.55 H13 Co1.5 N2 O23.3P a -339.288; 39.288; 39.288
90; 90; 90		60643Amy J. Cairns; Jason A. Perman; Lukasz Wojtas; Victor Ch. Kravtsov; Mohamed H. Alkordi; Mohamed Eddaoudi; Michael J. Zaworotko
Supermolecular Building Blocks (SBBs) and Crystal Design: 12-Connected Open Frameworks Based on a Molecular Cubohemioctahedron
Journal of the American Chemical Society, 2008, 130, 1560-1561
1568752 CIFC324 H228 Ag16 As8 O26P a -331.0591; 31.0591; 31.0591
90; 90; 90		29961.7Wang, Hao-Hai; Wei, Jianyu; Bigdeli, Fahime; Rouhani, Farzaneh; Su, Hai-Feng; Wang, Ling-Xiao; Kahlal, Samia; Halet, Jean-François; Saillard, Jean-Yves; Morsali, Ali; Liu, Kuan-Guan
Monocarboxylate-protected two-electron <i>superatomic</i> silver nanoclusters with high photothermal conversion performance.
Nanoscale, 2023, 15, 8245-8254
1568753 CIFC324 H228 Ag16 O26 P8P a -330.8121; 30.8121; 30.8121
90; 90; 90		29252.6Wang, Hao-Hai; Wei, Jianyu; Bigdeli, Fahime; Rouhani, Farzaneh; Su, Hai-Feng; Wang, Ling-Xiao; Kahlal, Samia; Halet, Jean-François; Saillard, Jean-Yves; Morsali, Ali; Liu, Kuan-Guan
Monocarboxylate-protected two-electron <i>superatomic</i> silver nanoclusters with high photothermal conversion performance.
Nanoscale, 2023, 15, 8245-8254
2008723 CIF
Paper		C33 H33 N3 O3P a -317.862; 17.862; 17.862
90; 90; 90		5698.9Herbstein, Frank H.
<i>N</i>,<i>N</i>',<i>N</i>''-Trimethyl-<i>N</i>,<i>N</i>',<i>N</i>''-tris(3-methylphenyl)-1,3,5-benzenetricarboxamide is cubic (space group <i>Pa</i>øverline{3}) and not orthorhombic (space group <i>Pbca</i>). Erratum
Acta Crystallographica Section C, 1999, 55, 1196
7022369 CIFC34 H20 Cu2 N2 O10P a -339.484; 39.484; 39.484
90; 90; 90		61555Lu, Weigang; Yuan, Daqiang; Makal, Trevor A.; Wei, Zhangwen; Li, Jian-Rong; Zhou, Hong-Cai
Highly porous metal-organic framework sustained with 12-connected nanoscopic octahedra.
Dalton transactions (Cambridge, England : 2003), 2013, 42, 1708-1714
7103531 CIFC36 H102 Cl4 Mn22 N36 O59P a -321.65; 21.65; 21.65
90; 90; 90		10147.8Nayak, Sanjit; Lan, Yanhua; Clérac, Rodolphe; Anson, Christopher E; Powell, Annie K
Concentric Archimedean polyhedra: Mn(III)(12)Mn(II)(9) aggregates linked into a cubic network.
Chemical communications (Cambridge, England), 2008, 5698-5700
4320272 CIFC36 H104 As2 Cl8 Mo6 N24 O49 Pd2 S8P a -321.7016; 21.7016; 21.7016
90; 90; 90		10220.6Maxim N. Sokolov; Alexander V.Virovets; Danil N. Dybtsev; Elena V. Chubarova; Vladimir P.Fedin; Dieter Fenske
Phosphorous Acid and Arsenious Acid as Ligands
Inorganic Chemistry, 2001, 40, 4816-4817
4320271 CIFC36 H106 Cl8 Mo6 N24 O50 P2 Pd2 S8P a -321.669; 21.669; 21.669
90; 90; 90		10175Maxim N. Sokolov; Alexander V.Virovets; Danil N. Dybtsev; Elena V. Chubarova; Vladimir P.Fedin; Dieter Fenske
Phosphorous Acid and Arsenious Acid as Ligands
Inorganic Chemistry, 2001, 40, 4816-4817
2001612 CIF
Paper		C36 H15 Au O18 P Rh3 Ru3P a -320.647; 20.647; 20.647
90; 90; 90		8802Pursiainen, J.; Pakkanen, T. A.; Ahlgrén, M.; Valkonen, J.
Structures of the monoclinic form of Ph~3~PAuRuRh~3~(CO)~12~ (I) and its cubic form with Ru~3~(CO)~12~ (II)
Acta Crystallographica Section C, 1993, 49, 1142-1146
4302887 CIFC36 H158 Al8 N12 Na2 O98 P24P a -324.1955; 24.1955; 24.1955
90; 90; 90		14164.6Zi-Yi Du; Yu-Hui Sun; Qing-Yan Liu; Yong-Rong Xie; He-Rui Wen
Octanuclear Aluminum(III) and Iron(III) Phosphonate Cages Encapsulating Two NaI Ions
Inorganic Chemistry, 2009, 48, 7015-7017
4302886 CIFC36 H162 Fe8 N12 Na2 O100 P24P a -324.453; 24.453; 24.453
90; 90; 90		14622Zi-Yi Du; Yu-Hui Sun; Qing-Yan Liu; Yong-Rong Xie; He-Rui Wen
Octanuclear Aluminum(III) and Iron(III) Phosphonate Cages Encapsulating Two NaI Ions
Inorganic Chemistry, 2009, 48, 7015-7017
7236565 CIFC36 H25 O8 Pb6 S12P a -319.8841; 19.8841; 19.8841
90; 90; 90		7861.72Huang, Jiahong; He, Yonghe; Yao, Ming-Shui; He, Jun; Xu, Gang; Zeller, Matthias; Xu, Zhengtao
A semiconducting gyroidal metal-sulfur framework for chemiresistive sensing
Journal of Materials Chemistry A, 2017, 5, 16139
7207743 CIFC36 H62 Fe N3 O19 P6P a -322.9238; 22.9238; 22.9238
90; 90; 90		12046.5Maxim, Catalin; Branzea, Diana; Allain, Magali; Andruh, Marius; Clérac, Rodolphe; Iorga, Bogdan I.; Avarvari, Narcis
Cyanomethylene-bis(phosphonate) as ditopical ligand: stepwise formation of a 2-D heterometallic Fe(iii)‒Ag(i) coordination network
CrystEngComm, 2012, 14, 3096
2020879 CIF
HKL
Paper		C36 H75 Cl2 Fe7 N6 O26P a -322.0884; 22.0884; 22.0884
90; 90; 90		10776.9van der Horn, Jitschaq A.; Lutz, Martin
Triethanolaminate iron perchlorate revisited: change of space group, chemical composition and oxidation states in [Fe~7~(tea)~3~(tea-H)~3~](ClO~4~)~2~ (tea-H~3~ is triethanolamine)
Acta Crystallographica Section C, 2018, 74
4075082 CIFC37 H48 Ge I3 O3P a -319.9244; 19.9244; 19.9244
90; 90; 90		7909.6Iwanaga, Kohei; Kobayashi, Junji; Kawashima, Takayuki; Takagi, Nozomi; Nagase, Shigeru
Syntheses, Structures, and Reactions of Heptacoordinate Trihalogermanes Bearing a Triarylmethyl-Type Tetradentate Ligand
Organometallics, 2006, 25, 3388
4021982 CIFC39 H45 Br3 O3P a -319.732; 19.732; 19.732
90; 90; 90		7683.2Mao-Sen Yuan; Qi Fang; Zhi-Qiang Liu; Jian-Ping Guo; Hong-Yu Chen; Wen-Tao Yu; Gang Xue; Dian-Sheng Liu
Acceptor or Donor (Diaryl B or N) Substituted Octupolar Truxene: Synthesis, Structure, and Charge-Transfer-Enhanced Fluorescence
Journal of Organic Chemistry, 2006, 71, 7858-7861
4322880 CIFC39 H45 Fe2 N22 O15P a -321.0024; 21.0024; 21.0024
90; 90; 90		9264.18Zhiqiang Xu; Laurence K. Thompson; David O. Miller; Howard J. Clase; Judith A. K. Howard; Andrés E. Goeta
Spiral Dinuclear Complexes of Tetradentate N4 Diazine Ligands with Mn(II), Fe(II), Fe(III), Co(III), and Ni(II) Salts
Inorganic Chemistry, 1998, 37, 3620-3627
4021985 CIFC39 H45 I3 O3P a -319.844; 19.844; 19.844
90; 90; 90		7814Mao-Sen Yuan; Qi Fang; Zhi-Qiang Liu; Jian-Ping Guo; Hong-Yu Chen; Wen-Tao Yu; Gang Xue; Dian-Sheng Liu
Acceptor or Donor (Diaryl B or N) Substituted Octupolar Truxene: Synthesis, Structure, and Charge-Transfer-Enhanced Fluorescence
Journal of Organic Chemistry, 2006, 71, 7858-7861
4110725 CIFC39 H54 K2 N6 O12 TiP a -320.9569; 20.9569; 20.9569
90; 90; 90		9204.1Anna V. Davis; Timothy K. Firman; Benjamin P. Hay; Kenneth N. Raymond
d-Orbital Effects on Stereochemical Non-Rigidity: Twisted TiIV Intramolecular Dynamics
Journal of the American Chemical Society, 2006, 128, 9484-9496
4134359 CIFC39 H63 La N3 Ni P3P a -320.8114; 20.8114; 20.8114
90; 90; 90		9013.7Ramirez, Bianca L.; Lu, Connie C.
Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.
Journal of the American Chemical Society, 2020
2202247 CIF
HKL
Paper		C4 H12 PbP a -311.1725; 11.1725; 11.1725
90; 90; 90		1394.6Holger Fleischer; Simon Parsons; Colin R. Pulham
Tetramethyllead(IV) at 150K
Acta Crystallographica Section E, 2003, 59, m11-m13
4503063 CIFC4 H12 SiP a -310.7328; 10.7328; 10.7328
90; 90; 90		1236.3Gajda, Roman; Katrusiak, Andrzej
The Interplay of Molecular Conformation and Crystal Packing in Pressure-Frozen Tetramethylsilane
Crystal Growth & Design, 2008, 8, 211
4303520 CIFC4 H6 As F6 I N2P a -310.1087; 10.1087; 10.1087
90; 90; 90		1032.97Margaret-Jane Crawford; Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Jan M. Welch
Does [I3]+ Act as an "[I]+" Donor to CH3CN and N2O? Structure of [H3CCN-I-NCCH3]+[AsF6]-
Inorganic Chemistry, 2009, 48, 9983-9985
4113398 CIFC4 H6 Au F6 N2 PP a -39.8097; 9.8097; 9.8097
90; 90; 90		943.99Rochelle L. White-Morris; Marilyn M. Olmstead; Alan L. Balch
Aurophilic Interactions in Cationic Gold Complexes with Two Isocyanide Ligands. Polymorphic Yellow and Colorless Forms of [(Cyclohexyl Isocyanide)2AuI](PF6) with Distinct Luminescence
Journal of the American Chemical Society, 2003, 125, 1033-1040
2310876 CIFC4 Ni O4P a -310.84; 10.84; 10.84
90; 90; 90		1273.76Ladell, J.; Post, B.; Fankuchen, I.
The Crystal Structure of Nickel Carbonyl, Ni (C O)4
Acta Crystallographica (1,1948-23,1967), 1952, 5, 795-800
7114781 CIFC40 H20 Cl F18 Ir N3 O0P a -325.01; 25.01; 25.01
90; 90; 90		15644Grushin, Vladimir V.; Herron, Norman; LeCloux, Daniel D.; Marshall, William J.; Petrov, Viacheslav A.; Wang, Ying
New, efficient electroluminescent materials based on organometallic Ir complexes
Chemical Communications, 2001, 1494
4075081 CIFC40 H51 Br3 Ge O3P a -319.7087; 19.7087; 19.7087
90; 90; 90		7655.5Iwanaga, Kohei; Kobayashi, Junji; Kawashima, Takayuki; Takagi, Nozomi; Nagase, Shigeru
Syntheses, Structures, and Reactions of Heptacoordinate Trihalogermanes Bearing a Triarylmethyl-Type Tetradentate Ligand
Organometallics, 2006, 25, 3388
1571734 CIFC40 H60 Os4 UP a -321.395; 21.395; 21.395
90; 90; 90		9793.5Ye, Christopher Z.; Del Rosal, Iker; Kelly, Sheridon N.; Brackbill, I. Joseph; Maron, Laurent; Camp, Clément; Arnold, John
Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes.
Chemical science, 2024, 15, 9784-9792
7034073 CIFC40 H63 N3 O TiP a -319.7299; 19.7299; 19.7299
90; 90; 90		7680.2Spinney, Heather A.; Clough, Christopher R.; Cummins, Christopher C.
The titanium tris-anilide cation [Ti(N[(t)Bu]Ar)3](+) stabilized as its perfluoro-tetra-phenylborate salt: structural characterization and synthesis in connection with redox activity of 4,4'-bipyridine dititanium complexes.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 6784-6796
4340651 CIFC42 H20 O22 S3 Zr3P a -326.3478; 26.3478; 26.3478
90; 90; 90		18290.8Wang, Bin; Huang, Hongliang; Lv, Xiu-Liang; Xie, Yabo; Li, Ming; Li, Jian-Rong
Tuning CO2 Selective Adsorption over N2 and CH4 in UiO-67 Analogues through Ligand Functionalization.
Inorganic chemistry, 2014, 53, 9254-9259
4111647 CIFC42 H24 N2 O13 Zn4P a -322.393; 22.393; 22.393
90; 90; 90		11229Eun Young Lee; Seung Yeon Jang; Myunghyun Paik Suh
Multifunctionality and Crystal Dynamics of a Highly Stable, Porous Metal-Organic Framework [Zn4O(NTB)2]
Journal of the American Chemical Society, 2005, 127, 6374-6381
7103189 CIFC42 H31 O18 P2 Zn3P a -322.9079; 22.9079; 22.9079
90; 90; 90		12021.4Humphrey, Simon M; Oungoulian, Shaunt E; Yoon, Ji Woong; Hwang, Young Kyu; Wise, Erica R; Chang, Jong-San
Hysteretic sorption of light gases by a porous metal-organic framework containing tris(para-carboxylated) triphenylphosphine oxide.
Chemical communications (Cambridge, England), 2008, 2891-2893
4318827 CIFC42 H42 B4 F16 N12 Ni2P a -321.98; 21.98; 21.98
90; 90; 90		10619Guo Dong; Pang Ke-liang; Duan Chun-ying; He Cheng; Meng Qing-jin
Design and Crystal Structures of Triple Helicates with Crystallographic Idealized D3 Symmetry: The Role of Side Chain Effect on Crystal Packing
Inorganic Chemistry, 2002, 41, 5978-5985
4318826 CIFC42 H44 B4 Co2 F16 N12 OP a -321.982; 21.982; 21.982
90; 90; 90		10622Guo Dong; Pang Ke-liang; Duan Chun-ying; He Cheng; Meng Qing-jin
Design and Crystal Structures of Triple Helicates with Crystallographic Idealized D3 Symmetry: The Role of Side Chain Effect on Crystal Packing
Inorganic Chemistry, 2002, 41, 5978-5985
4318825 CIFC42 H46 B4 F16 N12 O2 Zn2P a -322.0634; 22.0634; 22.0634
90; 90; 90		10740.3Guo Dong; Pang Ke-liang; Duan Chun-ying; He Cheng; Meng Qing-jin
Design and Crystal Structures of Triple Helicates with Crystallographic Idealized D3 Symmetry: The Role of Side Chain Effect on Crystal Packing
Inorganic Chemistry, 2002, 41, 5978-5985
7004780 CIFC42 H54 F5 N O15 Th3P a -321.247; 21.247; 21.247
90; 90; 90		9592Ok, Kang Min; O'Hare, Dermot
Synthesis, structure, and characterization of a new thorium‒organic framework material, Th3F5[(C10H14)(CH2CO2)2]3(NO3)
Dalton Transactions, 2008, 5560-5562
4310022 CIFC42 H84 Co Li3 O3 Si6P a -318.8534; 18.8534; 18.8534
90; 90; 90		6701.5Louise A. Berben; Jeffrey R. Long
Homoleptic Trimethylsilylacetylide Complexes of Chromium(III), Iron(II), and Cobalt(III): Syntheses, Structures, and Ligand Field Parameters
Inorganic Chemistry, 2005, 44, 8459-8468
7203336 CIFC42.5 H84 F3 Fe8 N4 O28P a -322.8942; 22.8942; 22.8942
90; 90; 90		11999.9Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Berry, Kevin J.; Boas, John F.; Pilbrow, John R.; Murray, Keith S.
Heptanuclear iron(iii) triethanolamine clusters exhibiting ?millennium dome?-like topologies and an octanuclear analogue with ground spin states of S = 5/2 and 0, respectively
Journal of Materials Chemistry, 2006, 16, 2690
4063341 CIFC43 H55 Ba N3 OP a -328.7452; 28.7452; 28.7452
90; 90; 90		23751.8Merle Arrowsmith; Michael S. Hill; Gabriele Kociok-Kḧon
Dearomatization and C–H Deprotonation with Heavier Group 2 Alkyls: Does Size Matter?
Organometallics, 2010, 29, 4203-4206
4340650 CIFC45 H20 O19 Zr3P a -326.0512; 26.0512; 26.0512
90; 90; 90		17680Wang, Bin; Huang, Hongliang; Lv, Xiu-Liang; Xie, Yabo; Li, Ming; Li, Jian-Rong
Tuning CO2 Selective Adsorption over N2 and CH4 in UiO-67 Analogues through Ligand Functionalization.
Inorganic chemistry, 2014, 53, 9254-9259
7115725 CIFC45 H24 Cl3 N3 O16 Zn4P a -325.384; 25.384; 25.384
90; 90; 90		16356.1Dau, Phuong V.; Cohen, Seth M.
Modulating H~2~ sorption in metal‒organic frameworks via ordered functional groups
Chemical Communications (Cambridge, United Kingdom), 2014, 50, 12154-12157
7115721 CIFC45 H27 N3 O16 Zn4P a -325.5775; 25.5775; 25.5775
90; 90; 90		16733Dau, Phuong V.; Cohen, Seth M.
Modulating H~2~ sorption in metal‒organic frameworks via ordered functional groups
Chemical Communications (Cambridge, United Kingdom), 2014, 50, 12154-12157
4333418 CIFC45 H48 Cl N9 Ni2 O7P a -320.9553; 20.9553; 20.9553
90; 90; 90		9202Chaudhuri, Phalguni; Weyhermüller, Thomas; Wagner, Rita; Khanra, Sumit; Biswas, Biplab; Bothe, Eberhard; Bill, Eckhard
Tridentate Facial Ligation of Tris(pyridine-2-aldoximato)nickel(II) and Tris(imidazole-2-aldoximato)nickel(II) To Generate NiIIFeIIINiII, MnIIINiII, NiIINiII, and ZnIINiIIand the Electrooxidized MnIVNiII, NiIINiIII, and ZnIINiIIISpecies: A Magnetostructural, Electrochemical, and EPR Spectroscopic Study
Inorganic Chemistry, 2007, 46, 9003-9016
4325112 CIFC45 H51 Cl Co Hf I N3 P3P a -320.818; 20.818; 20.818
90; 90; 90		9022.3Vinay N. Setty; Wen Zhou; Bruce M. Foxman; Christine M. Thomas
Subtle Differences Between Zr and Hf in Early/Late Heterobimetallic Complexes with Cobalt
Inorganic Chemistry, 2011, 50, 4647-4655
1513867 CIFC45 H51 Co Cr I N3 P3P a -320.6768; 20.6768; 20.6768
90; 90; 90		8839.95Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.
A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes
Chemical Science, 2014, 5, 1617
1513866 CIFC45 H51 Cr Fe I N3 P3P a -320.6666; 20.6666; 20.6666
90; 90; 90		8826.9Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.
A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes
Chemical Science, 2014, 5, 1617
7118678 CIFC48 Cu16 Se31 Sn6P a -321.7015; 21.7015; 21.7015
90; 90; 90		10220.4Yang, Huajun; Wang, Le; Hu, Dandan; Lin, Jian; Luo, Li; Wang, Hongxiang; Wu, Tao
A novel copper-rich open-framework chalcogenide constructed from octahedral Cu4Se6 and icosahedral Cu8Se13 nanoclusters.
Chemical communications (Cambridge, England), 2016, 52, 4140-4143
4317359 CIFC48 H30 N12 O13 Zn4P a -327.26; 27.26; 27.26
90; 90; 90		20257Qian-Rong Fang; Da-Qian Yuan; Julian Sculley; Jian-Rong Li; Zheng-Bo Han; Hong-Cai Zhou
Functional Mesoporous Metal-Organic Frameworks for the Capture of Heavy Metal Ions and Size-Selective Catalysis
Inorganic Chemistry, 2010, 49, 11637-11642
7103146 CIFC48 H40 N10 O12 Zn4P a -322.4395; 22.4395; 22.4395
90; 90; 90		11299Qin, Ye-Yan; Zhang, Jian; Li, Zhao-Ji; Zhang, Lei; Cao, Xin-Yi; Yao, Yuan-Gen
Organically templated metal-organic framework with 2-fold interpenetrated {3(3).5(9).6(3)}-lcy net.
Chemical communications (Cambridge, England), 2008, 2532-2534
7103147 CIFC48 H40 N10 O12 Zn4P a -322.3381; 22.3381; 22.3381
90; 90; 90		11146.5Qin, Ye-Yan; Zhang, Jian; Li, Zhao-Ji; Zhang, Lei; Cao, Xin-Yi; Yao, Yuan-Gen
Organically templated metal-organic framework with 2-fold interpenetrated {3(3).5(9).6(3)}-lcy net.
Chemical communications (Cambridge, England), 2008, 2532-2534
4312648 CIFC48 H45 Ag Au B2 F8 N6 P3P a -321.535; 21.535; 21.535
90; 90; 90		9987Vincent J. Catalano; Stephen J. Horner
Luminescent Gold(I) and Silver(I) Complexes of 2-(Diphenylphosphino)-1-methylimidazole (dpim): Characterization of a Three-Coordinate Au(I)-Ag(I) Dimer with a Short Metal-Metal Separation
Inorganic Chemistry, 2003, 42, 8430-8438
4125038 CIFC48 H48.87 Ag3 Cd N7 O3.44 P2P a -321.7394; 21.7394; 21.7394
90; 90; 90		10274.1Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.
Dicyanometallates as Model Extended Frameworks.
Journal of the American Chemical Society, 2016, 138, 5886-5896
4089392 CIFC48 H60 Al4 O6P a -321.0954; 21.0954; 21.0954
90; 90; 90		9387.8Bakthavachalam, K.; Reddy, N. Dastagiri
Synthesis of Aluminum Complexes of Triaza Framework Ligands and Their Catalytic Activity toward Polymerization of ε-Caprolactone
Organometallics, 2013, 32, 3174
4131322 CIFC48 H60 Fe N3 Nb P4P a -321.1756; 21.1756; 21.1756
90; 90; 90		9495.3Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond.
Journal of the American Chemical Society, 2017, 139, 9627-9636
4509368 CIFC48 H60 Li2 N20 O11 SP a -317.7871; 17.7871; 17.7871
90; 90; 90		5627.5Custelcean, Radu; Remy, Priscilla
Selective Crystallization of Urea-Functionalized Capsules with Tunable Anion-Binding Cavities
Crystal Growth & Design, 2009, 9, 1985
4509366 CIFC48 H60 Li2 N20 O12 SP a -317.7907; 17.7907; 17.7907
90; 90; 90		5630.9Custelcean, Radu; Remy, Priscilla
Selective Crystallization of Urea-Functionalized Capsules with Tunable Anion-Binding Cavities
Crystal Growth & Design, 2009, 9, 1985
4509367 CIFC48 H60 Li2 N20 O12 SeP a -317.9112; 17.9112; 17.9112
90; 90; 90		5746.1Custelcean, Radu; Remy, Priscilla
Selective Crystallization of Urea-Functionalized Capsules with Tunable Anion-Binding Cavities
Crystal Growth & Design, 2009, 9, 1985
7026930 CIFC48 H75 B3 Cu6 F12 N12 O15P a -323.8313; 23.8313; 23.8313
90; 90; 90		13534.5Karmakar, Sibasree; Das, Oindrila; Ghosh, Subhamoy; Zangrando, Ennio; Johann, Mara; Rentschler, Eva; Weyhermüller, Thomas; Khanra, Sumit; Paine, Tapan Kanti
Hexanuclear copper(II) cage with {Cu3O···H···OCu3} core supported by a dicompartmental oxime ligand with m-xylyl spacer: synthesis, molecular structure and magnetic studies.
Dalton transactions (Cambridge, England : 2003), 2010, 39, 10920-10927
7026931 CIFC48 H75 Cl3 Cu6 N12 O27P a -323.96; 23.96; 23.96
90; 90; 90		13755Karmakar, Sibasree; Das, Oindrila; Ghosh, Subhamoy; Zangrando, Ennio; Johann, Mara; Rentschler, Eva; Weyhermüller, Thomas; Khanra, Sumit; Paine, Tapan Kanti
Hexanuclear copper(II) cage with {Cu3O···H···OCu3} core supported by a dicompartmental oxime ligand with m-xylyl spacer: synthesis, molecular structure and magnetic studies.
Dalton transactions (Cambridge, England : 2003), 2010, 39, 10920-10927
7037073 CIFC48 H93 Fe8 N13 O27P a -324.088; 24.088; 24.088
90; 90; 90		13976.6Botezat, Olga; van Leusen, Jan; Ch Kravtsov, Victor; Ellern, Arkady; Kögerler, Paul; Baca, Svetlana G.
Iron(iii) carboxylate/aminoalcohol coordination clusters with propeller-shaped Fe8 cores: approaching reasonable exchange energies.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 20753-20762
1100901 CIFC48 H93 Ge K N3 P3 Si6P a -323.4873; 23.4873; 23.4873
90; 90; 90		12956.8Izod, Keith; McFarlane, William; Allen, Ben; Clegg, William; Harrington, Ross W.
An Intramolecularly Base-Stabilized Diphosphagermylene and Two Unusual Germanium(II) Ate Complexes: A Structural, NMR, and DFT Study
Organometallics, 2005, 24, 2157-2167
7110751 CIFC48.5 H139 Ga4 Ge5 O0.5 Si15P a -326.975; 26.975; 26.975
90; 90; 90		19628Linti, Gerald; Rodig, Alexander
Facile synthesis and crystal structure of a Ga22R8 cluster
Chemical Communications, 2000, 127
7015567 CIFC49 H48 Gd3 N9 O39.5 S3.5P a -324.4761; 24.4761; 24.4761
90; 90; 90		14663.1Zebret, Soumaila; Torres, Elena; Terreno, Enzo; Guénée, Laure; Senatore, Carmine; Hamacek, Josef
Structure, stability and relaxivity of trinuclear triangular complexes.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 4284-4290
4108982 CIFC49 H54 Cl2 D2 Ir2 OP a -316.2538; 16.2538; 16.2538
90; 90; 90		4294.03Kevin C. Fortner; David S. Laitar; John Muldoon; Lihung Pu; Sonja B. Braun-Sand; Olaf Wiest; Seth N. Brown
Ultrafast and Ultraslow Oxygen Atom Transfer Reactions between Late Metal Centers
Journal of the American Chemical Society, 2007, 129, 588-600
4116775 CIFC49 H57 Co N3 O3 P Si4 ZrP a -322.013; 22.013; 22.013
90; 90; 90		10666.9Georg Jansen; Martin Schubart; Bernd Findeis; Lutz H. Gade; Ian J. Scowen; Mary McPartlin
Unsupported Ti-Co and Zr-Co Bonds in Heterobimetallic Complexes: A Theoretical Description of Metal-Metal Bond Polarity
Journal of the American Chemical Society, 1998, 120, 7239-7251
7057618 CIFC50 H38 K N12 O14 Zn2P a -319.63; 19.63; 19.63
90; 90; 90		7564Zhao, Yan-Ning; Zhang, Shu-Ran; Wang, Wei; Xu, Yan-Hong; Che, Guang-Bo
A 3D metal‒organic framework with dual-aerial-octahedral trinucleate building units: synthesis, structure and fluorescence sensing properties
New Journal of Chemistry, 2018, 42, 14648
7001000 CIFC50.5 H38.5 Cl Mn3 N6.5 O11P a -320.9914; 20.9914; 20.9914
90; 90; 90		9249.6Milios, Constantinos J.; Inglis, Ross; Jones, Leigh F.; Prescimone, Alessandro; Parsons, Simon; Wernsdorfer, Wolfgang; Brechin, Euan K.
Constructing clusters with enhanced magnetic properties by assembling and distorting Mn3 building blocks
Dalton Transactions, 2009, 2812-2822
7013974 CIFC51 H52 B Cu N6 P2P a -321.075; 21.075; 21.075
90; 90; 90		9361Gioia Lobbia, Giancarlo; Hanna, John V.; Pellei, Maura; Pettinari, Claudio; Santini, Carlo; Skelton, Brian W.; White, Allan H.
Gold derivatives of scorpionates: comparison with the other coinage metal poly(pyrazolyl)borate analogues.
Dalton transactions (Cambridge, England : 2003), 2004, 951-958
4316969 CIFC51 H54 Er2 N20 O21P a -318.3775; 18.3775; 18.3775
90; 90; 90		6206.7Ji-Jun Jiang; Mei Pan; Jun-Min Liu; Wei Wang; Cheng-Yong Su
Assembly of Robust and Porous Hydrogen-Bonded Coordination Frameworks: Isomorphism, Polymorphism, and Selective Adsorption
Inorganic Chemistry, 2010, 49, 10166-10173
4316968 CIFC51 H54 Gd2 N20 O21P a -318.2412; 18.2412; 18.2412
90; 90; 90		6069.6Ji-Jun Jiang; Mei Pan; Jun-Min Liu; Wei Wang; Cheng-Yong Su
Assembly of Robust and Porous Hydrogen-Bonded Coordination Frameworks: Isomorphism, Polymorphism, and Selective Adsorption
Inorganic Chemistry, 2010, 49, 10166-10173
4068182 CIFC51 H66 Cr2 N3 P4P a -321.7483; 21.7483; 21.7483
90; 90; 90		10286.7Thapa, Indira; Gambarotta, Sandro; Korobkov, Ilia; Murugesu, Muralee; Budzelaar, Peter
Isolation and Characterization of a Class II Mixed-Valence Chromium(I)/(II) Self-Activating Ethylene Trimerization Catalyst
Organometallics, 2012, 31, 486
4124754 CIFC52 H60 Fe4 N6 O20.33 S1.73P a -317.8048; 17.8048; 17.8048
90; 90; 90		5644.3Nguyen, Nhung T. T.; Furukawa, Hiroyasu; Gándara, Felipe; Trickett, Christopher A.; Jeong, Hyung Mo; Cordova, Kyle E.; Yaghi, Omar M.
Three-Dimensional Metal-Catecholate Frameworks and Their Ultrahigh Proton Conductivity.
Journal of the American Chemical Society, 2015, 137, 15394-15397
1548093 CIFC52.5 H116.5 N5 O6 Rb Si3 UP a -323.7586; 23.7586; 23.7586
90; 90; 90		13411David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle
Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes
Nature Communications, 2016, 7, 13773
4310020 CIFC54 H102 Cr Li3 O6 Si6P a -319.0415; 19.0415; 19.0415
90; 90; 90		6904.04Louise A. Berben; Jeffrey R. Long
Homoleptic Trimethylsilylacetylide Complexes of Chromium(III), Iron(II), and Cobalt(III): Syntheses, Structures, and Ligand Field Parameters
Inorganic Chemistry, 2005, 44, 8459-8468
7023196 CIFC54 H108 Fe N9 O0.42 S6P a -324.1615; 24.1615; 24.1615
90; 90; 90		14105Savard, Didier; Leznoff, Daniel B.
Synthesis, structure and light scattering properties of tetraalkylammonium metal isothiocyanate salts.
Dalton transactions (Cambridge, England : 2003), 2013, 42, 14982-14991
4123452 CIFC54 H36 N6 O13 Zn4P a -325.888; 25.888; 25.888
90; 90; 90		17350Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.
Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.
Journal of the American Chemical Society, 2015, 137, 2641-2650
4317360 CIFC54 H36 N6 O13 Zn4P a -327.3; 27.3; 27.3
90; 90; 90		20346Qian-Rong Fang; Da-Qian Yuan; Julian Sculley; Jian-Rong Li; Zheng-Bo Han; Hong-Cai Zhou
Functional Mesoporous Metal-Organic Frameworks for the Capture of Heavy Metal Ions and Size-Selective Catalysis
Inorganic Chemistry, 2010, 49, 11637-11642
7039920 CIFC54 H45 Cl Cu O6 P3 Si3P a -322.297; 22.297; 22.297
90; 90; 90		11085.1Aloisi, Alicia; Berthet, Jean-Claude; Genre, Caroline; Thuéry, Pierre; Cantat, Thibault
Complexes of the tripodal phosphine ligands PhSi(XPPh2)3 (X = CH2, O): synthesis, structure and catalytic activity in the hydroboration of CO2.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 14774-14788
7055695 CIFC54 H72 Cl4 Mo3 N6 O3 S4P a -324.7459; 24.7459; 24.7459
90; 90; 90		15153.4Pino-Chamorro, Jose A.; Laricheva, Yuliya A.; Guillamón, Eva; Fernández-Trujillo, M. Jesús; Bustelo, Emilio; Gushchin, Artem L.; Shmelev, Nikita Y.; Abramov, Pavel A.; Sokolov, Maxim N.; Llusar, Rosa; Basallote, Manuel G.; Algarra, Andrés G.
Cycloaddition of alkynes to diimino Mo3S4cubane-type clusters: a combined experimental and theoretical approach
New J. Chem., 2016, 40, 7872
4132829 CIFC56 H40 O2P a -315.389; 15.389; 15.389
90; 90; 90		3644.4Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro
Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.
Journal of the American Chemical Society, 2018, 140, 10054-10059
4502357 CIFC56 H66 Cl2 Cu6 N14 S6P a -318.7167; 18.7167; 18.7167
90; 90; 90		6556.7Chen, Shan-Ci; Yu, Rong-Min; Zhao, Zhen-Guo; Chen, Shu-Mei; Zhang, Qi-Sheng; Wu, Xiao-Yuan; Wang, Fei; Lu, Can-Zhong
A Series of Polynuclear Complexes of d10Metals With Interesting Luminescent Properties
Crystal Growth & Design, 2010, 10, 1155
7100609 CIFC56 H72 N2 O24 Pt12P a -319.844; 19.844; 19.844
90; 90; 90		7815Giuliano Longoni; Cristina Femoni; M. Carmela Iapalucci; Francesco Kaswalder; Marita Mehlstaubl; Stefano Zacchini
High-yield one-step synthesis in water of [Pt3n(CO)6n]2- (n>6) and [Pt38(CO)44]2-.
Chemical Communications, 2005
7012819 CIFC57 H42 Ge Na O3P a -320.7127; 20.7127; 20.7127
90; 90; 90		8886.1Weinert, Charles S.; Fanwick, Phillip E.; Rothwell, Ian P.
Synthesis and structures of the group 1 metal/germanium cage complexes [M(µ-OC6H3Ph2-2,6)3Ge] (M = Li, Na, K, Rb, Cs); periodic trends and alkali metal dependent arene bonding
Dalton Transactions, 2003, 1795
7027858 CIFC58 H61 Cl4 N18 O22.5 Zn3P a -323.981; 23.981; 23.981
90; 90; 90		13791Mann, Karen L. V.; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D.
Synthesis and co-ordination chemistry of the tetradentate chelating ligand 1,3-bis[3-(2-pyridyl)pyrazol-1-yl]propane: crystal structures of complexes with FeII, CuII, ZnII, AgI and PbII
Journal of the Chemical Society, Dalton Transactions, 1998, 3029
7234757 CIFC6 H14 B3 F12 N2 NaP a -313.9925; 13.9925; 13.9925
90; 90; 90		2739.59Ye, Le; Gong, Zhi-Xin; Shi, Chao; Ma, Jia-Jun; Liang, Hao; Qi, Fangwei; E, Dian-yu; Wang, Chang-Feng; Zhang, Yi; Ye, Heng-Yun
(H2dabco)[Na(BF4)3]: an ABX3-type inorganic-organic hybrid perovskite compound with dielectric switching above room-temperature
CrystEngComm, 2019
8000419 CIFC6 H14 B3 F12 N2 RbP a -314.2492; 14.2492; 14.2492
90; 90; 90		2893.15Chu, Lu-Lu; Zhang, Tie; Zhang, Wan-Ying; Shi, Ping-Ping; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei
Three-Dimensional Metal-Free Molecular Perovskite with a Thermally Induced Switchable Dielectric Response.
The journal of physical chemistry letters, 2020, 1668-1674
7101977 CIFC6 H15 Ga2 O3P a -319.044; 19.044; 19.044
90; 90; 90		6906.2McKinlay, Robert M.; Dalgarno, Scott J.; Nichols, Peter J.; Papadopoulos, Stavroula; Atwood, Jerry L.; Raston, Colin L.
Icosahedral galloxane clusters
Chemical Communications (Cambridge, United Kingdom), 2007, 2393-2395
8000417 CIFC6 H18 B3 F12 N3P a -314.2205; 14.2205; 14.2205
90; 90; 90		2875.71Chu, Lu-Lu; Zhang, Tie; Zhang, Wan-Ying; Shi, Ping-Ping; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei
Three-Dimensional Metal-Free Molecular Perovskite with a Thermally Induced Switchable Dielectric Response.
The journal of physical chemistry letters, 2020, 1668-1674
4117098 CIFC6 H18 Cl6 P2 Re2P a -312.3336; 12.3336; 12.3336
90; 90; 90		1876.2F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina
Mixed Chloride Phosphine Complexes of Dirhenium Cores. 1. New Reactions and Unprecedented Structures Involving Trimethylphosphine
Journal of the American Chemical Society, 1997, 119, 12541-12549
7020203 CIFC6 H18 Cl6 Se2 TeP a -312.513; 12.513; 12.513
90; 90; 90		1959.2Hector, Andrew L.; Jolleys, Andrew; Levason, William; Reid, Gillian
TeX4 (X = F, Cl, Br) as Lewis acids‒complexes with soft thio- and seleno-ether ligands.
Dalton transactions (Cambridge, England : 2003), 2012, 41, 10988-10999
2018267 CIF
HKL
Paper		C6 H21 B6 Co N3 O13P a -315.2796; 15.2796; 15.2796
90; 90; 90		3567.3Lan, Shao-Min; Di, Wen-Jing; Shao, Zhi-Dong; Liang, Yun-Xiao
Two new transition metal inorganic‒organic hybrid borates: [tris(2-aminoethoxy)trihydroxyhexaborato]cobalt(II) and its nickel(II) analogue
Acta Crystallographica Section C, 2011, 67, m338-m341
2018268 CIF
HKL
Paper		C6 H21 B6 N3 Ni O13P a -315.2217; 15.2217; 15.2217
90; 90; 90		3526.9Lan, Shao-Min; Di, Wen-Jing; Shao, Zhi-Dong; Liang, Yun-Xiao
Two new transition metal inorganic‒organic hybrid borates: [tris(2-aminoethoxy)trihydroxyhexaborato]cobalt(II) and its nickel(II) analogue
Acta Crystallographica Section C, 2011, 67, m338-m341
7030158 CIFC6 H24 Al2 Co Ge4 N6 O12P a -316.477; 16.477; 16.477
90; 90; 90		4473.37Xu, Yan; Li, Yi; Han, Yide; Yu, Jihong; Xu, Ruren
Distribution of trivalent metal cations in alumino-/gallogermanate zeolites with JST topology.
Dalton transactions (Cambridge, England : 2003), 2012, 41, 12170-12174
4301617 CIFC6 H6 K4 O12 Re6 S8P a -317.6324; 17.6324; 17.6324
90; 90; 90		5481.94Konstantin A. Brylev; Yuri V. Mironov; Svetlana G. Kozlova; Vladimir E. Fedorov; Sung-Jin Kim; Hans-Jürgen Pietzsch; Holger Stephan; Akitaka Ito; Shoji Ishizaka; Noboru Kitamura
The First Octahedral Cluster Complexes With Terminal Formate Ligands: Synthesis, Structure, and Properties of K4[Re6S8(HCOO)6] and Cs4[Re6S8(HCOO)6]
Inorganic Chemistry, 2009, 48, 2309-2315
9011580 CIFC60P a -314.04078; 14.04078; 14.04078
90; 90; 90		2768.05David, W. I. F.; Ibberson, R. M.; Matthewman, J. C.; Prassides, K.; Dennis, T. J. S.; Hare, J. P.; Kroto, H. W.; Taylor, R.; Walton, D. R. M.
Crystal structure and bonding of ordered C60 Sample: at T = 5 K Note: phase: carbon C60
Nature, 1991, 353, 147-149
4316269 CIFC60 H12 Cu12 K4 Mn4 O117.12P a -318.346; 18.346; 18.346
90; 90; 90		6174.8Beatriz Gil-Hernández; Pedro Gili; Jana K. Vieth; Christoph Janiak; Joaquín Sanchiz
Magnetic Ordering in Two Molecule-Based (10,3)-a Nets Prepared from a Copper(II) Trinuclear Secondary Building Unit
Inorganic Chemistry, 2010, 49, 7478-7490
7110222 CIFC60 H2 OP a -314.0669; 14.0669; 14.0669
90; 90; 90		2783.53Shinobu Aoyagi; Norihisa Hoshino; Tomoyuki Akutagawa; Yuki Sado; Ryo Kitaura; Hisanori Shinohara; Kunihisa Sugimoto; Rui Zhang; Yasujiro Murata
A cubic dipole lattice of water molecules trapped inside carbon cages
Chem.Commun., 2014, 50, 524
4119631 CIFC60 H30 F12 I14 S2P a -322.431; 22.431; 22.431
90; 90; 90		11286.2Julien Lieffrig; Olivier Jeannin; Marc Fourmigué
Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices
Journal of the American Chemical Society, 2013, 135, 6200-6210
7221054 CIFC60 H36 Br Cd6 N48 Na O12P a -320.554; 20.554; 20.554
90; 90; 90		8683.4Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping
Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks
CrystEngComm, 2015, 17, 6103
7221057 CIFC60 H36 Cd6 Cl N48 O12 RbP a -320.6298; 20.6298; 20.6298
90; 90; 90		8779.8Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping
Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks
CrystEngComm, 2015, 17, 6103
7221060 CIFC60 H36 Cd6 I K N48 O12P a -320.7166; 20.7166; 20.7166
90; 90; 90		8891.1Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping
Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks
CrystEngComm, 2015, 17, 6103
4003218 CIFC60 H42 N12 O19 Zn4P a -333.9803; 33.9803; 33.9803
90; 90; 90		39235.7Ju, Zhanfeng; Yan, Shichen; Yuan, Daqiang
De Novo Tailoring Pore Morphologies and Sizes for Different Substrates in a Urea-Containing MOFs Catalytic Platform
Chemistry of Materials, 2016, 28, 2000
4335859 CIFC60 H78 N6 O24 Ti6P a -319.574; 19.574; 19.574
90; 90; 90		7499.6Keunil Hong; Hyungphil Chun
Nonporous Titanium-Oxo Molecular Clusters That Reversibly and Selectively Adsorb Carbon Dioxide
Inorganic Chemistry, 2013, 52, 9705-9707
4316474 CIFC60 H90 Cd6 Cl14 N24 O20P a -320.95; 20.95; 20.95
90; 90; 90		9195Xing Feng; Zhong-Fei Li; Sai-Feng Xue; Zhu Tao; Qian-Jiang Zhu; Yun-Qian Zhang; Jing-Xin Liu
Complexation of Cyclohexanocucurbit[6]uril with Cadmium Ions: X-ray Crystallographic and Electrochemical Study
Inorganic Chemistry, 2010, 49, 7638-7640
1521485 CIFC60 RbP a -314.0163; 14.0163; 14.0163
90; 90; 90		2753.6Lappas, A.; Brown, C.M.; Prassides, K.; Kordatos, K.; Tanigaki, K.; Suard, E.
Neutron diffraction study of the polymeric structure of Na2 Rb C60
Journal of Physics: Condensed Matter, 1999, 11, 371-381
4326598 CIFC61 H110 Cl2 Cu4 I4 P4P a -323.922; 23.922; 23.922
90; 90; 90		13689.7Sandrine Perruchas; Cédric Tard; Xavier F. Le Goff; Alexandre Fargues; Alain Garcia; Samia Kahlal; Jean-Yves Saillard; Thierry Gacoin; Jean-Pierre Boilot
Thermochromic Luminescence of Copper Iodide Clusters: The Case of Phosphine Ligands
Inorganic Chemistry, 2011, 50, 10682-10692
4342427 CIFC624 H1056 N48 O48 P48 Ru24P a -325.6471; 25.6471; 25.6471
90; 90; 90		16870Fogler, Eran; Efremenko, Irena; Gargir, Moti; Leitus, Gregory; Diskin-Posner, Yael; Ben-David, Yehoshoa; Martin, Jan M. L.; Milstein, David
New Ruthenium Nitrosyl Pincer Complexes Bearing an O2 Ligand. Mono-Oxygen Transfer.
Inorganic chemistry, 2015, 54, 2253
4315757 CIFC63 H63 Au Cl O4 Sb3P a -322.1544; 22.1544; 22.1544
90; 90; 90		10873.8Vilma R. Bojan; Eduardo J. Fernández; Antonio Laguna; José M. López-de-Luzuriaga; Miguel Monge; M. Elena Olmos; Raquel C. Puelles; Cristian Silvestru
Study of the Coordination Abilities of Stibine Ligands to Gold(I)
Inorganic Chemistry, 2010, 49, 5530-5541
7028153 CIFC63.6 H103.2 Cl1.2 O10.5 P3 Ru3P a -324.1347; 24.1347; 24.1347
90; 90; 90		14058.1Süss-Fink, Georg; Godefroy, Isabelle; Ferrand, Vincent; Neels, Antonia; Stoeckli-Evans, Helen
Saturated and unsaturated triruthenium clusters containing three sterically demanding phosphine ligands: synthesis and structure of [Ru3(CO)9(PCy3)3] and [Ru3H2(CO)6(PCy3)3]
Journal of the Chemical Society, Dalton Transactions, 1998, 515
7006698 CIFC64 H110 Cl Li N6 O4 Zn3P a -324.2097; 24.2097; 24.2097
90; 90; 90		14189.5Hitchcock, Peter B.; Lappert, Michael F.; Wei, Xue-Hong
Synthesis and structures of some bimetallic (Li/Ca, Li/Zn, Li/Li) diamides derived from 1,2-bis(neopentylamino)benzene and of Li2[{N(SiMe2NPr(i)2)}2C6H4-1,2](thf)3.
Dalton transactions (Cambridge, England : 2003), 2006, 1181-1187
4510357 CIFC64 H64 N6 O30 Zn5P a -324.942; 24.942; 24.942
90; 90; 90		15517Chun, Hyungphil; Bak, Woojeong; Hong, Keunil; Moon, Dohyun
A Simple and Rational Approach for Binodal Metal‒Organic Frameworks with Tetrahedral Nodes and Unexpected Multimodal Porosities from Nonstoichiometric Defects
Crystal Growth & Design, 2014, 14, 1998
7006752 CIFC64 H96 N26 Ni3 O9P a -320.827; 20.827; 20.827
90; 90; 90		9034Yamada, Susumu; Yasui, Masanori; Nogami, Takashi; Ishida, Takayuki
Self-assembled meso-helicates of linear trinuclear nickel(II)-radical complexes with triple pyrazolate bridges.
Dalton transactions (Cambridge, England : 2003), 2006, 1622-1626
4319289 CIFC65 H108 O7 Zn3P a -323.604; 23.604; 23.604
90; 90; 90		13150.9Maarten B. Dinger; Michael J. Scott
Synthesis, Characterization, and Reactivity of Multinuclear Zinc(II) Alkyl Derivatives of Linked Phenoxides
Inorganic Chemistry, 2001, 40, 1029-1036
7014814 CIFC66 H145 N6 O37 P S4 Si4 W9P a -327.5792; 27.5792; 27.5792
90; 90; 90		20977.1Aoki, Shotaro; Kurashina, Takayuki; Kasahara, Yuhki; Nishijima, Tadashi; Nomiya, Kenji
Polyoxometalate (POM)-based, multi-functional, inorganic-organic, hybrid compounds: syntheses and molecular structures of silanol- and/or siloxane bond-containing species grafted on mono- and tri-lacunary Keggin POMs.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 1243-1253
7701081 CIFC66 H45 Gd N9 O6 P3P a -323.9284; 23.9284; 23.9284
90; 90; 90		13700.6Sun, Boxun; Wei, Chen; Wei, Huibo; Cai, Zelun; Liu, Huanyu; Zang, Zhiyu; Yan, Wenchao; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui
Highly efficient room-temperature phosphorescence achieved by gadolinium complexes.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 14958-14961
7236869 CIFC66 H72 Eu2 N18 Na O19P a -319.4641; 19.4641; 19.4641
90; 90; 90		7374Han, Min-Le; Wen, Guo-Xuan; Dong, Wen-Wen; Zhou, Zhi-Hang; Wu, Ya-Pan; Zhao, Jun; Li, Dong-Sheng; Ma, Lu-Fang; Bu, Xianhui
A heterometallic sodium‒europium-cluster-based metal‒organic framework as a versatile and water-stable chemosensor for antibiotics and explosives
Journal of Materials Chemistry C, 2017, 5, 8469
2020626 CIF
Paper		C66 H79 B Hf N6 S3P a -323.1441; 23.1441; 23.1441
90; 90; 90		12397.1Rong, Yi; Sambade, David; Parkin, Gerard
Molecular structures of tris(1-<i>tert</i>-butyl-2-mercaptoimidazolyl)hydroborate complexes of titanium, zirconium and hafnium
Acta Crystallographica Section C, 2016, 72, 806-812
7025922 CIFC66 H96 Mn7 N14 O30P a -320.4997; 20.4997; 20.4997
90; 90; 90		8614.75Langley, Stuart K.; Chilton, Nicholas F.; Massi, Massimiliano; Moubaraki, Boujemaa; Berry, Kevin J.; Murray, Keith S.
Synthesis and characterization of homo- and heterovalent tetra- hexa- hepta- and decanuclear manganese clusters using pyridyl functionalized beta-diketone, carboxylate and triethanolamine ligands.
Dalton transactions (Cambridge, England : 2003), 2010, 39, 7236-7249
4346050 CIFC66.52 H39.7 Cl9.12 Co4.56 N11.9 O29.36 Zr6P a -326.0729; 26.0729; 26.0729
90; 90; 90		17724.3Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R.
Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts.
Inorganic chemistry, 2015, 54, 2995-3005
7047738 CIFC67 H100 Co20 N78 O42 S26P a -326.34708; 26.34708; 26.34708
90; 90; 90		18289.3Wang, Hui; Xu, Xiaoling; Jiang, Yimin; Yao, Pengfei; Li, Bo; Zou, Huahong; Zhou, Jinglin; Chen, Zilu
Synthesis, structure and magnetic properties of two mixed-valence icosanuclear nanocages.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 15141-15147
7047739 CIFC67 H100 N78 Ni20 O42 S26P a -326.0903; 26.0903; 26.0903
90; 90; 90		17759.8Wang, Hui; Xu, Xiaoling; Jiang, Yimin; Yao, Pengfei; Li, Bo; Zou, Huahong; Zhou, Jinglin; Chen, Zilu
Synthesis, structure and magnetic properties of two mixed-valence icosanuclear nanocages.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 15141-15147
4341239 CIFC67 H128 O24 Ti6P a -320.5595; 20.5595; 20.5595
90; 90; 90		8690.36Radtke, Aleksandra; Piszczek, Piotr; Muzioł, Tadeusz; Wojtczak, Andrzej
The Structural Conversion of Multinuclear Titanium(IV) μ-Oxo-complexes
Inorganic Chemistry, 2014, 141006083028009
4346044 CIFC67.2 H40.72 Br8.4 Fe4.2 N12.24 O29.36 Zr6P a -326.255; 26.255; 26.255
90; 90; 90		18098Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R.
Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts.
Inorganic chemistry, 2015, 54, 2995-3005
1545312 CIFC67.68 H33.84 Br11.28 N11.28 Ni5.64 O30.56 Zr6P a -326.2758; 26.2758; 26.2758
90; 90; 90		18141.3Gonzalez, Miguel; Oktawiec, Julia; Long, Jeffrey R.
Ethylene Oligomerization in Metal‒Organic Frameworks Bearing Nickel(II) 2,2′-Bipyridine Complexes
Faraday Discuss., 2017
7108693 CIFC68 H116 Cl2 Mn6 N6 O25 P8P a -321.244; 21.244; 21.244
90; 90; 90		9587.6Lei Zhang; Bartosz Marzec; Rodolphe Clerac; Yanhui Chen; Hongzhou Zhang; Wolfgang Schmitt
Supramolecular approaches to metal-organic gels using 'Chevrel-type' coordination clusters as building units
Chem.Commun., 2013, 49, 66
7105934 CIFC68 H132 Cd2 Cl4 Cu6 N30 O19P a -322.6467; 22.6467; 22.6467
90; 90; 90		11614.9Evgen Govor; Andrey Lysenko; David Quinonero; Eduard Rusanov; Alexander Chernega; Jens Moellmer; Reiner Staudt; Harald Krautscheid; Antonio Frontera; Konstantin Domasevitch
Self-assembly hexanuclear metallacontainer hosting halogenated guest species and sustaining structure of 3D coordination framework
Chem.Commun., 2011, 47, 1764
1543033 CIFC69 H45 Ir N6P a -322.825; 22.825; 22.825
90; 90; 90		11891Pan, Long; Xu, Meng-Ying; Feng, Li-Juan; Chen, Qi; He, Yu-Jian; Han, Bao-Hang
Conjugated microporous polycarbazole containing tris(2-phenylpyridine)iridium(iii) complexes: phosphorescence, porosity, and heterogeneous organic photocatalysis
Polym. Chem., 2016, 7, 2299
7701462 CIFC69 H81 Dy3 N24 O33P a -328.811; 28.811; 28.811
90; 90; 90		23915Cheng, Li-Wei; Zhang, Chi-Lung; Wei, Jun-Yu; Lin, Po-Heng
Mononuclear and Trinuclear DyIII SMMs with Schiff-base Ligands Modified by Nitro- Group: First Triangular Complex with N-N Pathway
Dalton Transactions, 2019
7701461 CIFC69 H81 Gd3 N24 O33P a -328.897; 28.897; 28.897
90; 90; 90		24130Cheng, Li-Wei; Zhang, Chi-Lung; Wei, Jun-Yu; Lin, Po-Heng
Mononuclear and Trinuclear DyIII SMMs with Schiff-base Ligands Modified by Nitro- Group: First Triangular Complex with N-N Pathway
Dalton Transactions, 2019
4337725 CIFC69.5 H98.5 N8.5 O6 ZnP a -323.772; 23.772; 23.772
90; 90; 90		13434Adelhardt, Mario; Chalkley, Matthew J.; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Meyer, Karsten
Synthesis and characterization of iron trisphenolate complexes with hydrogen-bonding cavities.
Inorganic chemistry, 2014, 53, 2763-2765
4308801 CIFC7 H11 Cl La N O8P a -319.9818; 19.9818; 19.9818
90; 90; 90		7978.2Sujit K. Ghosh; Parimal K. Bharadwaj
Coordination Polymers of La(III) as Bunched Infinite Nanotubes and Their Conversion into an Open-Framework Structure
Inorganic Chemistry, 2005, 44, 3156-3161
2000675 CIF
Paper		C7 H11 Cl N Nd O12P a -320.435; 20.435; 20.435
90; 90; 90		8533Starynowicz, P.
Structure of tetraaqua(2,6-pyridinedicarboxylato)neodymium perchlorate
Acta Crystallographica Section C, 1992, 48, 1428-1430
4308624 CIFC7 H11 Cl N O12 PrP a -320.506; 20.506; 20.506
90; 90; 90		8623Bin Zhao; Long Yi; Yan Dai; Xiao-Yan Chen; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan; Zong-Hui Jiang
Systematic Investigation of the Hydrothermal Syntheses of Pr(III)-PDA (PDA = Pyridine-2,6-dicarboxylate Anion) Metal-Organic Frameworks
Inorganic Chemistry, 2005, 44, 911-920
4308802 CIFC7 H11 La N2 O11P a -320.3661; 20.3661; 20.3661
90; 90; 90		8447.4Sujit K. Ghosh; Parimal K. Bharadwaj
Coordination Polymers of La(III) as Bunched Infinite Nanotubes and Their Conversion into an Open-Framework Structure
Inorganic Chemistry, 2005, 44, 3156-3161
4062043 CIFC7 H17 Li O P2P a -319.067; 19.067; 19.067
90; 90; 90		6931.7Organometallics, 2003
7232842 CIFC7 H18 F6 N3 PP a -310.9739; 10.9739; 10.9739
90; 90; 90		1321.55Yunis, Ruhamah; Hollenkamp, Anthony F.; Forsyth, Craig; Doherty, Cara M.; Al-Masri, Danah; Pringle, Jennifer M.
Organic salts utilising the hexamethylguanidinium cation: the influence of the anion on the structural, physical and thermal properties
Physical Chemistry Chemical Physics, 2019
7216455 CIFC7 H29 Al3 Ge3 N7 Ni O12P a -316.4699; 16.4699; 16.4699
90; 90; 90		4467.6Wang, Jiahong; Zhang, Yu; Zhang, Zaichao; Xu, Yan
Synthesis and structural characterization of three 3-D aluminogermanates with different topologies
CrystEngComm, 2014, 16, 5103
4346046 CIFC70.56 H39.28 Cl8.34 Cu8.34 N11.76 O31.52 Zr6P a -326.149; 26.149; 26.149
90; 90; 90		17879.9Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R.
Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts.
Inorganic chemistry, 2015, 54, 2995-3005
1507675 CIFC71.63 H53.5 Cl1.25 O4.38P a -321.814; 21.814; 21.814
90; 90; 90		10380.2Yamaguchi, Ryuichi; Hiroto, Satoru; Shinokubo, Hiroshi
Synthesis of oxygen-substituted hexa-peri-hexabenzocoronenes through Ir-catalyzed direct borylation.
Organic letters, 2012, 14, 2472-2475
4337724 CIFC72 H101 Fe N9 O6P a -324.2185; 24.2185; 24.2185
90; 90; 90		14205Adelhardt, Mario; Chalkley, Matthew J.; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Meyer, Karsten
Synthesis and characterization of iron trisphenolate complexes with hydrogen-bonding cavities.
Inorganic chemistry, 2014, 53, 2763-2765
1542527 CIFC72 H45 Ir N3P a -322.825; 22.825; 22.825
90; 90; 90		11891Pan, Long; Xu, Meng-Ying; Feng, Li-Juan; Chen, Qi; He, Yu-Jian; Han, Bao-Hang
Conjugated microporous polycarbazole containing tris(2-phenylpyridine)iridium(iii) complexes: phosphorescence, porosity, and heterogeneous organic photocatalysis
Polym. Chem., 2016, 7, 2299
2014623 CIF
HKL
Paper		C72 H66 Cl3 Fe N6 S6P a -318.8566; 18.8566; 18.8566
90; 90; 90		6704.9Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; Kelly, Paul F.
The effect of hydrogen-bonding anions on the structure of metal‒sulfimide complexes
Acta Crystallographica Section C, 2005, 61, m34-m39
7107989 CIFC72 H90 Cu12 N12 Na4 O65P a -324.3984; 24.3984; 24.3984
90; 90; 90		14523.9Huan Zhang; Ying Lu; Zhi-Ming Zhang; Hai Fu; Yangguang Li; Dmytro Denysenko; Dirk Volkmer; Enbo Wang
A 12-connected metal-organic framework constructed from an unprecedented cyclic dodecanuclear copper cluster
Chem.Commun., 2012, 48, 7295
7037880 CIFC73 H128 P4 Si10.8 Th2P a -321.10705; 21.10705; 21.10705
90; 90; 90		9403.35Formanuik, Alasdair; Ortu, Fabrizio; Beekmeyer, Reece; Kerridge, Andrew; Adams, Ralph W.; Mills, David P.
White phosphorus activation by a Th(iii) complex.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 2390-2393
4108128 CIFC75 H96 S3P a -324.8817; 24.8817; 24.8817
90; 90; 90		15404.2Jin-Liang Wang; Jing Yan; Zheng-Ming Tang; Qi Xiao; Yuguo Ma; Jian Pei
Gradient Shape-Persistent π-Conjugated Dendrimers for Light-Harvesting: Synthesis, Photophysical Properties, and Energy Funneling
Journal of the American Chemical Society, 2008, 130, 9952-9962
7700618 CIFC77 H65 Dy2 N4 O10P a -335.2909; 35.2909; 35.2909
90; 90; 90		43953Zhang, Sheng; Mo, Wenjiao; Zhang, Zengqi; Gao, Fei; Wang, Lei; Hu, Dengwei; Chen, Sanping
Ligand ratio/solvent-influenced syntheses, crystal structures, and magnetic properties of polydentate Schiff base ligand-Dy(iii) compounds with β-diketonate ligands as co-ligands.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 12466-12481
7102739 CIFC77.33 H96 B2.67 N2.67 O10.67P a -325.6586; 25.6586; 25.6586
90; 90; 90		16892.7Barba, Victor; Höpfl, Herbert; Farfán, Norberto; Santillan, Rosa; Beltran, Hiram I; Zamudio-Rivera, Luis S
Boron-nitrogen macrocycles: a new generation of calix[3]arenes.
Chemical communications (Cambridge, England), 2004, 2834-2835
1541664 CIFC78 H24 F48P a -323.229; 23.229; 23.229
90; 90; 90		12534.1Troyanov, S.I.; Troshin, P.A.; Boltalina, O.V.; Kemnitz, E.; Ioffe, I.N.; Sidorov, L.N.
Two isomers of C60 F48: an indented fullerene
Angew. Chem. Int. ed., 2001, 40, 2285-2287
7123425 CIFC78 H72 Co2 N4 P6P a -318.9258; 18.9258; 18.9258
90; 90; 90		6778.95Apps, Samantha; Miller, Philip; Long, Nicholas J.
Cobalt-triphos dinitrogen complexes: activation and silyl-functionalisation of N2
Chemical Communications, 2019
7019143 CIFC78 H90 Li6 O12P a -319.2239; 19.2239; 19.2239
90; 90; 90		7104.4Nakajima, Hideto; Yasuda, Makoto; Baba, Akio
Lithium phenolates with a hexagonal-prismatic Li(6)O(6) core isolated via a cage-shaped tripodal ligands system: crystal structures and their behavior in solution.
Dalton transactions (Cambridge, England : 2003), 2012, 41, 6602-6606
7114444 CIFC8 H4 Cl0.33 O8.33 VP a -319.2907; 19.2907; 19.2907
90; 90; 90		7178.67Barthelet, K.; Riou, D.; Férey, G.
[VIII(H2O)]3O(O2CC6H4CO2)3·(Cl, 9H2O) (MIL-59): a rare example of vanadocarboxylate with a magnetically frustrated three-dimensional hybrid framework
Chemical Communications, 2002, 1492
4112911 CIFC8 H4 Co2 O10P a -320.273; 20.273; 20.273
90; 90; 90		8332.1Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov
Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure
Journal of the American Chemical Society, 2004, 126, 10502-10503
4112914 CIFC8 H4 O10.5 Zn3P a -320.483; 20.483; 20.483
90; 90; 90		8593.7Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov
Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure
Journal of the American Chemical Society, 2004, 126, 10502-10503
4112913 CIFC8 H4 O11.08 Zn3.02P a -320.482; 20.482; 20.482
90; 90; 90		8592.5Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov
Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure
Journal of the American Chemical Society, 2004, 126, 10502-10503
4112915 CIFC8 H4 O15.06 Zn3.01P a -320.713; 20.713; 20.713
90; 90; 90		8886.5Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov
Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure
Journal of the American Chemical Society, 2004, 126, 10502-10503
4112909 CIFC8 H6 Co2 O10P a -320.329; 20.329; 20.329
90; 90; 90		8401.3Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov
Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure
Journal of the American Chemical Society, 2004, 126, 10502-10503
4112908 CIFC8 H6 O15.67 Zn3.06P a -320.7929; 20.7929; 20.7929
90; 90; 90		8989.7Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov
Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure
Journal of the American Chemical Society, 2004, 126, 10502-10503
4112907 CIFC8 H8 Co2 O13.33P a -320.5213; 20.5213; 20.5213
90; 90; 90		8642Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov
Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure
Journal of the American Chemical Society, 2004, 126, 10502-10503
4112910 CIFC8 H8 Co2 O13.33P a -320.448; 20.448; 20.448
90; 90; 90		8549.7Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov
Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure
Journal of the American Chemical Society, 2004, 126, 10502-10503
4112912 CIFC8 H8 Co2 O13.33P a -320.495; 20.495; 20.495
90; 90; 90		8608.8Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov
Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure
Journal of the American Chemical Society, 2004, 126, 10502-10503
7211701 CIFC8 H8.67 O11.33 Zn2P a -320.5223; 20.5223; 20.5223
90; 90; 90		8643.3Liu, Chun-Sen; Sañudo, E. Carolina; Hu, Min; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Gao, Li-Jun; Fang, Shao-Ming
Metal‒organic coordination polymers based on a flexible tetrahydrofuran-2,3,4,5-tetracarboxylate ligand: syntheses, crystal structures, and magnetic/photoluminescent properties
CrystEngComm, 2010, 12, 853
7211696 CIFC8 H8.83 Cu2 O11.42P a -320.276; 20.276; 20.276
90; 90; 90		8335.8Liu, Chun-Sen; Sañudo, E. Carolina; Hu, Min; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Gao, Li-Jun; Fang, Shao-Ming
Metal‒organic coordination polymers based on a flexible tetrahydrofuran-2,3,4,5-tetracarboxylate ligand: syntheses, crystal structures, and magnetic/photoluminescent properties
CrystEngComm, 2010, 12, 853
7021294 CIFC80 H180 Ag56 S33P a -329.022; 29.022; 29.022
90; 90; 90		24445Sun, Di; Wang, Hua; Lu, Hai-Feng; Feng, Sheng-Yu; Zhang, Zhen-Wei; Sun, Guo-Xin; Sun, Dao-Feng
Two birds with one stone: anion templated ball-shaped Ag56 and disc-like Ag20 clusters.
Dalton transactions (Cambridge, England : 2003), 2013, 42, 6281-6284
1519925 CIFC80 H56 Co7 F18 N16 O18 SiP a -324.5063; 24.5063; 24.5063
90; 90; 90		14717.5Chen, Kai-Jie; Perry IV, John J.; Scott, Hayley S.; Yang, Qing-Yuan; Zaworotko, Michael J.
Double-walled pyr topology networks from a novel fluoride-bridged heptanuclear metal cluster
Chem. Sci., 2015, 6, 4784
1528829 CIFC82 CeP a -315.78; 15.78; 15.78
90; 90; 90		3929.35Rikiishi, Y.; Kubozono, Y.; Hosokawa, T.; Takabayashi, Y.; Fujiwara, A.; Shibata, K.; Haruyama, Y.; Iwasa, Y.; Kobayashi, S.; Mori, S.
Structural and electronic characterizations of two isomers of Ce@C82
J. Phys. Chem. B, 2004, 108, 7580-7585
4350333 CIFC82 H90 N8 Ni38 O48 Pt6P a -323.0193; 23.0193; 23.0193
90; 90; 90		12197.7de Silva, Namal; Dahl, Lawrence F.
Aprotic synthesis and structural determination of the nanosized nonprotonated nu3-octahedral [Pt6Ni38(CO)48]6- hexaanion stabilized as a cubic solvated [NMe4]+ salt.
Inorganic chemistry, 2006, 45, 8814-8816
4346045 CIFC83.52 H40 Cr5.22 N10.44 O52.88 Zr6P a -326.0205; 26.0205; 26.0205
90; 90; 90		17617.6Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R.
Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts.
Inorganic chemistry, 2015, 54, 2995-3005
4346043 CIFC83.76 H65.17 Cl10.44 Cu5.22 N21 O32 Zr6P a -326.0483; 26.0483; 26.0483
90; 90; 90		17674.1Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R.
Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts.
Inorganic chemistry, 2015, 54, 2995-3005
7019144 CIFC84 H102 Li6 O12P a -319.5449; 19.5449; 19.5449
90; 90; 90		7466.2Nakajima, Hideto; Yasuda, Makoto; Baba, Akio
Lithium phenolates with a hexagonal-prismatic Li(6)O(6) core isolated via a cage-shaped tripodal ligands system: crystal structures and their behavior in solution.
Dalton transactions (Cambridge, England : 2003), 2012, 41, 6602-6606
4340306 CIFC84 H120 O24 Ti6P a -321.821; 21.821; 21.821
90; 90; 90		10390Hong, Keunil; Bak, Woojeong; Chun, Hyungphil
Robust Molecular Crystals of Titanium(IV)-oxo-Carboxylate Clusters Showing Water Stability and CO2 Sorption Capability.
Inorganic chemistry, 2014, 53, 7288-7293
7040094 CIFC84 H126 Cl2 Co7 N6 O24P a -321.0511; 21.0511; 21.0511
90; 90; 90		9328.8Singha Mahapatra, Tufan; Basak, Dipmalya; Chand, Santanu; Lengyel, Jeff; Shatruk, Michael; Bertolasi, Valerio; Ray, Debashis
Competitive coordination aggregation for V-shaped [Co3] and disc-like [Co7] complexes: synthesis, magnetic properties and catechol oxidase activity.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 13576-13589
7104644 CIFC84 H138 Cd4 N46 O18P a -341.5947; 41.5947; 41.5947
90; 90; 90		71963.8Ouellette, Wayne; Zubieta, Jon
Solid state coordination chemistry of microporous metal-organic frameworks of the cadmium(ii)-4-pyridyltetrazolate family: the structural influences of chloride incorporation.
Chemical communications (Cambridge, England), 2009, 34, 4533-4535
4100374 CIFC84 H84 Cl5 F6 O3 P7 Ru3P a -326.0092; 26.0092; 26.0092
90; 90; 90		17594.7Chen, Yiyun; .; Ho, Douglas M.; .; Lee, Chulbom; .
Ruthenium-Catalyzed Hydrative Cyclization of 1,5-Enynes
Journal of the American Chemical Society, 2005
2009888 CIF
Paper		C85 H78 Cl3 F9 O9 P6 Rh2 S3P a -326.43; 26.43; 26.43
90; 90; 90		18463Bachechi, Fiorella
A tri-μ-chloro dirhodium (III) complex [Rh~2~(μ-Cl)~3~(triphos)~2~](CF~3~SO~3~)~3~ [triphos = CH~3~C(CH~2~PPh~2~)~3~]
Acta Crystallographica Section C, 1994, 50, 1069-1072
4346047 CIFC86.31 H39.04 Cr4.95 N11.68 O49.38 Zr6P a -326.0682; 26.0682; 26.0682
90; 90; 90		17715Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R.
Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts.
Inorganic chemistry, 2015, 54, 2995-3005
4114486 CIFC87 H180 Cu6 F27 N30 O27 Os2 Re4 S9 Se8P a -327.1909; 27.1909; 27.1909
90; 90; 90		20103.5Eric G. Tulsky; Nathan R. M. Crawford; Stéphane A. Baudron; Patrick Batail; Jeffrey R. Long
Cluster-to-Metal Magnetic Coupling: Synthesis and Characterization of 25-Electron [Re6-nOsnSe8(CN)6](5-n)- (n = 1, 2) Clusters and {Re6-nOsnSe8[CNCu(Me6tren)]6}9+ (n = 0, 1, 2) Assemblies
Journal of the American Chemical Society, 2003, 125, 15543-15553
4038065 CIFC88 H108 B6 O12P a -319.9143; 19.9143; 19.9143
90; 90; 90		7897.6Nagase, Mai; Kato, Kenta; Yagi, Akiko; Segawa, Yasutomo; Itami, Kenichiro
Six-fold C‒H borylation of hexa-peri-hexabenzocoronene
Beilstein Journal of Organic Chemistry, 2020, 16, 391-397
2108033 CIF
HKL
Paper		C88 H40 Br2 F12 I12 P2P a -322.3941; 22.3941; 22.3941
90; 90; 90		11230.5Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.
1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis
Acta Crystallographica Section B, 2017, 73
7125141 CIFC89.42 H141.68 Cl3 Ir3 N12 O5.42 Si3P a -327.98535; 27.98535; 27.98535
90; 90; 90		21917.6Olaru, Alexandra M.; Burt, Alister; Rayner, Peter J.; Hart, Sam J.; Whitwood, Adrian C.; Green, Gary G. R.; Duckett, Simon B.
Using signal amplification by reversible exchange (SABRE) to hyperpolarise <sup>119</sup>Sn and <sup>29</sup>Si NMR nuclei.
Chemical communications (Cambridge, England), 2016, 52, 14482-14485
2242573 CIF
HKL		C9 H27 Br Si4P a -315.6497; 15.6497; 15.6497
90; 90; 90		3832.8Gulotty, Eva M.; Staples, Richard J.; Biros, Shannon M.; Gaspar, Peter P.; Rath, Nigam P.; Winchester, William R.
Crystal structures of 2-bromo-1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)trisilane and 2-bromo-1,1,1,3,3,3-hexaisopropyl-2-(triisopropylsilyl)trisilane
Acta Crystallographica Section E, 2018, 74, 1142-1146
7002656 CIFC9 H27 Cl Si4P a -315.467; 15.467; 15.467
90; 90; 90		3700.1Kuzora, René; Schulz, Axel; Villinger, Alexander; Wustrack, Ronald
Hypersilylated cyclodiphosphadiazanes and cyclodiphosphadiazenium salts
Dalton Transactions, 2009, 9304

Left arrow Left arrow First | Left arrow Previous 500 | of 2 | Next 500 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.