Crystallography Open Database

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Searching space group like 'P -3'

COD ID: 1001363
CIF file Formula: - Mo4 O25 P6 Si2 -
Comments: Leclaire, A; Lamire, M; Raveau, B Mo~4~ P~6~ Si~2~ O~25~, an Mo(^III^) phosphosilicate closely related to V~3~ P~5~ Si O~19~: oxygen non-stoichiometry in silicophosphates. Acta Crystallographica C (39,1983-) 44 (1988) 1181-1184
Space group: P -3
Cell volume: 1385.5
Cell parameters: 14.705; 14.705; 7.3986; 90; 90; 120;  

COD ID: 1001626
CIF file Formula: - Cd3 Cl3 P -
Comments: Rebbah, A; Yazbeck, J; Deschanvres, A Etude structurale des composes Cd3 Y X3 (Y=As, P, X=Cl, Br, I) Revue de Chimie Minerale 18 (1981) 43-53
Space group: P -3
Cell volume: 359.9
Cell parameters: 7.633; 7.633; 7.133; 90; 90; 120;  

COD ID: 1007003
CIF file Formula: - Cd3 H28 O32 P6 -
Comments: Averbuch-Pouchot, M T; Durif, A; Guitel, J C Etude a basse temperature du trimetaphosphate de cadmium tetradeca- hydrate Cd~3~ (P~3~ O~9~)~2~ (H~2~ O)~14~ Acta Crystallographica B (24,1968-38,1982) 32 (1976) 1533-1535
Space group: P -3
Cell volume: 718.1
Cell parameters: 12.285; 12.285; 5.494; 90; 90; 120;  

COD ID: 1007004
CIF file Formula: - Cd3 H28 O32 P6 -
Comments: Averbuch-Pouchot, M T; Durif, A; Guitel, J C Etude a basse temperature du trimetaphosphate de cadmium tetradeca- hydrate Cd~3~ (P~3~ O~9~)~2~ (H~2~ O)~14~ Acta Crystallographica B (24,1968-38,1982) 32 (1976) 1533-1535
Space group: P -3
Cell volume: 704.7
Cell parameters: 12.197; 12.197; 5.47; 90; 90; 120;  

COD ID: 1007056
CIF file Formula: - Cd3 H28 O32 P6 -
Comments: Averbuch-Pouchot, M T; Durif, A; Tordjman, I Cadmium trimetaphosphate tetradecahydrate, Cd~3~ (P~3~ O~9~)~2~ (H~2~ O)~14~ Crystal Structure Communications 2 (1973) 89-90
Space group: P -3
Cell volume: 705.9
Cell parameters: 12.228; 12.228; 5.451; 90; 90; 120;  

COD ID: 1008078
CIF file Formula: - Cu1.9998 Er0.6666 S1.9998 -
Comments: Ballestracci, R; Bertaut, E F Etude cristallographique de nouveaux sulfures de terres rares et de cuivre(I) Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 88 (1965) 575-579
Space group: P -3
Cell volume: 82.3
Cell parameters: 3.874; 3.874; 6.332; 90; 90; 120;  

COD ID: 1008188
CIF file Formula: - Cu1.3333 Er0.8889 S2 -
Comments: Ballestracci, R; Bertaut, E F Etude cristallographique de nouveaux sulfures de terres rares et de cuivre (I) Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 88 (1965) 575-579
Space group: P -3
Cell volume: 81.8
Cell parameters: 3.898; 3.898; 6.218; 90; 90; 120;  

COD ID: 1008967
CIF file Formula: - Cu2 Er0.667 S2 -
Comments: Ballestracci, R; Bertaut, E F Etude cristallographique de nouveaux sulfures de terres rares et de cuivre (I) Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 88 (1965) 575-579
Space group: P -3
Cell volume: 82.3
Cell parameters: 3.874; 3.874; 6.332; 90; 90; 120;  

COD ID: 1010523
CIF file Formula: - Na2 O3 S -
Comments: Zachariasen, W H; Buckley, H E The Crystal Lattice of Anhydrous Sodium Sulphite,Na~2~ S O~3~ Physical Review (1,1893-132,1963/141,1966-188,1969) 37 (1931) 1295-1305
Space group: P -3
Cell volume: 157.2
Cell parameters: 5.441; 5.441; 6.133; 90; 90; 120;  

COD ID: 1011093
CIF file Formula: - C2 Mg Na2 O6 -
Comments: Eitel, W; Skaliks, W Ueber einige Doppelcarbonate der Alkalien und Erdalkalien Zeitschrift fuer Anorganische und Allgemeine Chemie 183 (1929) 263-286
Space group: P -3
Cell volume: 350.1
Cell parameters: 4.95; 4.95; 16.5; 90; 90; 120;  

COD ID: 1100426
CIF file Formula: - C36 H33 B Cr3 O9 -
Comments: Elschenbroich, Christoph; Kühlkamp, Peter; Behrendt, Andreas; Harms, Klaus Metall-π-Komplexe von Benzolderivaten, 49. Halbsandwichkomplexe des Trimesitylborans Mes~3~B: Darstellung und Struktur von Mes~2~B[(η^6^-Mes)Cr(CO)~3~], MesB[(η^6^-Mes)Cr(CO)~3~]~2~ und B[(η^6^-Mes)Cr(CO)~3~]~3~. Redoxverhalten und Fragen der intramolekularen Wechselwirkung Chemische Berichte 129(7) (1996) 859-869
Space group: P -3
Cell volume: 1853.11
Cell parameters: 16.151; 16.151; 8.203; 90; 90; 120;  

COD ID: 1501596
CIF file Formula: - C24 H30 N3 O10 P -
Comments: Nadia Malek; Thierry Maris; Marie-Eve Perron; James D. Wuest Molecular Tectonics: Porous Cleavable Networks Constructed by Dipole-Directed Stacking of Hydrogen-Bonded Sheets Angew. Chem. Int. Ed. 44 (2005) 4021-4025
Space group: P -3
Cell volume: 1372.13
Cell parameters: 17.1474; 17.1474; 5.3885; 90; 90; 120;  

COD ID: 1501597
CIF file Formula: - C21 H24 N3 O10 P -
Comments: Nadia Malek; Thierry Maris; Marie-Eve Perron; James D. Wuest Molecular Tectonics: Porous Cleavable Networks Constructed by Dipole-Directed Stacking of Hydrogen-Bonded Sheets Angew. Chem. Int. Ed. 44 (2005) 4021-4025
Space group: P -3
Cell volume: 1304.21
Cell parameters: 16.9535; 16.9535; 5.2396; 90; 90; 120;  

COD ID: 1501598
CIF file Formula: - C24 H24 N3 O10 P -
Comments: Nadia Malek; Thierry Maris; Marie-Eve Perron; James D. Wuest Molecular Tectonics: Porous Cleavable Networks Constructed by Dipole-Directed Stacking of Hydrogen-Bonded Sheets Angew. Chem. Int. Ed. 44 (2005) 4021-4025
Space group: P -3
Cell volume: 1341.5
Cell parameters: 17.4823; 17.4823; 5.0683; 90; 90; 120;  

COD ID: 1508172
CIF file Formula: - C146 H118 O11 -
Comments: Kissel, Patrick; Erni, Rolf; Schweizer, W. Bernd; Rossell, Marta D.; King, Benjamin T.; Bauer, Thomas; Götzinger, Stephan; Schlüter, A Dieter; Sakamoto, Junji A two-dimensional polymer prepared by organic synthesis. Nature chemistry 4(4) (2012) 287-291
Space group: P -3
Cell volume: 5341.4
Cell parameters: 22.205; 22.205; 12.509; 90; 90; 120;  

COD ID: 1508817
CIF file Formula: - Mn5 O24 Pb S6 -
Comments: West, D.V.; McQueen, T.M.; Posen, I.D.; Ke, X.; Huang, Q.; Zandbergen, H.W.; Williams, A.J.; Schiffer, P.; Cava, R.J. The A2+Mn5(SO4)6 family of triangular lattice, ferrimagnetic sulfates Journal of Solid State Chemistry 182(6) (2009) 1343
Space group: P -3
Cell volume: 1381.71
Cell parameters: 14.55145; 14.55145; 7.53483; 90; 90; 120;  

COD ID: 1508818
CIF file Formula: - Mn5 O24 S6 Sr -
Comments: West, D.V.; McQueen, T.M.; Posen, I.D.; Ke, X.; Huang, Q.; Zandbergen, H.W.; Williams, A.J.; Schiffer, P.; Cava, R.J. The A2+Mn5(SO4)6 family of triangular lattice, ferrimagnetic sulfates Journal of Solid State Chemistry 182(6) (2009) 1343
Space group: P -3
Cell volume: 1369.72
Cell parameters: 14.5038; 14.5038; 7.51859; 90; 90; 120;  

COD ID: 1509758
CIF file Formula: - Ag25 Bi3 O18 -
Comments: Bortz, M.; Jansen, M. Ag25Bi3O18, eine potentiell valenzinstabile Bi(III)/ Bi(V) - Verbindung Angewandte Chemie (German Edition) 103 (1991) 841-842
Space group: P -3
Cell volume: 725.583
Cell parameters: 11.5887; 11.5887; 6.2386; 90; 90; 120;  

COD ID: 1510587
CIF file Formula: - Au7 In3 -
Comments: Puselj, M.; Schubert, K. Kristallstrukturen von Au9 In4 (h) und Au7 In3 Journal of the Less-Common Metals 41 (1975) 33-44
Space group: P -3
Cell volume: 1099.5
Cell parameters: 12.215; 12.215; 8.509; 90; 90; 120;  

COD ID: 1510824
CIF file Formula: - B2 Ru3 U -
Comments: Rogl, P. The crystal structure of Ru3 U B2 Journal of Nuclear Materials 92 (1980) 292-298
Space group: P -3
Cell volume: 616.662
Cell parameters: 10.9531; 10.9531; 5.9353; 90; 90; 120;  

COD ID: 1511335
CIF file Formula: - B0.83 Ca9.93 O25.79 P5.84 -
Comments: Ito, A.; Miura, N.; Akao, M.; Otsuka, R.; Tsutsumi, S. Flux growth and crystal structure of boron-containing apatite Nippon Seramikkusu Kyokai Gakujutsu Ronbunshi 96 (1988) 305-309
Space group: P -3
Cell volume: 534.699
Cell parameters: 9.456; 9.456; 6.905; 90; 90; 120;  

COD ID: 1511412
CIF file Formula: - B15 Ni W2 -
Comments: Haschke, H.; Benesovsky, F.; Nowotny, H. Bor-reiche Wolframboride Monatshefte fuer Chemie (-108,1977) 98 (1967) 547-554
Space group: P -3
Cell volume: 147.997
Cell parameters: 5.207; 5.207; 6.303; 90; 90; 120;  

COD ID: 1511712
CIF file Formula: - B9 W1.83 -
Comments: Benesovsky, F.; Haschke, H.; Nowotny, H. Bor-reiche Wolframcarbide Monatshefte fuer Chemie (-108,1977) 98 (1967) 547-554
Space group: P -3
Cell volume: 148.691
Cell parameters: 5.206; 5.206; 6.335; 90; 90; 120;  

COD ID: 1512366
CIF file Formula: - C47 H58.33 Cu2 N4 O8 -
Comments: Cordes, Jens; Murray, Philip R. D.; White, Andrew J. P.; Barrett, Anthony G. M. 1,7-Diazaspiro[5.5]undecane - A Neglected Heterocycle. Organic letters 15(19) (2013) 4992-4995
Space group: P -3
Cell volume: 3481.67
Cell parameters: 18.68118; 18.68118; 11.51988; 90; 90; 120;  

COD ID: 1512770
CIF file Formula: - C7 H9 Mg N O5 -
Comments: Paul J. Calderone; Debasis Banerjee; Anna M. Plonka; Sun Jin Kim; John B. Parise Temperature dependent structure formation and photoluminescence studies of a series of magnesium-based coordination networks Inorganica Chimica Acta 394 (2013) 452-458
Space group: P -3
Cell volume: 1348.1
Cell parameters: 13.9275; 13.9275; 8.025; 90; 90; 120;  

COD ID: 1512887
CIF file Formula: - C132 H124 Cl6 Cu6 Mn2 N24 O67 -
Comments: Xiao-Ming Shi; Chang-Xin Li; Xiao-Zeng Li; Shi Ren; Li-Na Zhu Polynuclear complexes of a new macrocyclic oxamide metalloligand: Syntheses, crystal structures and deoxyribonucleic acid cleavage and magnetic properties Inorganica Chimica Acta 395 (2013) 197-202
Space group: P -3
Cell volume: 4435.2
Cell parameters: 22.266; 22.266; 10.33; 90; 90; 120;  

COD ID: 1512925
CIF file Formula: - C6 H24 Br2 Ca O6 -
Comments: Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre Structural characterization of methanol substituted lanthanum halides Polyhedron 29(7) (2010) 1784-1795
Space group: P -3
Cell volume: 418.13
Cell parameters: 8.386; 8.386; 6.8655; 90; 90; 120;  

COD ID: 1513263
CIF file Formula: - C24 H30 O2 -
Comments: Olive, Alexandre G. L.; Raffy, Guillaume; Allouchi, Hassan; Léger, Jean-Michel; Del Guerzo, André; Desvergne, Jean-Pierre Striking Correlation between the Unusual Trigonal Crystal Packing and the Ability to Self-Assemble into Nanofibers of 2,3-Di-n-alkyloxyanthracenes† Langmuir 25(15) (2009) 8606-8614
Space group: P -3
Cell volume: 3132.9
Cell parameters: 14.5525; 14.5525; 17.0822; 90; 90; 120;  

COD ID: 1513265
CIF file Formula: - C28 H38 O2 -
Comments: Olive, Alexandre G. L.; Raffy, Guillaume; Allouchi, Hassan; Léger, Jean-Michel; Del Guerzo, André; Desvergne, Jean-Pierre Striking Correlation between the Unusual Trigonal Crystal Packing and the Ability to Self-Assemble into Nanofibers of 2,3-Di-n-alkyloxyanthracenes† Langmuir 25(15) (2009) 8606-8614
Space group: P -3
Cell volume: 3656
Cell parameters: 14.66; 14.66; 19.643; 90; 90; 120;  

COD ID: 1513877
CIF file Formula: - C30 H30 Er I3 N4 O3 -
Comments: Pedersen, Kasper S.; Ungur, Liviu; Sigrist, Marc; Sundt, Alexander; Schau-Magnussen, Magnus; Vieru, Veacheslav; Mutka, Hannu; Rols, Stephane; Weihe, Høgni; Waldmann, Oliver; Chibotaru, Liviu F.; Bendix, Jesper; Dreiser, Jan Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation Chemical Science 5(4) (2014) 1650
Space group: P -3
Cell volume: 1638
Cell parameters: 13.0245; 13.0245; 11.15; 90; 90; 120;  

COD ID: 1515776
CIF file Formula: - C45 H43 B2 F15 Ga N9 S3 -
Comments: Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science 1(2) (2010) 210
Space group: P -3
Cell volume: 2668.2
Cell parameters: 16.5444; 16.5444; 11.2559; 90; 90; 120;  

COD ID: 1515781
CIF file Formula: - C54 H86 B2 Ga2 I2 N18 S6 -
Comments: Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science 1(2) (2010) 210
Space group: P -3
Cell volume: 1945.1
Cell parameters: 11.4967; 11.4967; 16.993; 90; 90; 120;  

COD ID: 1516729
CIF file Formula: - C51 H42 Cu I N3 P3 -
Comments: Maini, Lucia; Mazzeo, Paolo P.; Farinella, Francesco; Fattori, Valeria; Braga, Dario Mechanochemical preparation of copper iodide clusters of interest for luminescent devices. Faraday discussions 170 (2014) 93-107
Space group: P -3
Cell volume: 2377.42
Cell parameters: 13.64705; 13.64705; 14.73999; 90; 90; 120;  

COD ID: 1517077
CIF file Formula: - C270.75 H371 Cd18 Cl8 N18 O105.92 Tb6 -
Comments: Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan; Jones, Jessica N.; Swaminathan, Jagannath; yang, xiao ping; Schipper, Desmond; Hall, Justin Walker; DePue, Lauren J.; Marcotte, Edward; Sessler, Jonathan; Ehrlich, Lauren I.; Brown, Katherine A.; Dieye, Yahkya; Vadivelu, Jamuna; Chandler, Don J. FD175: Lanthanide Nano-drums: A New Class of Molecular Nanoparticles for Potential Biomedical Applications Faraday Discussions (2014)
Space group: P -3
Cell volume: 55122
Cell parameters: 51.114; 51.114; 24.362; 90; 90; 120;  

COD ID: 1517080
CIF file Formula: - C273.75 H384.5 Cd18 Cl8 Eu6 N18 O109.67 -
Comments: Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan; Jones, Jessica N.; Swaminathan, Jagannath; yang, xiao ping; Schipper, Desmond; Hall, Justin Walker; DePue, Lauren J.; Marcotte, Edward; Sessler, Jonathan; Ehrlich, Lauren I.; Brown, Katherine A.; Dieye, Yahkya; Vadivelu, Jamuna; Chandler, Don J. FD175: Lanthanide Nano-drums: A New Class of Molecular Nanoparticles for Potential Biomedical Applications Faraday Discussions (2014)
Space group: P -3
Cell volume: 55660
Cell parameters: 51.304; 51.304; 24.418; 90; 90; 120;  

COD ID: 1518088
CIF file Formula: - K3 O8 P2 Sc -
Comments: Efremov, V. A.; Melnikov, P. P.; Komissarova, L. N. Sur de nouveaux composes de type glaserite Revue de Chimie Minerale 22 (1985) 666-675
Space group: P -3
Cell volume: 587.5
Cell parameters: 9.43; 9.43; 7.629; 90; 90; 120;  

COD ID: 1518089
CIF file Formula: - Cs K2 O8 P2 Sc -
Comments: Efremov, V. A.; Melnikov, P. P.; Komissarova, L. N. Sur de nouveaux composes de type glaserite Revue de Chimie Minerale 22 (1985) 666-675
Space group: P -3
Cell volume: 206.13
Cell parameters: 5.4836; 5.4836; 7.9157; 90; 90; 120;  

COD ID: 1518678
CIF file Formula: - C254 H317 Cd18 Cl8 Eu6 N18 O92 -
Comments: Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan F.; Jones, Jessica N.; Swaminathan, Jagannath; Yang, Xiaoping; Schipper, Desmond; Hall, Justin W.; DePue, Lauren J.; Dieye, Yakhya; Vadivelu, Jamuna; Chandler, Don J.; Marcotte, Edward M.; Sessler, Jonathan L.; Ehrlich, Lauren I. R.; Brown, Katherine A. Lanthanide nano-drums: a new class of molecular nanoparticles for potential biomedical applications Faraday Discuss. (2014)
Space group: P -3
Cell volume: 55664
Cell parameters: 51.305; 51.305; 24.419; 90; 90; 120;  

COD ID: 1518679
CIF file Formula: - C254 H317 Cd18 Cl8 N18 O92 Tb6 -
Comments: Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan F.; Jones, Jessica N.; Swaminathan, Jagannath; Yang, Xiaoping; Schipper, Desmond; Hall, Justin W.; DePue, Lauren J.; Dieye, Yakhya; Vadivelu, Jamuna; Chandler, Don J.; Marcotte, Edward M.; Sessler, Jonathan L.; Ehrlich, Lauren I. R.; Brown, Katherine A. Lanthanide nano-drums: a new class of molecular nanoparticles for potential biomedical applications Faraday Discuss. (2014)
Space group: P -3
Cell volume: 55122
Cell parameters: 51.114; 51.114; 24.362; 90; 90; 120;  

COD ID: 1519679
CIF file Formula: - C6 H24 Cl2 N36 O8 Zn -
Comments: Wang, Kun; Zeng, Dihao; Zhang, Jian-Guo; Cui, Yan; Zhang, Tong-Lai; Li, Zhi-Min; Jin, Xin Controllable explosion: fine-tuning the sensitivity of high-energy complexes. Dalton transactions (Cambridge, England : 2003) 44(28) (2015) 12497-12501
Space group: P -3
Cell volume: 797.6
Cell parameters: 11.8398; 11.8398; 6.57; 90; 90; 120;  

COD ID: 1521069
CIF file Formula: - Al12 Ca O27 Si4 -
Comments: Grey, I.E.; Hibberson, W.O.; Madsen, I.C.; O'Neill, H.S.C. Ca Al12 Si4 O27, a new high-pressure phase containing Al6 O19 clusters Journal of Solid State Chemistry 153 (2000) 391-397
Space group: P -3
Cell volume: 389.198
Cell parameters: 7.223; 7.223; 8.614; 90; 90; 120;  

COD ID: 1521808
CIF file Formula: - Ba0.3 Ce1.12 Cl0.021 F2 La0.62 Na1.98 Nd0.36 O24 P6 Sr5.54 -
Comments: Rakovan, J.F.; Hughes, J.M. Strontium in the apatite structure: strontian fluorapatite and belovite-(Ce) Canadian Mineralogist 38 (2000) 839-845
Space group: P -3
Cell volume: 580.284
Cell parameters: 9.659; 9.659; 7.182; 90; 90; 120;  

COD ID: 1524013
CIF file Formula: - D6 Na2 O6 Pt -
Comments: Bandel, G.; Muellner, M.; Troemel, M. Die Kristallstruktur von Na2 Pt (O D)6 Zeitschrift fuer Anorganische und Allgemeine Chemie 453 (1979) 5-8
Space group: P -3
Cell volume: 140.013
Cell parameters: 5.831; 5.831; 4.755; 90; 90; 120;  

COD ID: 1524089
CIF file Formula: - Mg2 Sn0.666667 -
Comments: Bolotina, N.B.; Bendeliani, N.A.; Dyuzheva, T.I.; Petricek, V.; Petrova, A.E.; Siminov, V.I. Growth of crystals, composite crystal structures and electrical resistance of high-pressure phases of Mg2 B1+x (B=Sn, Ge) Journal of Alloys Compd. 278 (1998) 29-33
Space group: P -3
Cell volume: 676.075
Cell parameters: 13.245; 13.245; 4.45; 90; 90; 120;  

COD ID: 1524090
CIF file Formula: - Ge0.666667 Mg2 -
Comments: Bolotina, N.B.; Petrova, A.E.; Dyuzheva, T.I.; Bendeliani, N.A.; Petricek, V.; Siminov, V.I. Growth of crystals, composite crystal structures and electrical resistance of high-pressure phases of Mg2 B1+x (B=Sn, Ge) Journal of Alloys Compd. 278 (1998) 29-33
Space group: P -3
Cell volume: 567.661
Cell parameters: 12.53; 12.53; 4.175; 90; 90; 120;  

COD ID: 1524899
CIF file Formula: - Ba4 F2 Na3 Nd3 O24 P6 -
Comments: Mathew, M.; Mayer, I.; Dickens, B.; Schroeder, L.W. Substitution in barium-fluoride apatite: The crystal structures of Ba10 (P O4)6 F2, Ba6 La2 Na2 (P O4)6 F2 and Ba4 Nd3 Na3 (P O4)6 F2 Journal of Solid State Chemistry 28 (1979) 79-95
Space group: P -3
Cell volume: 603.854
Cell parameters: 9.786; 9.786; 7.281; 90; 90; 120;  

COD ID: 1524913
CIF file Formula: - K2 O Pb2 Si2 -
Comments: McMurdie, H.F. X-ray studies of compounds in the system Pb O - B2 O3 and K2 O - Pb O - Si O2 Journal of Research of the National Bureau of Standards 26 (1941) 489-494
Space group: P -3
Cell volume: 208.348
Cell parameters: 5.63; 5.63; 7.59; 90; 90; 120;  

COD ID: 1526146
CIF file Formula: - Fe0.143 S3 Sr1.143 Ti0.857 -
Comments: Gourdon, O.; Whangbo Myunghwan; Evain, M.; Jeanneau, E.; Brec, R.; Jobic, S.; Koo, H.-J. Influence of metal-metal sigma bonding on the structures and physical properties of the hexagonal perovskite-type sulfides Sr9/8 Ti S3, Sr8/7 Ti S3 and Sr8/7 (Ti6/7 Fe1/7) S3 Journal of Solid State Chemistry 162 (2001) 103-112
Space group: P -3
Cell volume: 2401.31
Cell parameters: 11.4935; 11.4935; 20.99; 90; 90; 120;  

COD ID: 1526151
CIF file Formula: - C2.25 H5.875 Al0.652 Mn0.348 N0.375 O4.125 P -
Comments: Novak Tusar, N.; Ristic, A.; Meden, A.; Kaucic, V. Large-pore molecular sieve (Mn A P O)-50 : synthesis, single-crystal structure analysis and thermal stability Microporous and Mesoporous Materials 37 (2000) 303-311
Space group: P -3
Cell volume: 1285.95
Cell parameters: 12.746; 12.746; 9.14; 90; 90; 120;  

COD ID: 1526451
CIF file Formula: - La9.33 O26 Si6 -
Comments: Sansom, J.E.H.; Richings, D.; Slater, P.R. A powder neutron diffraction study of the oxide-ion-conducting apatite-type phases, La9.33 Si6 O26 and La8 Sr2 Si6 O26 Solid State Ionics 139 (2001) 205-210
Space group: P -3
Cell volume: 588.831
Cell parameters: 9.7248; 9.7248; 7.1895; 90; 90; 120;  

COD ID: 1526452
CIF file Formula: - La6.9 O26 Si6 Sr3.1 -
Comments: Sansom, J.E.H.; Richings, D.; Slater, P.R. A powder neutron diffraction study of the oxide-ion-conducting apatite-type phases, La9.33 Si6 O26 and La8 Sr2 Si6 O26 Solid State Ionics 139 (2001) 205-210
Space group: P -3
Cell volume: 590.769
Cell parameters: 9.7083; 9.7083; 7.2377; 90; 90; 120;  

COD ID: 1526587
CIF file Formula: - H6 K N3 Sn -
Comments: Scotti, N.; Jacobs, H. Kaliumtriamidostannat(II), K (Sn (N H2)3) - Synthese und Kristallstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie 626 (2000) 2275-2278
Space group: P -3
Cell volume: 276.269
Cell parameters: 6.56; 6.56; 7.413; 90; 90; 120;  

COD ID: 1527181
CIF file Formula: - Mn2 Na14 O9 -
Comments: Brachtel, G.; Hoppe, R. Das erste Oxomanganat(II): Na14 Mn2 O9= Na14 (Mn O4)2 O Zeitschrift fuer Anorganische und Allgemeine Chemie 438 (1978) 97-104
Space group: P -3
Cell volume: 360.249
Cell parameters: 6.669; 6.669; 9.353; 90; 90; 120;  

COD ID: 1527914
CIF file Formula: - Li2 N2 Th -
Comments: Palisaar, A.P.; Juza, R. Ternaere Nitride des Zirkons, Thoriums und Urans Zeitschrift fuer Anorganische und Allgemeine Chemie 384 (1971) 1-11
Space group: P -3
Cell volume: 196.642
Cell parameters: 6.398; 6.398; 5.547; 90; 90; 120;  

COD ID: 1528468
CIF file Formula: - Ba3 Nb20.8 O44 Si2 -
Comments: Evans, D.M.; Katz, L. The structure of the seven layer barium niobium silicon oxide, Ba3 Nb21-X Si2 O44 (x=0.2) Journal of Solid State Chemistry 6 (1973) 459-468
Space group: P -3
Cell volume: 877.452
Cell parameters: 7.774; 7.774; 16.765; 90; 90; 120;  

COD ID: 1528978
CIF file Formula: - Al K O8 S2 -
Comments: West, D.V.; Zandbergen, H.W.; Huang, Q.; McQueen, T.M.; Cava, R.J. Structural disorder, octahedral coordination and two-dimensional ferromagnetism im anhydrous alums Journal of Solid State Chemistry 181 (2008) 2768-2775
Space group: P -3
Cell volume: 154.07
Cell parameters: 4.7206; 4.7206; 7.9835; 90; 90; 120;  

COD ID: 1528979
CIF file Formula: - Cr K O8 S2 -
Comments: West, D.V.; Zandbergen, H.W.; Huang, Q.; Cava, R.J.; McQueen, T.M. Structural disorder, octahedral coordination and two-dimensional ferromagnetism im anhydrous alums Journal of Solid State Chemistry 181 (2008) 2768-2775
Space group: P -3
Cell volume: 157.666
Cell parameters: 4.7561; 4.7561; 8.0483; 90; 90; 120;  

COD ID: 1528980
CIF file Formula: - Cr O8 Rb S2 -
Comments: West, D.V.; Zandbergen, H.W.; Huang, Q.; McQueen, T.M.; Cava, R.J. Structural disorder, octahedral coordination and two-dimensional ferromagnetism im anhydrous alums Journal of Solid State Chemistry 181 (2008) 2768-2775
Space group: P -3
Cell volume: 165.937
Cell parameters: 4.785; 4.785; 8.3685; 90; 90; 120;  

COD ID: 1528981
CIF file Formula: - Mn5 O24 Pb S6 -
Comments: West, D.V.; Ke, X.; McQueen, T.M.; Zandbergen, H.W.; Posen, I.D.; Huang, Q.; Cava, R.J.; Williams, A.J.; Schiffer, P. The A(2+) Mn5 (S O4)6 family of triangular lattice, ferrimagnetic sulfates Journal of Solid State Chemistry 182 (2009) 1343-1350
Space group: P -3
Cell volume: 1367.24
Cell parameters: 14.4847; 14.4847; 7.5248; 90; 90; 120;  

COD ID: 1528982
CIF file Formula: - Mn5 O24 S6 Sr -
Comments: West, D.V.; McQueen, T.M.; Williams, A.J.; Posen, I.D.; Cava, R.J.; Huang, Q.; Ke, X.; Schiffer, P.; Zandbergen, H.W. The A(2+) Mn5 (S O4)6 family of triangular lattice, ferrimagnetic sulfates Journal of Solid State Chemistry 182 (2009) 1343-1350
Space group: P -3
Cell volume: 1386.75
Cell parameters: 14.5938; 14.5938; 7.5185; 90; 90; 120;  

COD ID: 1529190
CIF file Formula: - F5 K Sn2 -
Comments: Yamada, K.; Ahmad, M.M.; Fuess, H.; Okuda, T.; Ohki, H.; Ehrenberg, H. Structural phase transition of the two-dimensional fluoride ion conductor K Sn2 F5 studied by X-ray diffraction Solid State Ionics 167 (2004) 301-307
Space group: P -3
Cell volume: 156.578
Cell parameters: 4.2718; 4.2718; 9.9078; 90; 90; 120;  

COD ID: 1529191
CIF file Formula: - F5 K Sn2 -
Comments: Yamada, K.; Ohki, H.; Ahmad, M.M.; Fuess, H.; Okuda, T.; Ehrenberg, H. Structural phase transition of the two-dimensional fluoride ion conductor K Sn2 F5 studied by X-ray diffraction Solid State Ionics 167 (2004) 301-307
Space group: P -3
Cell volume: 447.889
Cell parameters: 7.266; 7.266; 9.796; 90; 90; 120;  

COD ID: 1529236
CIF file

HKL data

Formula: - C6 H15 N O4 -
Comments: M.G. Voronkov; E.A. Zelbst; A.D. Vasilev; M.S. Molokeev; G.A. Kuznetsova Oxatrane Is a Parent Compound of a New Atrane family: Crystal and Molecular Structure of Triethanolamine N-Oxide Doklady Chemistry 458(1) (2014) 172
Space group: P -3
Cell volume: 397.31
Cell parameters: 8.24015; 8.24015; 6.756612; 90; 90; 120;  

COD ID: 1529538
CIF file Formula: - H2 O6 P2 Zr -
Comments: Alberti, G.; Constantino, U.; Perego, G. Structural investigation on layered alpha-zirconium phosphite and zirconium phosphate-phosphites from X-ray powder data Journal of Solid State Chemistry 63 (1986) 455-460
Space group: P -3
Cell volume: 141.829
Cell parameters: 5.418; 5.418; 5.579; 90; 90; 120;  

COD ID: 1530452
CIF file Formula: - H6 In Na3 O15 S3 -
Comments: Mukhtarova, N.N.; Rastsvetaeva, R.K.; Ilyukhin, V.V.; Belov, N.V. Crystal structure of Na3 In (S O4)3 (H2 O)3 Doklady Akademii Nauk SSSR 244 (1979) 602-606
Space group: P -3
Cell volume: 1877.3
Cell parameters: 15.72; 15.72; 8.772; 90; 90; 120;  

COD ID: 1533168
CIF file Formula: - C0.75 H0.5 Ca10 O26.75 P6 -
Comments: Fleet, M.E.; Liu Xiaoyang Carbonate apatite type A synthesized at high pressure: new space group (P3-) and orientation of channel carbonate ion Journal of Solid State Chemistry 174 (2003) 412-417
Space group: P -3
Cell volume: 539.535
Cell parameters: 9.5211; 9.5211; 6.8725; 90; 90; 120;  

COD ID: 1533169
CIF file Formula: - C0.5 H Ca10 O26.5 P6 -
Comments: Fleet, M.E.; Liu Xiaoyang Carbonate apatite type A synthesized at high pressure: new space group (P3-) and orientation of channel carbonate ion Journal of Solid State Chemistry 174 (2003) 412-417
Space group: P -3
Cell volume: 536.466
Cell parameters: 9.4917; 9.4917; 6.8758; 90; 90; 120;  

COD ID: 1533174
CIF file Formula: - Ba5.886 Ce1.18 Cl0.59 F1.41 La0.3 Na2.34 Nd0.52 O24 P6 -
Comments: Friis, H.; Balic-Zunic, T.; Pekov, I.V.; Petersen, O.V. Kuannersuite-(Ce), Ba6 Na2 REE2 (P O4)6 F Cl, a new member of the apatite group, from the Ilimaussaq alkaline complex, South Greenland: description and crystal chemistry Canadian Mineralogist 42 (2004) 95-106
Space group: P -3
Cell volume: 629.558
Cell parameters: 9.9097; 9.9097; 7.4026; 90; 90; 120;  

COD ID: 1534954
CIF file Formula: - N18 W -
Comments: Haiges, R.; Boatz, J.A.; Bau, R.; Yousufuddin, M.; Schroer, T.; Schneider, S.; Christe, K.O. Polyazide chemistry: the first binary group 6 azides, Mo (N3)6, W (N3)6, [Mo (N3)7]-, and [W (N3)7-, the [N W (N3)4]- and [N Mo (N3)4]- Angew. Chem. Int. ed. 44 (2005) 1860-1865
Space group: P -3
Cell volume: 552.233
Cell parameters: 9.3962; 9.3962; 7.2225; 90; 90; 120;  

COD ID: 1535686
CIF file Formula: - Cl3 Fe -
Comments: Troyanov, S.I. Crystal structure of FeCl3 polytyped modifications Zhurnal Neorganicheskoi Khimii 38 (1993) 1946-1949
Space group: P -3
Cell volume: 2218.9
Cell parameters: 6.063; 6.063; 69.7; 90; 90; 120;  

COD ID: 1536250
CIF file Formula: - H Si -
Comments: Dahn, J.R.; Way, B.M.; Tse, J.S.; Fuller, E. Structures of siloxene and layered polysilane (Si6 H6) Physical Review, Serie 3. B - Condensed Matter (18,1978-) 48 (1993) 17872-17877
Space group: P -3
Cell volume: 68.6
Cell parameters: 3.83; 3.83; 5.4; 90; 90; 120;  

COD ID: 1537170
CIF file Formula: - As6 Cs22 Eu6 H112 K14 O254 W54 -
Comments: Fukaya, K.; Yamase, T. Alkali-metal-controlled self-assembly of crown-shaped ring complexes of lanthanide/(alpha-(As W9 O33))(9-): (K (Eu (H2 O)2 (alpha-(As W9 O33)))6)(35-) and (Cs (Eu (H2 O)2 (alpha-(As W9 O33)))4)(23-) Angew. Chem. Int. ed. 42 (2003) 654-658
Space group: P -3
Cell volume: 7388.38
Cell parameters: 23.56; 23.56; 15.3698; 90; 90; 120;  

COD ID: 1538336
CIF file Formula: - F30 O4 Ti7 -
Comments: Mueller, B.G. Zur Kenntnis von ((O2)2)2+ ((Ti7 F30)2- Journal of Fluorine Chemistry 17 (1981) 489-499
Space group: P -3
Cell volume: 584.74
Cell parameters: 10.192; 10.192; 6.5; 90; 90; 120;  

COD ID: 1539669
CIF file Formula: - K3 Lu O8 P2 -
Comments: Efremov, V.A.; Mel'nikov, P.P.; Komissarova, L.N. Distortion of the glaserite structure of K3 Lu (P O4)2 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)) 7 (1981) 467-471
Space group: P -3
Cell volume: 616.683
Cell parameters: 9.601; 9.601; 7.725; 90; 90; 120;  

COD ID: 1540768
CIF file Formula: - C60 I3.83 -
Comments: Zhou, O.; Cox, D.E. Structures of C60 intercalation compounds Journal of Physics and Chemistry of Solids 53 (1992) 1373-1390
Space group: P -3
Cell volume: 858.081
Cell parameters: 9.962; 9.962; 9.984; 90; 90; 120;  

COD ID: 1542228
CIF file Formula: - Fe H36 N9 O18 S6 -
Comments: Larsson, L.O.; Niinisto, L. The crystal structure of ammonium hexasulphitoferrate(III), (N H4)9 (Fe (S O)6) Acta Chemica Scandinavica (1-27,1973-42,1988) 27 (1973) 859-867
Space group: P -3
Cell volume: 652.105
Cell parameters: 10.2226; 10.2226; 7.2055; 90; 90; 120;  

COD ID: 1542912
CIF file Formula: - C111 H81 Br2 F18 N15 O22 Zn5 -
Comments: Bilbeisi, Rana A.; Prakasam, Thirumurugan; Lusi, Matteo; El Khoury, Roberto; Platas-Iglesias, Carlos; Charbonnière, Loïc J.; Olsen, John-Carl; Elhabiri, Mourad; Trabolsi, Ali [C‒H⋯anion] interactions mediate the templation and anion binding properties of topologically non-trivial metal‒organic structures in aqueous solutions Chem. Sci. 7(4) (2016) 2524
Space group: P -3
Cell volume: 7555
Cell parameters: 23.023; 23.023; 16.459; 90; 90; 120;  

COD ID: 1544333
CIF file Formula: - Ba Ca2 Mg O8 Si2 -
Comments: Park, C.-H.; Kim, T.-H.; Yonesaki, Y.; Kumada, N. A re-investigation of the crystal structure and luminescence of BaCa2MgSi2O8:Eu2+ Journal of Solid State Chemistry 184 (2011) 1566-1570
Space group: P -3
Cell volume: 173.31
Cell parameters: 5.42708; 5.42708; 6.79455; 90; 90; 120;  

COD ID: 1544369
CIF file Formula: - C60 H72 Br2 F48 I6 K2 N4 O12 -
Comments: Kumar, Vijith; Pilati, Tullio; Terraneo, Giancarlo; Meyer, Franck; Metrangolo, Pierangelo; Resnati, Giuseppe Halogen bonded Borromean networks by design: topology invariance and metric tuning in a library of multi-component systems Chem. Sci. 8(3) (2017) 1801
Space group: P -3
Cell volume: 2416.5
Cell parameters: 11.727; 11.727; 20.29; 90; 90; 120;  

COD ID: 1545123
CIF file Formula: - O9 S Zr3 -
Comments: Li, C.; Daimon, K.; Murase, Y.; Kato, E. Crystal structure of anhydrous zirconium oxide sulfate Journal of the Ceramic Society of Japan 96 (1988) 980-984
Space group: P -3
Cell volume: 353.4
Cell parameters: 6.31; 6.31; 10.25; 90; 90; 120;  

COD ID: 1548084
CIF file Formula: - C51 H29 N3 O13 Zn3 -
Comments: Huajun He; En Ma; Yuanjing Cui; Jiancan Yu; Yu Yang; Tao Song; Chuan-De Wu; Xueyuan Chen; Banglin Chen; Guodong Qian Polarized three-photon-pumped laser in a single MOF microcrystal Nature Communications 7 (2016) 11087
Space group: P -3
Cell volume: 2403.91
Cell parameters: 13.05; 13.05; 16.2992; 90; 90; 120;  

COD ID: 1548211
CIF file Formula: - Ba Mg Na2 O8 P2 -
Comments: Yonesaki, Y.; Matsuda, C. Crystal structure of Na2MMgP2O8 (M: Ba, Sr, Ca) orthophosphates and their luminescence properties activated by Eu2+; analogous structural behaviors of glaserite-type phosphats and silicates Journal of Solid State Chemistry 184 (2011) 3247-3252
Space group: P -3
Cell volume: 170.36
Cell parameters: 5.3043; 5.3043; 6.9915; 90; 90; 120;  

COD ID: 1551740
CIF file Formula: - C30 H33 N4 O3 Tb -
Comments: NAGAHARA, Keiko; KANESATO, Masatoshi; SATO, Ken-ichi; GOTO, Midori Synthesis and Crystal Structure of a Terbium(III) Complex of Tris(2-(2-hydroxy-3-methylbenzylideneamino)ethyl)amine X-ray Structure Analysis Online 27 (2011) 9
Space group: P -3
Cell volume: 1413.24
Cell parameters: 12.2874; 12.2874; 10.8085; 90; 90; 120;  

COD ID: 1552872
CIF file Formula: - C60 H45 N3 P4 -
Comments: Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H. Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations Catalysis Science & Technology (2019)
Space group: P -3
Cell volume: 10406.1
Cell parameters: 35.1836; 35.1836; 9.7068; 90; 90; 120;  

COD ID: 1556478
CIF file Formula: - C66 H84 N6 O6 Sn2 -
Comments: Zeckert, K. Monoanionic Tin Oligomers Featuring Sn-Sn or Sn-Pb Bonds: Synthesis and Characterization of a Tris(Triheteroarylstannyl)Stannate and -Plumbate Inorganics 4 (2016) 19
Space group: P -3
Cell volume: 1586.28
Cell parameters: 14.4547; 14.4547; 8.7666; 90; 90; 120;  

COD ID: 1561564
CIF file Formula: - Ba Li2 Mn O8 V2 -
Comments: Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W. Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase Journal of Solid State Chemistry 236 (2016) 61-68
Space group: P -3
Cell volume: 176.89
Cell parameters: 5.2887; 5.2887; 7.3026; 90; 90; 120;  

COD ID: 1561680
CIF file Formula: - K Mo O7 Te1.67 -
Comments: Fukina, D.G.; Suleimanov, E.V.; Nezhdanov, A.V.; Istomin, L.A. The new tellurium compounds: Na1.5Te2Mo0.5O6.25 and K6(Te94+Te6+)Mo6O42 Journal of Solid State Chemistry 277 (2019) 337-345
Space group: P -3
Cell volume: 986.144
Cell parameters: 12.0074; 12.0074; 7.8979; 90; 90; 120;  

COD ID: 1561967
CIF file Formula: - C108 H160 Cu6 Mo36 N48 O130 P3 -
Comments: Li, Na; Mu, Bao; Lv, Lei; Huang, Rudan Assembly of new polyoxometalate‒templated metal‒organic frameworks based on flexible ligands Journal of Solid State Chemistry 226 (2015) 88-93
Space group: P -3
Cell volume: 5393.3
Cell parameters: 22.2664; 22.2664; 12.561; 90; 90; 120;  

COD ID: 1561968
CIF file Formula: - C108 H160 Cu6 Mo36 N48 O122 P3 -
Comments: Li, Na; Mu, Bao; Lv, Lei; Huang, Rudan Assembly of new polyoxometalate‒templated metal‒organic frameworks based on flexible ligands Journal of Solid State Chemistry 226 (2015) 88-93
Space group: P -3
Cell volume: 5418.9
Cell parameters: 22.2807; 22.2807; 12.6044; 90; 90; 120;  

COD ID: 1561969
CIF file Formula: - C108 H156 Cl Mo36 N48 Ni6 O126 P3 -
Comments: Li, Na; Mu, Bao; Lv, Lei; Huang, Rudan Assembly of new polyoxometalate‒templated metal‒organic frameworks based on flexible ligands Journal of Solid State Chemistry 226 (2015) 88-93
Space group: P -3
Cell volume: 5398.5
Cell parameters: 22.2555; 22.2555; 12.5854; 90; 90; 120;  

COD ID: 1562089
CIF file Formula: - C7 H9 Cd N O5 -
Comments: Lei, Xiao-Ping; Lian, Ting-Ting; Chen, Shu-Mei; Zhang, Jian Tuning the formations of metal-1,3,5-benzenetricarboxylate frameworks via the assistance of amino acids Journal of Solid State Chemistry 223 (2015) 44-52
Space group: P -3
Cell volume: 1478.39
Cell parameters: 14.3563; 14.3563; 8.2827; 90; 90; 120;  

COD ID: 1563548
CIF file Formula: - K2 N6 O18 Th -
Comments: Sigmon, Ginger E.; Burns, Peter C. Crystal chemistry of thorium nitrates and chromates Journal of Solid State Chemistry 183(7) (2010) 1604-1608
Space group: P -3
Cell volume: 1064.71
Cell parameters: 13.606; 13.606; 6.6411; 90; 90; 120;  

COD ID: 1563701
CIF file Formula: - B1.5 O26 P5.5 Sr10 -
Comments: Chen, Shuang; Hoffmann, Stefan; Carrillo-Cabrera, Wilder; Akselrud, Lev G.; Prots, Yurii; Schwarz, Ulrich; Zhao, Jing-Tai; Kniep, Rüdiger Sr10[(PO4)5.5(BO4)0.5](BO2): Growth and crystal structure of a strontium phosphate orthoborate metaborate closely related to the apatite-type crystal structure Journal of Solid State Chemistry 183(3) (2010) 658-661
Space group: P -3
Cell volume: 607.29
Cell parameters: 9.7973; 9.7973; 7.3056; 90; 90; 120;  

COD ID: 1563736
CIF file Formula: - F5 Rb Sn2 -
Comments: Berastegui, P.; Hull, S.; Eriksson, S.G. A high temperature superionic phase of CsSn2F5 Journal of Solid State Chemistry 183(2) (2010) 373-378
Space group: P -3
Cell volume: 167.29
Cell parameters: 4.3581; 4.3581; 10.1704; 90; 90; 120;  

COD ID: 1565174
CIF file Formula: - C19 H25 Co N2 O6 -
Comments: Nesterova, Oksana V.; Kuznetsov, Maxim L.; Pombeiro, Armando J. L.; Shul'pin, Georgiy B.; Nesterov, Dmytro S. Homogeneous oxidation of C–H bonds with m-CPBA catalysed by a Co/Fe system: mechanistic insights from the point of view of the oxidant Catalysis Science & Technology 12(1) (2022) 282-299
Space group: P -3
Cell volume: 2925.1
Cell parameters: 17.5321; 17.5321; 10.9885; 90; 90; 120;  

COD ID: 1565814
CIF file Formula: - C77 H81.33 Cl4.17 Co2 N8 O1.67 -
Comments: Zhou, Weinan; Sarma, Tridib; Su, Yonghuan; Lei, Chuanhu; Sessler, Jonathan L. Kinetic trapping of a cobalt(ii) metallocage using a carbazole-containing expanded carbaporphyrinoid ligand Chemical Science 13(3) (2022) 692-697
Space group: P -3
Cell volume: 13035.1
Cell parameters: 31.1312; 31.1312; 15.5307; 90; 90; 120;  

COD ID: 1568541
CIF file Formula: - C9 H0 La0.67 N O4 S -
Comments: Zhao, Xu; Sun, Lu; Zhai, Zhouxiao; Tian, Di; Wang, Ying; Zou, Xiaoqin; Min, Chungang; Zhuang, Changfu An ultrastable La-MOF for catalytic hydrogen transfer of furfural: <i>in situ</i> activation of the surface. Nanoscale 15(14) (2023) 6645-6654
Space group: P -3
Cell volume: 2281.7
Cell parameters: 16.454; 16.454; 9.7316; 90; 90; 120;  

COD ID: 1568707
CIF file Formula: - C26 H28 Fe N2 O6 -
Comments: Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J. Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains. Chemical science 14(15) (2023) 4083-4090
Space group: P -3
Cell volume: 2254.8
Cell parameters: 18.2429; 18.2429; 7.8233; 90; 90; 120;  

COD ID: 1568709
CIF file Formula: - C26 H28 Fe N2 O6 -
Comments: Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J. Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains. Chemical science 14(15) (2023) 4083-4090
Space group: P -3
Cell volume: 2211.3
Cell parameters: 18.092; 18.092; 7.801; 90; 90; 120;  

COD ID: 1569485
CIF file Formula: - C18 H10 Cl Cu F6 N3 P -
Comments: Nakano, Akiyuki; Raut, Vivek S.; Asao, Naoki; Ando, Akane; Fujisawa, Kiyoshi; Higashimura, Hideyuki Enzyme-inspired catalysts with high activity and selectivity for oxidative polymerization of 2-phenylphenol Catalysis Science & Technology 13(17) (2023) 4968-4977
Space group: P -3
Cell volume: 2426.3
Cell parameters: 10.9907; 10.9907; 23.1929; 90; 90; 120;  

COD ID: 1569909
CIF file Formula: - C39 H27 N3 -
Comments: Fang, Lingyi; Zhang, Yuyan; Cai, Yaohang; Zhang, Jing; Wei, Yuefang; Yuan, Yi; Wang, Peng Solution-processable organic semiconductors with over 220 °C glass transition temperature: manipulating morphology using a helical polycyclic heteroaromatic motif Energy & Environmental Science 16(11) (2023) 5231-5242
Space group: P -3
Cell volume: 5688.7
Cell parameters: 19.8544; 19.8544; 16.6635; 90; 90; 120;  

COD ID: 1570054
CIF file Formula: - O25 P6 Pb10 -
Comments: Krivovichev, Sergey V.; Engel, Günther The Crystal Structure of Pb10(PO4)6O Revisited: The Evidence of Superstructure Crystals 13(9) (2023) 1371
Space group: P -3
Cell volume: 1237.06
Cell parameters: 9.8109; 9.8109; 14.8403; 90; 90; 120;  

COD ID: 1570268
CIF file Formula: - Cd5 Cl7 P2 Sm -
Comments: Qiu, Zhi-Xin; Zheng, Zhe-Xiong; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong The first polyanion-substitution-driven centrosymmetric-to-noncentrosymmetric structural transformation realizing an excellent nonlinear optical supramolecule [Cd<sub>4</sub>P<sub>2</sub>][CdBr<sub>4</sub>]. Chemical science 14(46) (2023) 13568-13573
Space group: P -3
Cell volume: 1128
Cell parameters: 13.35; 13.35; 7.308; 90; 90; 120;  

COD ID: 2002151
CIF file Formula: - Ag2 Ba Mn O8 V2 -
Comments: Rettich, R; Mueller-Buschbaum, H Zur Kristallchemie der Silber-Mangan-Oxovanadate Ag2 Ba Mn V2 O8 und (Ag Ca2) Mn2 (V O4)3 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 53 (1998) 291-295
Space group: P -3
Cell volume: 195.3
Cell parameters: 5.5693; 5.5693; 7.2706; 90; 90; 120;  

COD ID: 2002226
CIF file Formula: - Cr1.5 Mn1.5 O9 Sr3 -
Comments: Sander, K; Mueller-Buschbaum, Hk Zur Kenntnis von Sr2 Cr Mn O6 Zeitschrift fuer Anorganische und Allgemeine Chemie 451 (1979) 31-34
Space group: P -3
Cell volume: 168.7
Cell parameters: 5.416; 5.416; 6.64; 90; 90; 120;  

COD ID: 2003387
CIF file

Original IUCr paper

Formula: - C13 H12 S2 -
Comments: Pilati, T. Five 3,3'-Bridged 2,2'-Dithiophenes Acta Crystallographica Section C 51(4) (1995) 690-697
Space group: P -3
Cell volume: 5168
Cell parameters: 21.792; 21.792; 12.566; 90; 90; 120;  

COD ID: 2003540
CIF file

Original IUCr paper

Formula: - Ce K2 N6 O18 -
Comments: Guillou, N.; Louër, M.; Auffrédic, J. P.; Louër, D. Two Polymorphic Forms of Ceric Potassium Nitrate, K~2~Ce(NO~3~)~6~ Acta Crystallographica Section C 51(6) (1995) 1029-1032
Space group: P -3
Cell volume: 1063.06
Cell parameters: 13.5737; 13.5737; 6.6624; 90; 90; 120;  

COD ID: 2003788
CIF file

Original IUCr paper

Formula: - C14 H36 F6 Hg O12 S8 -
Comments: Hook, J. M.; Dean, P. A. W.; Hockless, D. C. R. Hexakis(dimethyl sulfoxide)mercury(II) Trifluoromethanesulfonate, a Standard for Solid-State ^199^Hg NMR Acta Crystallographica Section C 51(8) (1995) 1547-1549
Space group: P -3
Cell volume: 864.6
Cell parameters: 12.195; 12.1952; 6.713; 90; 90; 120;  

COD ID: 2006328
CIF file

Original IUCr paper

Formula: - F6 H12 Mn O6 Si -
Comments: Torii, Akira; Ogawa, Kazuhide; Tamura, Hatsue; Osaki, Kenji Room-Temperature Form of Manganese Hexafluorosilicate Hexahydrate: a New Model with Submicroscopic Twinning Acta Crystallographica Section C 53(7) (1997) 833-836
Space group: P -3
Cell volume: 796.7
Cell parameters: 9.672; 9.672; 9.834; 90; 90; 120;  

COD ID: 2008115
CIF file

Original IUCr paper

Formula: - C42 H60 Cr N3 O3 -
Comments: Martin, Lisandra L.; Taylor, Max R.; Bei Wu [1,4,7-Tris(3-<i>tert</i>-butyl-5-methyl-2-hydroxybenzyl)-1,4,7-triazacyclononanato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>,<i>O</i>',<i>O</i>'']chromium(III) Acta Crystallographica Section C 55(1) (1999) 41-43
Space group: P -3
Cell volume: 1915.2
Cell parameters: 14.936; 14.936; 9.913; 90; 90; 120;  

COD ID: 2012544
CIF file

HKL data

Original IUCr paper

Formula: - C18 H24 As2 Cu F12 N12 -
Comments: Otieno, Tom; Blanton, Jaime R.; Hatfield, M. Jason; Asher, Sherry L.; Parkin, Sean A copper(II)‒pyrazole complex cation with f̱ øverline 3 imposed symmetry Acta Crystallographica Section C 58(3) (2002) m182-m185
Space group: P -3
Cell volume: 726.5
Cell parameters: 10.178; 10.178; 8.098; 90; 90; 120;  

COD ID: 2012545
CIF file

HKL data

Original IUCr paper

Formula: - C18 H24 Cl0.714 Cu F7.716 N12 O2.86 P1.29 -
Comments: Otieno, Tom; Blanton, Jaime R.; Hatfield, M. Jason; Asher, Sherry L.; Parkin, Sean A copper(II)‒pyrazole complex cation with f̱ øverline 3 imposed symmetry Acta Crystallographica Section C 58(3) (2002) m182-m185
Space group: P -3
Cell volume: 696.63
Cell parameters: 9.995; 9.995; 8.052; 90; 90; 120;  

COD ID: 2012802
CIF file

HKL data

Original IUCr paper

Formula: - C27 H24 Fe N3 O6 -
Comments: Kooijman, Huub; Spek, Anthony L.; Hoogenraad, Marcel; Bouwman, Elisabeth; Haasnoot, Jaap G.; Reedijk, Jan Tris[2-(2-oxazolin-2-yl)phenolato]iron(III) Acta Crystallographica Section C 58(7) (2002) m390-m392
Space group: P -3
Cell volume: 1228.5
Cell parameters: 14.882; 14.882; 6.4052; 90; 90; 120;  

COD ID: 2013079
CIF file

HKL data

Original IUCr paper

Formula: - C55 H45 I O Rh Sb3 -
Comments: Otto, Stefanus; Roodt, Andreas <i>trans</i>-Carbonyliodotris(triphenylstibine-κ<i>Sb</i>)rhodium(I) Acta Crystallographica Section C 58(12) (2002) m565-m566
Space group: P -3
Cell volume: 2518.1
Cell parameters: 14.462; 14.462; 13.902; 90; 90; 120;  

COD ID: 2013767
CIF file

HKL data

Original IUCr paper

Formula: - C6 H11 N O -
Comments: Lutz, Martin; Spek, Anthony L.; Dabirian, Reza; van Walree, Cornelis A.; Jenneskens, Leonardus W. Twinning by merohedry in cyclohexanone oxime: a revised structure Acta Crystallographica Section C 60(2) (2004) o127-o129
Space group: P -3
Cell volume: 2914.5
Cell parameters: 20.983; 20.983; 7.6436; 90; 90; 120;  

COD ID: 2013768
CIF file

HKL data

Original IUCr paper

Formula: - C6 H11 N O -
Comments: Lutz, Martin; Spek, Anthony L.; Dabirian, Reza; van Walree, Cornelis A.; Jenneskens, Leonardus W. Twinning by merohedry in cyclohexanone oxime: a revised structure Acta Crystallographica Section C 60(2) (2004) o127-o129
Space group: P -3
Cell volume: 2905.88
Cell parameters: 20.983; 20.983; 7.621; 90; 90; 120;  

COD ID: 2015212
CIF file

HKL data

Original IUCr paper

Formula: - Co K4 Mo4 O15 -
Comments: Engel, Jens; Ehrenberg, Helmut; Fuess, Hartmut The K~2<i>n~</i>CoMo~2+<i>n~</i>O~7+4<i>n~</i> family of structures, with <i>n</i> = 2, 3 or 5 Acta Crystallographica Section C 61(11) (2005) i111-i112
Space group: P -3
Cell volume: 745.53
Cell parameters: 10.292; 10.292; 8.1271; 90; 90; 120;  

COD ID: 2017665
CIF file

HKL data

Original IUCr paper

Formula: - Ag2.535 Mo12 Se15 Tl2 -
Comments: Gougeon, P.; Gall, P.; Gautier, R.; Potel, M. Ag~2.54~Tl~2~Mo~12~Se~15~: a new structure type containing Mo~6~ and Mo~9~ clusters Acta Crystallographica Section C 66(6) (2010) i67-i70
Space group: P -3
Cell volume: 1344.47
Cell parameters: 9.9962; 9.9962; 15.5364; 90; 90; 120;  

COD ID: 2017835
CIF file

HKL data

Original IUCr paper

Formula: - C6 H24 N6 O4 S Zn -
Comments: Lutz, Martin Twinned low-temperature structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate Acta Crystallographica Section C 66(11) (2010) m330-m335
Space group: P -3
Cell volume: 663.478
Cell parameters: 8.8941; 8.8941; 9.68482; 90; 90; 120;  

COD ID: 2020184
CIF file Formula: - Br2 H12 Ni O14 -
Comments: Gallucci, J.C.; Gerkin, R.E.; Reppart, W.J. Structure of nickel(II) perbromate hexahydrate at 169K Acta Crystallographica C (39,1983-) 44 (1988) 1345-1348
Space group: P -3
Cell volume: 277.03
Cell parameters: 7.817; 7.817; 5.235; 90; 90; 120;  

COD ID: 2020269
CIF file Formula: - Mo2 O8 Th -
Comments: Larson, E.M.; Eller, P.G.; Cremers, T.L.; Penneman, R.A.; Herrick, C.C. Structure of trigonal thorium molybdate Acta Crystallographica C (39,1983-) 45 (1989) 1669-1672
Space group: P -3
Cell volume: 1672.07
Cell parameters: 17.593; 17.593; 6.238; 90; 90; 120;  

COD ID: 2100563
CIF file

Original IUCr paper

Formula: - C4 H10 O -
Comments: P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O) Acta Crystallographica, Section B 62(4) (2006) 599-605
Space group: P -3
Cell volume: 2155
Cell parameters: 17.55; 17.55; 8.08; 90; 90; 120;  

COD ID: 2100564
CIF file

Original IUCr paper

Formula: - C4 H10 O -
Comments: P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C~4~H~10~O) Acta Crystallographica Section B 62(4) (2006) 599-605
Space group: P -3
Cell volume: 2383
Cell parameters: 18.0946; 18.0946; 8.4041; 90; 90; 120;  

COD ID: 2100567
CIF file

Original IUCr paper

Formula: - C4 H10 O -
Comments: P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O) Acta Crystallographica, Section B 62(4) (2006) 599-605
Space group: P -3
Cell volume: 2112.5
Cell parameters: 17.4389; 17.4389; 8.021; 90; 90; 120;  

COD ID: 2100568
CIF file

Original IUCr paper

Formula: - C4 H10 O -
Comments: P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O) Acta Crystallographica, Section B 62(4) (2006) 599-605
Space group: P -3
Cell volume: 2170.76
Cell parameters: 17.5898; 17.5898; 8.1014; 90; 90; 120;  

COD ID: 2102131
CIF file

Original IUCr paper

Formula: - K3 Nd O17 Si7 -
Comments: Haile, S. M.; Wuensch, B. J. X-ray diffraction study of K~3~NdSi~7~O~17~: a new framework silicate with a linear Si—O—Si bond Acta Crystallographica Section B 56(5) (2000) 773-779
Space group: P -3
Cell volume: 1616.9
Cell parameters: 16.131; 16.131; 7.175; 90; 90; 120;  

COD ID: 2103212
CIF file

Original IUCr paper

Formula: - C12 H10 B Mn N6 O3 -
Comments: Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H. Some 60 new space-group corrections Acta Crystallographica Section B 58(1) (2002) 62-77
Space group: P -3
Cell volume: 912.061
Cell parameters: 11.522; 11.522; 7.933; 90; 90; 120;  

COD ID: 2103213
CIF file

Original IUCr paper

Formula: - C12 H10 B N6 O3 Tc -
Comments: Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H. Some 60 new space-group corrections Acta Crystallographica Section B 58(1) (2002) 62-77
Space group: P -3
Cell volume: 920.885
Cell parameters: 11.464; 11.464; 8.091; 90; 90; 120;  

COD ID: 2103343
CIF file

Original IUCr paper

Formula: - C48 H76 Fe5 N12 O2 S18 -
Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899
Space group: P -3
Cell volume: 1799.9
Cell parameters: 12.038; 12.038; 14.342; 90; 90; 120;  

COD ID: 2103344
CIF file

Original IUCr paper

Formula: - C7 H29 B11 N2 -
Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899
Space group: P -3
Cell volume: 7816.11
Cell parameters: 27.171; 27.171; 12.225; 90; 90; 120;  

COD ID: 2105421
CIF file Formula: - B0.996 Na0.209 O26 P6 Sr9.402 -
Comments: Calvo, C.; Faggiani, R.; Krishnamachari, N. The crystal structure of sodium strontium boron dioxide hexaphosphate - a deviant apatite Acta Crystallographica B (24,1968-38,1982) 31 (1975) 188-192
Space group: P -3
Cell volume: 597.29
Cell parameters: 9.734; 9.734; 7.279; 90; 90; 120;  

COD ID: 2106039
CIF file Formula: - H12 N6 Rb2 Sn -
Comments: Chevalier, P.; Ritsma, J.; Rouxel, J. Structure de Rb2 Sn (N H2)6 et K2 Sn (N H2)6 Acta Crystallographica B (24,1968-38,1982) 33 (1977) 1076-1079
Space group: P -3
Cell volume: 221.643
Cell parameters: 6.66; 6.66; 5.77; 90; 90; 120;  

COD ID: 2106141
CIF file Formula: - Ca O2 P2 Zn2 -
Comments: Czaya, R. Dehydration and transformation phases of Scholzite Ca Zn2 (P O4)2 (H2 O)2 Acta Crystallographica B (24,1968-38,1982) 28 (1972) 322-323
Space group: P -3
Cell volume: 178.232
Cell parameters: 5.18; 5.18; 7.67; 90; 90; 120;  

COD ID: 2106538
CIF file Formula: - Bi2 O6 U -
Comments: Koster, A.S.; Renaud, J.P.P.; Rieck, G.D. The crystal structures at 295 and 1275 K of bismuth uranate, Bi2 U O6 Acta Crystallographica B (24,1968-38,1982) 31 (1975) 127-131
Space group: P -3
Cell volume: 140.282
Cell parameters: 4.045; 4.045; 9.9; 90; 90; 120;  

COD ID: 2106786
CIF file Formula: - F6 K Na Th -
Comments: Brunton, G. The crystal structure of K Na Th F6 Acta Crystallographica B (24,1968-38,1982) 26 (1970) 1185-1187
Space group: P -3
Cell volume: 271.852
Cell parameters: 6.3073; 6.3073; 7.8907; 90; 90; 120;  

COD ID: 2107217
CIF file Formula: - K2 O3 Te -
Comments: Andersen, L.; Langer, V.; Stroemberg, A.; Stroemberg, D. The structure of K2 Te O3 - an experimental and theoretical study Acta Crystallographica B (39,1983-) 45 (1989) 344-348
Space group: P -3
Cell volume: 241.362
Cell parameters: 6.279; 6.279; 7.069; 90; 90; 120;  

COD ID: 2108073
CIF file

HKL data

Formula: - C38 H46 Br4 Co N2 O4 -
Comments: Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B 73(2) (2017) 304-312
Space group: P -3
Cell volume: 3155.72
Cell parameters: 20.1281; 20.1281; 8.9942; 90; 90; 120;  

COD ID: 2108074
CIF file

HKL data

Formula: - C38 H46 Br4 Co N2 O4 -
Comments: Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B 73(2) (2017) 304-312
Space group: P -3
Cell volume: 3202.4
Cell parameters: 20.255; 20.255; 9.0132; 90; 90; 120;  

COD ID: 2108075
CIF file

HKL data

Formula: - C38 H46 Br4 Co N2 O4 -
Comments: Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B 73(2) (2017) 304-312
Space group: P -3
Cell volume: 3233.3
Cell parameters: 20.3624; 20.3624; 9.0045; 90; 90; 120;  

COD ID: 2108076
CIF file

HKL data

Formula: - C38 H46 Br4 Co N2 O4 -
Comments: Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B 73(2) (2017) 304-312
Space group: P -3
Cell volume: 3271.9
Cell parameters: 20.4697; 20.4697; 9.0166; 90; 90; 120;  

COD ID: 2108077
CIF file

HKL data

Formula: - C38 H46 Br4 Co N2 O4 -
Comments: Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B 73(2) (2017) 304-312
Space group: P -3
Cell volume: 3356.7
Cell parameters: 20.688; 20.688; 9.0563; 90; 90; 120;  

COD ID: 2108078
CIF file

HKL data

Formula: - C38 H46 Cl4 Co N2 O4 -
Comments: Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B 73(2) (2017) 304-312
Space group: P -3
Cell volume: 3085.5
Cell parameters: 20.0094; 20.0094; 8.8987; 90; 90; 120;  

COD ID: 2108079
CIF file

HKL data

Formula: - C38 H46 Cl4 Co N2 O4 -
Comments: Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B 73(2) (2017) 304-312
Space group: P -3
Cell volume: 3144
Cell parameters: 20.166; 20.166; 8.9271; 90; 90; 120;  

COD ID: 2108080
CIF file

HKL data

Formula: - C38 H46 Cl4 Co N2 O4 -
Comments: Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B 73(2) (2017) 304-312
Space group: P -3
Cell volume: 3170
Cell parameters: 20.243; 20.243; 8.933; 90; 90; 120;  

COD ID: 2108081
CIF file

HKL data

Formula: - C38 H46 Cl4 Co N2 O4 -
Comments: Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B 73(2) (2017) 304-312
Space group: P -3
Cell volume: 3203
Cell parameters: 20.334; 20.334; 8.945; 90; 90; 120;  

COD ID: 2108082
CIF file

HKL data

Formula: - C38 H46 Cl4 Co N2 O4 -
Comments: Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B. Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes Acta Crystallographica Section B 73(2) (2017) 304-312
Space group: P -3
Cell volume: 3327
Cell parameters: 20.643; 20.643; 9.015; 90; 90; 120;  

COD ID: 2108981
CIF file

HKL data

Original IUCr paper

Formula: - C6 H24 Co2 N6 O15 -
Comments: Filatov, Evgeny; Lagunova, Varvara; Kochetygov, Ilia; Plyusnin, Pavel; Kuratieva, Natalia; Kostin, Gennadiy; Korenev, Sergey Synthesis and investigation of the thermal properties of [Co(NH~3~)~6~][Co(C~2~O~4~)~3~]·3H~2~O and [Ir(NH~3~)~6~][Ir(C~2~O~4~)~3~] Acta Crystallographica Section B 78(3 Part 2) (2022)
Space group: P -3
Cell volume: 2808.21
Cell parameters: 12.3686; 12.3686; 21.1962; 90; 90; 120;  

COD ID: 2200787
CIF file

HKL data

Original IUCr paper

Formula: - C12 H36 Br7 Cd2 N3 -
Comments: Willett, Roger D.; Twamley, Brendan Diethylammonium heptabromidedicadmium(II) Acta Crystallographica Section E 57(12) (2001) m573-m575
Space group: P -3
Cell volume: 1422.31
Cell parameters: 15.5665; 15.5665; 6.7777; 90; 90; 120;  

COD ID: 2203798
CIF file

HKL data

Original IUCr paper

Formula: - C18 H18 Cr F9 N4 O12 S3 -
Comments: Terasaki, Yukiko; Fujihara, Takashi; Nagasawa, Akira; Kaizaki, Sumio <i>fac</i>-Triaqua[tris(2-pyridyl)amine-κ^3^<i>N</i>]chromium(III) tris(trifluoromethanesulfonate) Acta Crystallographica Section E 60(6) (2004) m854-m856
Space group: P -3
Cell volume: 1546.45
Cell parameters: 13.0562; 13.0562; 10.4754; 90; 90; 120;  

COD ID: 2208363
CIF file

HKL data

Original IUCr paper

Formula: - C24 H54.34 B2 F8 N6 Ni O6.17 -
Comments: Suzuki, Honoh; Ishiguro, Shin-ichi Hexakis(<i>N</i>,<i>N</i>-dimethylacetamide)nickel(II) bis(tetrafluoroborate) 0.17-hydrate Acta Crystallographica Section E 62(3) (2006) m505-m507
Space group: P -3
Cell volume: 926.2
Cell parameters: 12.334; 12.334; 7.03; 90; 90; 120;  

COD ID: 2208804
CIF file

HKL data

Original IUCr paper

Formula: - C18 H13.5 B0.5 F2 Fe N3 O6 -
Comments: Onggo, Djulia; Martak, Fatimah; Ismunandar; Yamin, Bohari M.; Ng, Seik Weng Hemi{tris(picolinic acid-κ^2^<i>N</i>,<i>O</i>)iron(II)/tris(picolinato-κ^2^<i>N</i>,<i>O</i>)iron(II)} hemi(tetrafluoroborate) Acta Crystallographica Section E 62(5) (2006) m1112-m1113
Space group: P -3
Cell volume: 957.7
Cell parameters: 13.564; 13.564; 6.0108; 90; 90; 120;  

COD ID: 2215413
CIF file

HKL data

Original IUCr paper

Formula: - C27 H61.2 Cu I N6 O0.6 S3 -
Comments: Islam Ullah Khan; Muhammad Mufakkar; Saeed Ahmad; Hoong-Kun Fun; Suchada Chantrapromma Tris(<i>N</i>,<i>N</i>'-dibutylthiourea-<i>{κ</i>S})iodidocopper(I) 0.6-hydrate Acta Crystallographica Section E 63(10) (2007) m2550-m2551
Space group: P -3
Cell volume: 1822.38
Cell parameters: 13.5514; 13.5514; 11.4588; 90; 90; 120;  

COD ID: 2217419
CIF file

HKL data

Original IUCr paper

Formula: - C27 H42.33 N6 Nd O20 -
Comments: Derikvand, Zohreh; Aghabozorg, Hossein; Nemati, Andya; Ghadermazi, Mohammad; Attar Gharamaleki, Jafar Tris(piperazinediium) bis[tris(pyridine-2,6-dicarboxylato)neodymate(III)] 15.33-hydrate Acta Crystallographica Section E 64(2) (2008) m350-m351
Space group: P -3
Cell volume: 5688.7
Cell parameters: 25.5045; 25.5045; 10.0984; 90; 90; 120;  

COD ID: 2223448
CIF file

HKL data

Original IUCr paper

Formula: - C27 H26 Br N O3 -
Comments: Gunasekaran, B.; Kathiravan, S.; Raghunathan, R.; Chakkaravarthi, G.; Manivannan, V. Methyl 9-(4-bromophenyl)-8a,9,9a,10,11,12,13,14a-octahydro-8<i>H</i>-benzo[<i>f</i>]chromeno[3,4-<i>b</i>]indolizine-8a-carboxylate Acta Crystallographica Section E 65(10) (2009) o2550
Space group: P -3
Cell volume: 3381.6
Cell parameters: 18.4405; 18.4405; 11.4828; 90; 90; 120;  

COD ID: 2225244
CIF file

HKL data

Original IUCr paper

Formula: - C15 H3 F18 Mo O6 -
Comments: Champouret, Yohan; Poli, Rinaldo; Daran, Jean-Claude Tris(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')molybdenum(III) Acta Crystallographica Section E 66(3) (2010) m299-m300
Space group: P -3
Cell volume: 3404.6
Cell parameters: 18.4876; 18.4876; 11.5021; 90; 90; 120;  

COD ID: 2227630
CIF file

HKL data

Original IUCr paper

Formula: - C7 H9 Mg N O5 -
Comments: Yeh, Chun-Ting; Liu, Hsin-Kuan; Lin, Chia-Jing; Lin, Chia-Her Poly[(μ~6~-benzene-1,3,5-tricarboxylato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^)tris(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)tris(μ~3~-formato-κ^2^<i>O</i>:<i>O</i>')trimagnesium(II)] Acta Crystallographica Section E 66(10) (2010) m1289
Space group: P -3
Cell volume: 1372.96
Cell parameters: 13.9739; 13.9739; 8.1188; 90; 90; 120;  

COD ID: 2228504
CIF file

HKL data

Original IUCr paper

Formula: - C42 H36 N6 O30 Zn3 -
Comments: Gharagozlou, Mehrnaz; Langer, Vratislav; Nemati, Andya Hexaaquazinc(II) bis[tris(3-carboxypyridine-2-carboxylato)zincate(II)] Acta Crystallographica Section E 66(12) (2010) m1606-m1607
Space group: P -3
Cell volume: 1139.5
Cell parameters: 14.47; 14.47; 6.284; 90; 90; 120;  

COD ID: 2235708
CIF file

HKL data

Original IUCr paper

Formula: - C12 H78 Cl Co5 N18 O36 -
Comments: Tian, Ruijng; Yan, Yan; Zhang, Cailing; Wang, Liyan; Pan, Qinhe Tris[hexaamminecobalt(III)] bis[trioxalatocobaltate(II)] chloride dodecahydrate Acta Crystallographica Section E 68(7) (2012) m914-m915
Space group: P -3
Cell volume: 1280.15
Cell parameters: 12.2138; 12.2138; 9.909; 90; 90; 120;  

COD ID: 2235825
CIF file

HKL data

Original IUCr paper

Formula: - C43.3 H36 N9.9 O26.1 Zn2.35 -
Comments: Tabatabaee, Masoumeh; Derikvand, Zohreh; Attar Gharamaleki, Jafar Guanidinium hexaaquazinc(II) bis[tris(3-carboxypyridine-2-carboxylato)zincate] Acta Crystallographica Section E 68(8) (2012) m1035
Space group: P -3
Cell volume: 1168.7
Cell parameters: 14.5775; 14.5775; 6.3506; 90; 90; 120;  

COD ID: 2238712
CIF file

Original IUCr paper

Formula: - C21 H27 N3 O15 Zn3 -
Comments: Sim, Jaeung; Kim, Taemin; Yang, Jin Kuk Poly[(μ~6~-benzene-1,3,5-tricarboxylato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^)tris(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)tris(μ~3~-formato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>')trizinc(II)] Acta Crystallographica Section E 69(11) (2013) m619
Space group: P -3
Cell volume: 1332.5
Cell parameters: 13.8594; 13.8594; 8.01; 90; 90; 120;  

COD ID: 2239992
CIF file

HKL data

Original IUCr paper

Formula: - C12 H27 I K N3 O3 -
Comments: Comanescu, Cezar-Catalin; Oliver, Allen G. Crystal structure of <i>catena</i>-poly[[potassium-tri-μ-dimethylacetamide-κ^6^<i>O</i>:<i>O</i>] iodide] Acta Crystallographica Section E 70(10) (2014) 196-198
Space group: P -3
Cell volume: 912.62
Cell parameters: 11.9776; 11.9776; 7.3455; 90; 90; 120;  

COD ID: 2240231
CIF file

HKL data

Original IUCr paper

Formula: - C12 H24 I Li O3 -
Comments: Gärtner, Stefanie; Gärtner, Tobias; Gschwind, Ruth-Maria; Korber, Nikolaus About the polymorphism of [Li(C~4~H~8~O)~3~]I: crystal structures of trigonal and tetragonal polymorphs Acta Crystallographica Section E 70(12) (2014) 555-558
Space group: P -3
Cell volume: 767
Cell parameters: 10.253; 10.253; 8.425; 90; 90; 120;  

COD ID: 2241548
CIF file

HKL data

Original IUCr paper

Formula: - C168 H141 Ag3 N O6 P9 -
Comments: Noll, Julian; Korb, Marcus; Lang, Heinrich Crystal structure of bis[tetrakis(triphenylphosphane-κ<i>P</i>)silver(I)] (nitrilotriacetato-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'')(triphenylphosphane-κ<i>P</i>)argentate(I) with an unknown amount of methanol as solvate Acta Crystallographica Section E 72(3) (2016) 318-321
Space group: P -3
Cell volume: 10010
Cell parameters: 19.0095; 19.0095; 31.9862; 90; 90; 120;  

COD ID: 2310068
CIF file Formula: - Ag1.5 Zn1.5 -
Comments: Qurashi, M.M.; Edmunds, I.G. The structure of the zeta phase in the silver-zinc system Acta Crystallographica (1,1948-23,1967) 4 (1951) 417-427
Space group: P -3
Cell volume: 142.385
Cell parameters: 7.636; 7.636; 2.8197; 90; 90; 120;  

COD ID: 2310811
CIF file Formula: - O8 U3 -
Comments: Siegel, S. The crystal structure of trigonal U3 O8 Acta Crystallographica (1,1948-23,1967) 8 (1955) 617-619
Space group: P -3
Cell volume: 166.358
Cell parameters: 6.815; 6.815; 4.136; 90; 90; 120;  

COD ID: 2311717
CIF file

Original IUCr paper

Formula: - Cu3.311 Si -
Comments: Corrêa, Cinthia Antunes; Perez, Olivier; Kopeček, Jaromír; Brázda, Petr; Klementová, Mariana; Palatinus, Lukáš Crystal structures of η''-Cu<sub>3+x</sub>Si and η'''-Cu<sub>3+x</sub>Si. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 4) (2017) 767-774
Space group: P -3
Cell volume: 123871
Cell parameters: 56.98; 56.98; 44.055; 90; 90; 120;  

COD ID: 3000325

CIF file is on hold until 2022-05-10

Formula: - C29 H28 Fe0.667 O8 P4 -
Comments: Matous Kloda; Jan Hynek; Petr Brazda; Tomas Plechacek; Petr Chalupsky; Jan Rohlicek; Jan Demel Phosphinate MOF formed from tetratopic ligands as high proton conductivity materials To be published in Journal of Materials Chemistry A ()
Space group: P -3
Cell volume: 4877.11
Cell parameters: 24.3521; 24.3521; 9.4964; 90; 90; 120;  

COD ID: 3000326

CIF file is on hold until 2022-05-10

Formula: - C38 H40 Fe0.667 O8 P4 -
Comments: Matous Kloda; Jan Hynek; Petr Brazda; Tomas Plechacek; Petr Chalupsky; Jan Rohlicek; Jan Demel Phosphinate MOF formed from tetratopic ligands as high proton conductivity materials To be published in Journal of Materials Chemistry A ()
Space group: P -3
Cell volume: 6073.85
Cell parameters: 27.8429; 27.8429; 9.047; 90; 90; 120;  

COD ID: 4002544
CIF file Formula: - C60 H17.16 N5.72 Na2 -
Comments: Claridge, J.B.; Fowkes, A.J.; Rosseinsky, M.J.; Watts, I.D. Cation-site and anion charge ordering in body-centered cubic-packedfullerides with complex counterions Chemistry of Materials (1,1989-) 15 (2003) 1497-1504
Space group: P -3
Cell volume: 2698.6
Cell parameters: 17.227; 17.227; 10.5; 90; 90; 120;  

COD ID: 4002748
CIF file Formula: - C19 H12 N4 Ni O6 -
Comments: Jeong, Seok; Kim, Dongwook; Park, Jeongin; Shin, Sunyoung; Kim, Hyehyun; Jeong, Gyoung Hwa; Moon, Dohyun; Moon, Hoi Ri; Lah, Myoung Soo Topology Conversions of Non-Interpenetrated Metal‒Organic Frameworks to Doubly Interpenetrated Metal‒Organic Frameworks Chemistry of Materials 29(9) (2017) 3899
Space group: P -3
Cell volume: 3165.3
Cell parameters: 16.657; 16.657; 13.173; 90; 90; 120;  

COD ID: 4002869
CIF file Formula: - Ag11.86 Se7 Tl2 -
Comments: Shi, Yixuan; Assoud, Abdeljalil; Sankar, Cheriyedath Raj; Kleinke, Holger Tl2Ag12Se7: A New pnp Conduction Switching Material with Extraordinarily Low Thermal Conductivity Chemistry of Materials 29(21) (2017) 9565
Space group: P -3
Cell volume: 1356.6
Cell parameters: 18.9153; 18.9153; 4.3783; 90; 90; 120;  

COD ID: 4023257
CIF file Formula: - C24 H48 N12 O6 -
Comments: Philippe Le Grel; Arnaud Salaün; Clémence Mocquet; Barbara Le Grel; Thierry Roisnel; Michel Potel Postsynthetic Modification of C~3~-Symmetric Aza-β^3^-Cyclohexapeptides Journal of Organic Chemistry 73 (2008) 1306-1310
Space group: P -3
Cell volume: 1829
Cell parameters: 13.6249; 13.6249; 11.3765; 90; 90; 120;  

COD ID: 4024182
CIF file Formula: - C80 H100.17 F12 N2 O17.08 P2 -
Comments: Tao Han; Chuan-Feng Chen Selective Templated Complexation of a Cylindrical Macrotricyclic Host with Neutral Guests: Three Cation-Controlled Switchable Processes Journal of Organic Chemistry 72 (2007) 7287-7293
Space group: P -3
Cell volume: 13224
Cell parameters: 29.938; 29.938; 17.0369; 90; 90; 120;  

COD ID: 4026930
CIF file Formula: - C71 H57 Br3 N6 O6 -
Comments: Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis Journal of Organic Chemistry 77 (2012) 1435-1448
Space group: P -3
Cell volume: 3106.9
Cell parameters: 18.0254; 18.0254; 11.0413; 90; 90; 120;  

COD ID: 4026932
CIF file Formula: - C71 H57 Cl3 N6 O6 -
Comments: Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis Journal of Organic Chemistry 77 (2012) 1435-1448
Space group: P -3
Cell volume: 3038.1
Cell parameters: 17.9406; 17.9406; 10.8992; 90; 90; 120;  

COD ID: 4026933
CIF file Formula: - C74 H66 N6 O6 -
Comments: Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis Journal of Organic Chemistry 77 (2012) 1435-1448
Space group: P -3
Cell volume: 3064.5
Cell parameters: 17.9054; 17.9054; 11.0374; 90; 90; 120;  

COD ID: 4026934
CIF file Formula: - C70.5 H57 Cl3 N6 O6 -
Comments: Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis Journal of Organic Chemistry 77 (2012) 1435-1448
Space group: P -3
Cell volume: 2976.12
Cell parameters: 17.6734; 17.6734; 11.0022; 90; 90; 120;  

COD ID: 4026981
CIF file Formula: - C45 H39 I3 N5 O9 -
Comments: Ashutosh S. Singh; Shih-Sheng Sun Recognition, Encapsulation, and Selective Fluorescence Sensing of Nitrate Anion by Neutral C3-Symmetric Tripodal Podands Bearing Amide Functionality Journal of Organic Chemistry 77 (2012) 1880-1890
Space group: P -3
Cell volume: 2369.6
Cell parameters: 15.4491; 15.4491; 11.464; 90; 90; 120;  

COD ID: 4026982
CIF file Formula: - C45 H39 Cl3 N5 O9 -
Comments: Ashutosh S. Singh; Shih-Sheng Sun Recognition, Encapsulation, and Selective Fluorescence Sensing of Nitrate Anion by Neutral C3-Symmetric Tripodal Podands Bearing Amide Functionality Journal of Organic Chemistry 77 (2012) 1880-1890
Space group: P -3
Cell volume: 2361.4
Cell parameters: 15.421; 15.421; 11.4661; 90; 90; 120;  

COD ID: 4026983
CIF file Formula: - C92 H78 Br6 Cl1.98 N10 O18 -
Comments: Ashutosh S. Singh; Shih-Sheng Sun Recognition, Encapsulation, and Selective Fluorescence Sensing of Nitrate Anion by Neutral C3-Symmetric Tripodal Podands Bearing Amide Functionality Journal of Organic Chemistry 77 (2012) 1880-1890
Space group: P -3
Cell volume: 2315.52
Cell parameters: 15.3378; 15.3378; 11.3656; 90; 90; 120;  

COD ID: 4027732
CIF file Formula: - C22 H24 Cl N3 O4 -
Comments: Suman K Roy; Subhas Samanta; Mominul Sinan; Pradip Ghosh; Sreebrata Goswami Aerial Oxidation of Protonated Aromatic Amines. Isolation, X-ray Structure, and Redox and Spectral Characteristics of N- Containing Dyes Journal of Organic Chemistry 77 (2012) 10249-10259
Space group: P -3
Cell volume: 1075
Cell parameters: 12.885; 12.885; 7.477; 90; 90; 120;  

COD ID: 4027916
CIF file Formula: - C30 H30 O4.5 -
Comments: Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes Journal of Organic Chemistry 78 (2013) 1062-1069
Space group: P -3
Cell volume: 1236.8
Cell parameters: 11.9712; 11.9712; 9.9653; 90; 90; 120;  

COD ID: 4027917
CIF file Formula: - C H O -
Comments: Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes Journal of Organic Chemistry 78 (2013) 1062-1069
Space group: P -3
Cell volume: 1239.26
Cell parameters: 12.0399; 12.0399; 9.8716; 90; 90; 120;  

COD ID: 4027918
CIF file Formula: - C20 H20 O2.67 -
Comments: Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes Journal of Organic Chemistry 78 (2013) 1062-1069
Space group: P -3
Cell volume: 1224.32
Cell parameters: 11.9; 11.9; 9.9832; 90; 90; 120;  

COD ID: 4030181
CIF file Formula: - Cs O8 P2 Sb -
Comments: Oyetola, S.; Verbaere, A.; Piffard, Y.; Tournoux, M. The layered compounds AM(V)(PO4)2 (A = K, Rb, Cs and M = Sb, Nb, Ta) European Journal of Solid State and Inorganic Chemistry 25 (1988) 259-278
Space group: P -3
Cell volume: 185.98
Cell parameters: 4.8246; 4.8246; 9.226; 90; 90; 120;  

COD ID: 4030842
CIF file Formula: - Cu1.5 Na S2 V0.5 -
Comments: Mujica, C.; Llanos, J.; Carvajal, G.; Wittke, O. Synthesis and crystal structure of Na2Cu3VS4 European Journal of Solid State and Inorganic Chemistry 33 (1996) 987-992
Space group: P -3
Cell volume: 88.12
Cell parameters: 3.862; 3.862; 6.822; 90; 90; 120;  

COD ID: 4030912
CIF file Formula: - C12 H66 Fe8 N6 O62 P14 -
Comments: Korzenski, M. B.; Schimek, G. L.; Kolis, J. W. Hydrothermal synthesis and structural determination of a three-dimensional microporous iron(III)phosphate [H~3~N(CH~2~)~4~NH~3~]~3~[Fe~8~(HPO~4~)~12~(PO~4~)~2~(H~2~O)~6~] European Journal of Solid State and Inorganic Chemistry 35(2) (1998) 143-160
Space group: P -3
Cell volume: 1481.9
Cell parameters: 13.495; 13.495; 9.396; 90; 90; 120;  

COD ID: 4031160
CIF file Formula: - Bi2.34 La0.33 O5 U0.33 -
Comments: Amarilla, J.M.; Alonso, J.A.; Rojas, R.M. Structural study of the trigonal Bi2.34 U0.33 La0.33 O5 oxide ion conductor: Rietveld refinement of X-ray and neutron powder diffraction data Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1999 (1999) 1137-1141
Space group: P -3
Cell volume: 133.146
Cell parameters: 4.01395; 4.01395; 9.5423; 90; 90; 120;  

COD ID: 4031231
CIF file Formula: - C6 H6 Br8 Fe3 N6 -
Comments: Constant, G.; Daran, J.C.; Jeannin, Y.P. Etude structurale du tetrabromoferrate(III) d'hexaformonitrilefer(II) Journal of Inorganic and Nuclear Chemistry 35 (1973) 4093-4102
Space group: P -3
Cell volume: 637.128
Cell parameters: 10.59; 10.59; 6.56; 90; 90; 120;  

COD ID: 4031319
CIF file Formula: - C22 H24 N2 O4.4 -
Comments: Xuan, Zi; Kim, Ju Hyun; Lee, Sang-Gi Tandem Blaise/Palladium-Catalyzed Ullmann Coupling for the One-Pot Synthesis of Enamino Ester-Functionalized Biaryls from Nitriles. The Journal of organic chemistry 80(15) (2015) 7824-7829
Space group: P -3
Cell volume: 3274.58
Cell parameters: 15.8651; 15.8651; 15.0224; 90; 90; 120;  

COD ID: 4031634
CIF file Formula: - Cr Cs3 N6 O18 -
Comments: Fedorova, A.A.; Chizhov, P.S.; Morozov, I.V.; Troyanov, S.I. Synthesis and Crystal Structures of New Iron(III) and Chromium(III) Nitrate Complexes Cs[Fe(NO3)4], Cs2[Cr(NO3)5], and Cs3[Cr(NO3)6] Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii) 47 (2002) 1845-1852
Space group: P -3
Cell volume: 2524.34
Cell parameters: 14.604; 14.604; 13.667; 90; 90; 120;  

COD ID: 4033232
CIF file Formula: - C27 H21 B S2 -
Comments: Messersmith, Reid E.; Yadav, Sangeeta; Siegler, Maxime A.; Ottosson, Henrik; Tovar, John D. Benzo[b]thiophene Fusion Enhances Local Borepin Aromaticity in Polycyclic Heteroaromatic Compounds. The Journal of organic chemistry 82(24) (2017) 13440-13448
Space group: P -3
Cell volume: 3194.42
Cell parameters: 22.1776; 22.1776; 7.4995; 90; 90; 120;  

COD ID: 4033655
CIF file Formula: - C77 H41 Cl15 F12 -
Comments: Van Raden, Jeff M.; Leonhardt, Erik J.; Zakharov, Lev N.; Pérez-Guardiola, A; Pérez-Jiménez, A J; Marshall, Checkers R.; Brozek, Carl K.; Sancho-García, J C; Jasti, Ramesh Precision Nanotube Mimics via Self-Assembly of Programmed Carbon Nanohoops. The Journal of organic chemistry (2019)
Space group: P -3
Cell volume: 4625.8
Cell parameters: 19.8149; 19.8149; 13.6041; 90; 90; 120;  

COD ID: 4034235
CIF file Formula: - C57 H57 F18 N8 P3 -
Comments: Aletti, Anna B.; Miljkovic, Ana; Toma, Lucio; Bruno, Rosaria; Armentano, Donatella; Gunnlaugsson, Thorfinnur; Bergamaschi, Greta; Amendola, Valeria Halide-Controlled Extending-Shrinking Motion of a Covalent Cage. The Journal of organic chemistry 84(7) (2019) 4221-4228
Space group: P -3
Cell volume: 3101.9
Cell parameters: 14.3935; 14.3935; 17.2887; 90; 90; 120;  

COD ID: 4034236
CIF file Formula: - C57 H57 F18 N8 P3 -
Comments: Aletti, Anna B.; Miljkovic, Ana; Toma, Lucio; Bruno, Rosaria; Armentano, Donatella; Gunnlaugsson, Thorfinnur; Bergamaschi, Greta; Amendola, Valeria Halide-Controlled Extending-Shrinking Motion of a Covalent Cage. The Journal of organic chemistry 84(7) (2019) 4221-4228
Space group: P -3
Cell volume: 3272.9
Cell parameters: 14.654; 14.654; 17.5993; 90; 90; 120;  

COD ID: 4036590
CIF file Formula: - C174 H252 B18 N18 O3 -
Comments: Wakabayashi, Shigeharu; Hori, Yuka; Komeda, Seiji; Shimizu, Yuki; Ohki, Yasuhiro; Horiuchi, Misaki; Itoh, Takahito; Sugihara, Yoshikazu; Tatsumi, Kazuyuki Self-Assembly of 4-(Diethylboryl)pyridine: Crystal Structures of the Cyclic Pentamer and Hexamer and Their Solvent-Dependent Selective Crystallization. The Journal of organic chemistry 81(6) (2016) 2399-2404
Space group: P -3
Cell volume: 4553.1
Cell parameters: 17.377; 17.377; 17.411; 90; 90; 120;  

COD ID: 4060681
CIF file Formula: - C114 H102 Ir6 Mo6 O24 -
Comments: Nigel T. Lucas; Eleni G. A. Notaras; Marie P. Cifuentes; Mark G. Humphrey Mixed-Metal Cluster Chemistry. 21. Synthesis and Crystallographic and Electrochemical Studies of Alkyne-Coordinated Group 6-Iridium Clusters Linked by Phenylenevinylene Groups Organometallics 22 (2003) 284-301
Space group: P -3
Cell volume: 19815.6
Cell parameters: 26.2521; 26.2521; 33.2008; 90; 90; 120;  

COD ID: 4061625
CIF file Formula: - C22 H32 B N6 O0.5 Ru S3 -
Comments: Seah Ling Kuan, Weng Kee Leong; Lai Yoong Goh, Richard D. Webster Redox Dependent Isomerization of Organometallic RuII/RuIII Compounds Containing the Hydrotris(Methimazolyl)Borate Ligand. An Electrochemical Square Scheme Mechanism. Organometallics (2005)
Space group: P -3
Cell volume: 1905.29
Cell parameters: 14.7149; 14.7149; 10.1605; 90; 90; 120;  

COD ID: 4063825
CIF file Formula: - C29 H36 Cl Cr N2 O -
Comments: Zhou, Wen; Tang, Liming; Patrick, Brian O.; Smith, Kevin M. Electronic Effects in the Oxidative Addition of Iodomethane with Mixed-Aryl β-Diketiminate Chromium Complexes Organometallics 30(3) (2011) 603
Space group: P -3
Cell volume: 4291.1
Cell parameters: 20.603; 20.603; 11.6729; 90; 90; 120;  

COD ID: 4064533
CIF file Formula: - C12 H10 B Mn N6 O3 -
Comments: Swennenhuis, Bert H. G.; Poland, Ross; DeYonker, Nathan J.; Webster, Charles Edwin; Darensbourg, Donald J.; Bengali, Ashfaq A. Ligand Displacement from TpMn(CO)2L Complexes: A Large Rate Enhancement in Comparison to the CpMn(CO)2L Analogues Organometallics 30(11) (2011) 3054
Space group: P -3
Cell volume: 880.62
Cell parameters: 11.3823; 11.3823; 7.8487; 90; 90; 120;  

COD ID: 4065764
CIF file Formula: - C25 H35 Mo2 O2 P Se3 -
Comments: Esther García, M.; García-Vivó, Daniel; Ruiz, Miguel A. Chemistry of Unsaturated Group 6 Metal Complexes with Bridging Hydroxy and Methoxycarbyne Ligands. 6. C−E Bond Formation and C−O Bond Cleavage Processes in the Reactions of [Mo2(η5-C5H5)2(μ-COMe)(μ-PCy2)(μ-CO)] with Severalp-Block Elements (E) and Their Hydride Derivatives Organometallics 29(9) (2010) 2157
Space group: P -3
Cell volume: 4342.3
Cell parameters: 23.367; 23.367; 9.183; 90; 90; 120;  

COD ID: 4069777
CIF file Formula: - C56 H80 N4 Zn2 -
Comments: Liu, Yanyan; Li, Shaoguang; Yang, Xiao-Juan; Yang, Peiju; Gao, Jing; Xia, Yana; Wu, Biao Synthesis and Structure of a Zinc−Zinc-Bonded Compound with a Monoanionic α-Diimine Ligand, [LZn−ZnL] (L = [(2,6-iPr2C6H3)NC(Me)]2−) Organometallics 28(17) (2009) 5270
Space group: P -3
Cell volume: 9225
Cell parameters: 28.299; 28.299; 13.302; 90; 90; 120;  

COD ID: 4069809
CIF file Formula: - C58.67 H68 Cl9.33 O3 P2 Pd2 -
Comments: Ding, Yi; Chiang, Minyi; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing Synthesis, Coordination Characteristics, Conformational Behavior, and Bond Reactivity Studies of a Novel Chiral Phosphapalladacycle Complex Organometallics 28(15) (2009) 4358
Space group: P -3
Cell volume: 5579.6
Cell parameters: 25.8527; 25.8527; 9.6397; 90; 90; 120;  

COD ID: 4071007
CIF file Formula: - C25 H35 Mo2 O2 P Se3 -
Comments: García-Vivó, Daniel; García, M. Esther; Ruiz, Miguel A. Multisite Reactivity of the Unsaturated Methoxycarbyne Complex [Mo2(η5-C5H5)2(µ-COMe)(µ-PCy2)(µ-CO)] Organometallics 27(2) (2008) 169
Space group: P -3
Cell volume: 4342.3
Cell parameters: 23.367; 23.367; 9.183; 90; 90; 120;  

COD ID: 4074130
CIF file Formula: - C38.33 H35.33 N0.22 O Zr -
Comments: Chen, Liyi; Nie, Wan-Li; Paradies, Jan; Kehr, Gerald; Fröhlich, Roland; Wedeking, Katrin; Erker, Gerhard Insertion Reactions at Cyclobutylene-Bridgedansa-Metallocene Complexes: A Quest for the Influence of Covering Phenylene Units Organometallics 25(22) (2006) 5333
Space group: P -3
Cell volume: 4457.5
Cell parameters: 18.133; 18.133; 15.654; 90; 90; 120;  

COD ID: 4074191
CIF file Formula: - C45.08 H27.08 Ag Cl11.75 N P Pt -
Comments: Forniés, Juan; Ibáñez, Susana; Martín, Antonio; Sanz, Manuel; Berenguer, Jesús R.; Lalinde, Elena; Torroba, Javier Influence of the Pt→Ag Donor−Acceptor Bond and Polymorphism on the Spectroscopic and Optical Properties of Heteropolynuclear Benzoquinolateplatinum(II) Complexes Organometallics 25(18) (2006) 4331
Space group: P -3
Cell volume: 7113
Cell parameters: 25.041; 25.041; 13.099; 90; 90; 120;  

COD ID: 4077281
CIF file Formula: - C26 H42 Cl2 Li O2 Yb -
Comments: Zi, Guofu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei Tetramethylcyclopentadienyl vs Cyclopentadienyl Substituents. Synthesis and Structural Characterization of Organolanthanide Compounds Derived from the Versatile Ligand Me2Si(C5Me4H)(C2B10H11) Organometallics 20(11) (2001) 2359
Space group: P -3
Cell volume: 10086
Cell parameters: 29.95; 29.95; 12.983; 90; 90; 120;  

COD ID: 4078499
CIF file Formula: - C43 H40 Cl3 O2 P4 Rh3 -
Comments: Nakajima, Takayuki; Kurai, Sachi; Noda, Sayo; Zouda, Maki; Kure, Bunsho; Tanase, Tomoaki Cyclic Trinuclear Rh2M Complexes (M = Rh, Pt, Pd, Ni) Supported bymeso-1,3-Bis[(diphenylphosphinomethyl)phenylphosphino]propane Organometallics 31(11) (2012) 4283
Space group: P -3
Cell volume: 6947
Cell parameters: 28.966; 28.966; 9.561; 90; 90; 120;  

COD ID: 4080971
CIF file Formula: - C28 H28 Fe2 N2 O6 Se2 -
Comments: Song, Li-Cheng; Gai, Bin; Feng, Zhan-Heng; Du, Zong-Qiang; Xie, Zhao-Jun; Sun, Xiao-Jing; Song, Hai-Bin Synthesis, Structures, and Some Properties of Diiron Oxadiselenolate (ODSe) and Thiodiselenolate (TDSe) Complexes as Models for the Active Site of [FeFe]-Hydrogenases Organometallics 32(13) (2013) 3673
Space group: P -3
Cell volume: 4626.2
Cell parameters: 24.751; 24.751; 8.7198; 90; 90; 120;  

COD ID: 4081508
CIF file Formula: - C30 H28 Fe3 Si -
Comments: Herrero, Marta; Sevilla, Raquel; Casado, Carmen M.; Losada, José; Garc?ía-Armada, Pilar; Rodr?íguez-Diéguez, Antonio; Briones, David; Alonso, Beatriz Synthesis and Electrochemistry of ((Diferrocenylsilyl)propyl)- and ((Triferrocenylsilyl)propyl)triethoxysilanes Organometallics 32(20) (2013) 5826
Space group: P -3
Cell volume: 1323.9
Cell parameters: 16.066; 16.066; 5.9225; 90; 90; 120;  

COD ID: 4081569
CIF file Formula: - C56 H57 B6 F27 Mo6 N16 O12 -
Comments: Cai, Xu-Min; Höhne, Dominik; Köberl, Mathias; Cokoja, Mirza; Pöthig, Alexander; Herdtweck, Eberhardt; Haslinger, Stefan; Herrmann, Wolfgang A.; Kühn, Fritz E. Synthesis and Characterization of Dimolybdenum(II) Complexes Connected by Carboxylate Linkers Organometallics 32(20) (2013) 6004
Space group: P -3
Cell volume: 5039.6
Cell parameters: 20.6355; 20.6355; 13.6658; 90; 90; 120;  

COD ID: 4081942
CIF file Formula: - C39.25 H21.25 Cl0.75 F15 Ge2 -
Comments: Zaitsev, Kirill V.; Kapranov, Andrey A.; Churakov, Andrei V.; Poleshchuk, Oleg Kh.; Oprunenko, Yuri F.; Tarasevich, Boris N.; Zaitseva, Galina S.; Karlov, Sergey S. “Donor‒Acceptor” Oligogermanes: Synthesis, Structure, and Electronic Properties Organometallics 32(21) (2013) 6500
Space group: P -3
Cell volume: 1956.6
Cell parameters: 16.5688; 16.5688; 8.23; 90; 90; 120;  

COD ID: 4081969
CIF file Formula: - C28 H37 B N2 O2 -
Comments: Xie, Liang; Zhang, Jianying; Hu, Hongfan; Cui, Chunming Synthesis and Reactions of π-Conjugated Iminoboranes Stabilized by Intramolecular Imine Groups Organometallics 32(23) (2013) 6875
Space group: P -3
Cell volume: 4525.8
Cell parameters: 24.4; 24.4; 8.7778; 90; 90; 120;  

COD ID: 4084576
CIF file Formula: - C54.5 H43 Cl F P3 Sn -
Comments: Kameo, Hajime; Kawamoto, Tatsuya; Sakaki, Shigeyoshi; Nakazawa, Hiroshi Can One σ*-Antibonding Orbital Interact with Six Electrons of Lewis Bases? Analysis of a Multiply Interacting σ* Orbital Organometallics 33(21) (2014) 5960
Space group: P -3
Cell volume: 2398.33
Cell parameters: 13.0779; 13.0779; 16.1921; 90; 90; 120;  

COD ID: 4084869
CIF file Formula: - C72 H62 P4 Ru -
Comments: Samouei, Hamidreza; Miloserdov, Fedor M.; Escudero-Adán, Eduardo C.; Grushin, Vladimir V. Solid-State Structure and Solution Reactivity of [(Ph3P)4Ru(H)2] and Related Ru(II) Complexes Used in Catalysis: A Reinvestigation Organometallics 33(24) (2014) 7279
Space group: P -3
Cell volume: 8246
Cell parameters: 19.028; 19.028; 26.297; 90; 90; 120;  

COD ID: 4085025
CIF file Formula: - C16 H20 Zr -
Comments: Hu, Yimu; Romero, Nuria; Dinoi, Chiara; Vendier, Laure; Mallet-Ladeira, Sonia; McGrady, John E.; Locati, Abel; Maseras, Feliu; Etienne, Michel β-H Abstraction/1,3-CH Bond Addition as a Mechanism for the Activation of CH Bonds at Early Transition Metal Centers Organometallics 33(24) (2014) 7270
Space group: P -3
Cell volume: 6251.7
Cell parameters: 23.4826; 23.4826; 13.0911; 90; 90; 120;  

COD ID: 4085747
CIF file Formula: - C23 H29 Co I N P2 -
Comments: Zhou, Hongwei; Sun, Hongjian; Zhang, Shumiao; Li, Xiaoyan Synthesis and Reactivity of a Hydrido CNC Pincer Cobalt(III) Complex and Its Application in Hydrosilylation of Aldehydes and Ketones Organometallics 34(8) (2015) 1479
Space group: P -3
Cell volume: 3883.6
Cell parameters: 22.537; 22.537; 8.829; 90; 90; 120;  

COD ID: 4085929
CIF file Formula: - C15 H23 Fe0.33 O -
Comments: Bellow, James A.; Yousif, Maryam; Cabelof, Alyssa C.; Lord, Richard L.; Groysman, Stanislav Reactivity Modes of an Iron Bis(alkoxide) Complex with Aryl Azides: Catalytic Nitrene Coupling vs Formation of Iron(III) Imido Dimers Organometallics 34(12) (2015) 2917
Space group: P -3
Cell volume: 1956.4
Cell parameters: 12.2741; 12.2741; 14.995; 90; 90; 120;  

COD ID: 4086584
CIF file Formula: - C76 H100 Cl4 Ir P4 -
Comments: Miura-Akagi, Preston M.; Nakashige, Mika L.; Maile, Caitlin K.; Oshiro, Shelly M.; Gurr, Joshua R.; Yoshida, Wesley Y.; Royappa, A. Timothy; Krause, Colleen E.; Rheingold, Arnold L.; Hughes, Russell P.; Cain, Matthew F. Synthesis of a Tris(phosphaalkene)phosphine Ligand and Fundamental Organometallic Reactions on Its Sterically Shielded Metal Complexes Organometallics 35(13) (2016) 2224
Space group: P -3
Cell volume: 4255.6
Cell parameters: 18.6016; 18.6016; 14.2012; 90; 90; 120;  

COD ID: 4086987
CIF file Formula: - C104 H74 Ag6 F18 O9 P6 S3 -
Comments: Chen, Yi-Ting; Krytchankou, Ilya S.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Chou, Pi-Tai; Koshevoy, Igor O. Silver Alkynyl-Phosphine Clusters: An Electronic Effect of the Alkynes Defines Structural Diversity Organometallics 36(2) (2017) 480
Space group: P -3
Cell volume: 6441.9
Cell parameters: 18.4199; 18.4199; 21.9233; 90; 90; 120;  

COD ID: 4100480
CIF file Formula: - C83 H128 Cl2 N4 O17.33 Zn -
Comments: Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E. Journal of the American Chemical Society (2005)
Space group: P -3
Cell volume: 14780.4
Cell parameters: 26.815; 26.815; 23.7356; 90; 90; 120;  

COD ID: 4100893
CIF file Formula: - C24 H60 B12 O12 -
Comments: Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12 Journal of the American Chemical Society (2005)
Space group: P -3
Cell volume: 2820.9
Cell parameters: 16.8079; 16.8079; 11.5301; 90; 90; 120;  

COD ID: 4101022
CIF file Formula: - C90 H90 Ag2 B2 Cu3 F8 N9 P6 S6 -
Comments: Lorenzo Barbieri; Claudia Graiff; Lisa Elviri; Maurizio Lanfranchi; Roberto Pattacini; Alessandro Stercoli; Antonio Tiripicchio Journal of the American Chemical Society (2006)
Space group: P -3
Cell volume: 4914
Cell parameters: 17.955; 17.955; 17.601; 90; 90; 120;  

COD ID: 4101035
CIF file Formula: - C51 H84 N4 Na Nb O3 -
Comments: Journal of the American Chemical Society (2006)
Space group: P -3
Cell volume: 3166.8
Cell parameters: 15.8927; 15.8927; 14.4775; 90; 90; 120;  

COD ID: 4101302
CIF file Formula: - C36 H72 K2 N4 O12 Pb12 Pt -
Comments: Esenturk, Emren N; Fettinger, James; Eichhorn, Bryan The Pb12(2-) and Pb10(2-) zintl ions and the M@Pb12(2-) and M@Pb10(2-) cluster series where M = Ni, Pd, Pt. Journal of the American Chemical Society 128(28) (2006) 9178-9186
Space group: P -3
Cell volume: 1719.1
Cell parameters: 13.041; 13.041; 11.672; 90; 90; 120;  

COD ID: 4101716
CIF file Formula: - C81 H144 La3 N15 Si6 -
Comments: Evans, William J.; Montalvo, Elizabeth; Champagne, Timothy M.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L. Organolanthanide-based synthesis of 1,2,3-triazoles from nitriles and diazo compounds. Journal of the American Chemical Society 130(1) (2008) 16-17
Space group: P -3
Cell volume: 5236.3
Cell parameters: 20.4393; 20.4393; 14.4731; 90; 90; 120;  

COD ID: 4102277
CIF file Formula: - C21 H21 Br3 In O3 P -
Comments: Fu Chen; Guibin Ma; Guy M. Bernard; Ronald G. Cavell; Robert McDonald; Michael J. Ferguson; Roderick E. Wasylishen Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts Journal of the American Chemical Society 132 (2010) 5479-5493
Space group: P -3
Cell volume: 1221.5
Cell parameters: 12.8528; 12.8528; 8.5383; 90; 90; 120;  

COD ID: 4103945
CIF file Formula: - C26 H48 La N Si2 -
Comments: William J. Evans; Thomas J. Mueller; Joseph W. Ziller Reactivity of (C5Me5)3LaLx Complexes: Synthesis of a Tris(pentamethylcyclopentadienyl) Complex with Two Additional Ligands, (C5Me5)3La(NCCMe3)2 Journal of the American Chemical Society 131 (2009) 2678-2686
Space group: P -3
Cell volume: 4282.7
Cell parameters: 17.7905; 17.7905; 15.6247; 90; 90; 120;  

COD ID: 4104839
CIF file Formula: - C36 H84 Cu8 F12 O12 P8 Se12 -
Comments: C. W. Liu; Bijay Sarkar; Yao-Jheng Huang; Ping-Kuei Liao; Ju-Chun Wang; Jean-Yves Saillard; Samia Kahlal Octanuclear Copper(I) Clusters Inscribed in a Se12 Icosahedron: Anion-Induced Modulation of the Core Size and Symmetry Journal of the American Chemical Society 131 (2009) 11222-11233
Space group: P -3
Cell volume: 2035.69
Cell parameters: 14.707; 14.707; 10.8676; 90; 90; 120;  

COD ID: 4106185
CIF file Formula: - C24 H24 O2 -
Comments: Ana Pérez; José Luis Serrano; Teresa Sierra; Alfredo Ballesteros; Diana de Saá; José Barluenga Control of Self-Assembly of a 3-Hexen-1,5-diyne Derivative: Toward Soft Materials with an Aggregation-Induced Enhancement in Emission Journal of the American Chemical Society 133 (2011) 8110-8113
Space group: P -3
Cell volume: 1621.5
Cell parameters: 18.5892; 18.5892; 5.4184; 90; 90; 120;  

COD ID: 4109998
CIF file Formula: - C26 H39.94 N6 Ni O6 S2 -
Comments: Sean A. Dalrymple; George K. H. Shimizu Crystal Engineering of a Permanently Porous Network Sustained Exclusively by Charge-Assisted Hydrogen Bonds Journal of the American Chemical Society 129 (2007) 12114-12116
Space group: P -3
Cell volume: 2293.8
Cell parameters: 13.862; 13.862; 13.784; 90; 90; 120;  

COD ID: 4112389
CIF file Formula: - Al56 Ge3 Mn14 -
Comments: Li-Ming Wu; Dong-Kyun Seo Mn14Al56+xGe3-x (x= 0-0.6): A New Intermetallic Phase Containing Unprecedented "Half-Broken" Mackay Icosahedra as Building Units Journal of the American Chemical Society 126 (2004) 4398-4403
Space group: P -3
Cell volume: 1103.9
Cell parameters: 11.098; 11.098; 10.3496; 90; 90; 120;  

COD ID: 4112390
CIF file Formula: - Al56.31 Ge2.69 Mn14 -
Comments: Li-Ming Wu; Dong-Kyun Seo Mn14Al56+xGe3-x (x= 0-0.6): A New Intermetallic Phase Containing Unprecedented "Half-Broken" Mackay Icosahedra as Building Units Journal of the American Chemical Society 126 (2004) 4398-4403
Space group: P -3
Cell volume: 1104.7
Cell parameters: 11.1018; 11.1018; 10.3501; 90; 90; 120;  

COD ID: 4112391
CIF file Formula: - Al56.61 Ge2.39 Mn14 -
Comments: Li-Ming Wu; Dong-Kyun Seo Mn14Al56+xGe3-x (x= 0-0.6): A New Intermetallic Phase Containing Unprecedented "Half-Broken" Mackay Icosahedra as Building Units Journal of the American Chemical Society 126 (2004) 4398-4403
Space group: P -3
Cell volume: 1105.4
Cell parameters: 11.103; 11.103; 10.3537; 90; 90; 120;  

COD ID: 4112706
CIF file Formula: - C36 H57 N4 O0.5 Si W -
Comments: Christopher R. Clough; Jane B. Greco; Joshua S. Figueroa; Paula L. Diaconescu; William M. Davis; Christopher C. Cummins Organic Nitriles from Acid Chlorides: An Isovalent N for (O)Cl Exchange Reaction Mediated by a Tungsten Nitride Complex Journal of the American Chemical Society 126 (2004) 7742-7743
Space group: P -3
Cell volume: 1934
Cell parameters: 14.973; 14.973; 9.96; 90; 90; 120;  

COD ID: 4112968
CIF file Formula: - C9 Mo3 S22 -
Comments: Rosa Llusar; Santiago Uriel; Cristian Vicent; Juan M. Clemente-Juan; Eugenio Coronado; Carlos J. Gómez-García; Benoit Braïda; Enric Canadell Single-Component Magnetic Conductors Based on Mo3S7 Trinuclear Clusters with Outer Dithiolate Ligands Journal of the American Chemical Society 126 (2004) 12076-12083
Space group: P -3
Cell volume: 2145.9
Cell parameters: 19.439; 19.439; 6.5573; 90; 90; 120;  

COD ID: 4114012
CIF file Formula: - C55 H76 Cl2 N12 Ni6 O33 Sr -
Comments: Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties Journal of the American Chemical Society 125 (2003) 9476-9483
Space group: P -3
Cell volume: 1720.5
Cell parameters: 12.469; 12.469; 12.778; 90; 90; 120;  

COD ID: 4114013
CIF file Formula: - C55 H76 Ba Cl2 N12 Ni6 O33 -
Comments: Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties Journal of the American Chemical Society 125 (2003) 9476-9483
Space group: P -3
Cell volume: 1740.3
Cell parameters: 12.5041; 12.5041; 12.8523; 90; 90; 120;  

COD ID: 4114014
CIF file Formula: - C54 H72 Cl3 La N12 Ni6 O36 -
Comments: Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties Journal of the American Chemical Society 125 (2003) 9476-9483
Space group: P -3
Cell volume: 1711
Cell parameters: 12.4549; 12.4549; 12.736; 90; 90; 120;  

COD ID: 4114015
CIF file Formula: - C54 H72 Ce Cl3 N12 Ni6 O36 -
Comments: Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties Journal of the American Chemical Society 125 (2003) 9476-9483
Space group: P -3
Cell volume: 1718.6
Cell parameters: 12.4792; 12.4792; 12.7432; 90; 90; 120;  

COD ID: 4114016
CIF file Formula: - C54 H72 Cl3 N12 Ni6 O36 Pr -
Comments: Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties Journal of the American Chemical Society 125 (2003) 9476-9483
Space group: P -3
Cell volume: 1705.8
Cell parameters: 12.4276; 12.4276; 12.753; 90; 90; 120;  

COD ID: 4114017
CIF file Formula: - C54 H72 Cl3 N12 Nd Ni6 O36 -
Comments: Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties Journal of the American Chemical Society 125 (2003) 9476-9483
Space group: P -3
Cell volume: 1715.09
Cell parameters: 12.4749; 12.4749; 12.7257; 90; 90; 120;  

COD ID: 4114022
CIF file Formula: - C84 H124 Cl3 N18 Na4 Ni9 O53.5 -
Comments: Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties Journal of the American Chemical Society 125 (2003) 9476-9483
Space group: P -3
Cell volume: 6276.5
Cell parameters: 17.008; 17.008; 25.054; 90; 90; 120;  

COD ID: 4114408
CIF file Formula: - C48 H28 Ag6 Fe3 N24 O2 -
Comments: Ana Galet; Virginie Niel; M. Carmen Muñoz; José A. Real Synergy between Spin Crossover and Metallophilicity in Triple Interpenetrated 3D Nets with the NbO Structure Type Journal of the American Chemical Society 125 (2003) 14224-14225
Space group: P -3
Cell volume: 1398.01
Cell parameters: 15.29; 15.29; 6.905; 90; 90; 120;  

COD ID: 4114409
CIF file Formula: - C48 H28 Ag6 Fe3 N24 O2 -
Comments: Ana Galet; Virginie Niel; M. Carmen Muñoz; José A. Real Synergy between Spin Crossover and Metallophilicity in Triple Interpenetrated 3D Nets with the NbO Structure Type Journal of the American Chemical Society 125 (2003) 14224-14225
Space group: P -3
Cell volume: 1539.19
Cell parameters: 15.707; 15.707; 7.204; 90; 90; 120;  

COD ID: 4115743
CIF file Formula: - C H16 Co4 N O13 S -
Comments: Apinpus Rujiwatra; Cameron J. Kepert; John B. Claridge; Matthew J. Rosseinsky; Hitoshi Kumagai; Mohamedally Kurmoo Layered Cobalt Hydroxysulfates with Both Rigid and Flexible Organic Pillars: Synthesis, Structure, Porosity, and Cooperative Magnetism Journal of the American Chemical Society 123 (2001) 10584-10594
Space group: P -3
Cell volume: 627.27
Cell parameters: 8.298; 8.298; 10.519; 90; 90; 120;  

COD ID: 4116760
CIF file Formula: - C12 H13 B Cl2 N7 O Os -
Comments: Thomas J. Crevier; Scott Lovell; James M. Mayer; Arnold L. Rheingold; Ilia A. Guzei Chalcogen Atom Transfer to a Metal Nitrido. The First Transition Metal Selenonitrosyl Complex Journal of the American Chemical Society 120 (1998) 6607-6608
Space group: P -3
Cell volume: 864.1
Cell parameters: 11.3735; 11.3735; 7.7134; 90; 90; 120;  

COD ID: 4118364
CIF file Formula: - C298 H0 Co14 In18 N14 O224 -
Comments: Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters Journal of the American Chemical Society 134 (2012) 11936-11939
Space group: P -3
Cell volume: 21153
Cell parameters: 49.576; 49.576; 9.938; 90; 90; 120;  

COD ID: 4118365
CIF file Formula: - C298 H284 In18 N14 Ni14 O224 -
Comments: Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters Journal of the American Chemical Society 134 (2012) 11936-11939
Space group: P -3
Cell volume: 21120
Cell parameters: 49.59; 49.59; 9.9168; 90; 90; 120;  

COD ID: 4118366
CIF file Formula: - C298 H284 In18 Mn14 N14 O224 -
Comments: Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters Journal of the American Chemical Society 134 (2012) 11936-11939
Space group: P -3
Cell volume: 21183.7
Cell parameters: 49.4418; 49.4418; 10.0065; 90; 90; 120;  

COD ID: 4119755
CIF file Formula: - C60 H114 N18 O72 U6 -
Comments: Daniel K. Unruh; Kyle Gojdas; Anna Libo; Tori Z. Forbes Development of Metal-Organic Nanotubes Exhibiting Low-Temperature, Reversible Exchange of Confined "Ice Channels" Journal of the American Chemical Society 135 (2013) 7398-7401
Space group: P -3
Cell volume: 2856.6
Cell parameters: 22.3054; 22.3054; 6.6297; 90; 90; 120;  

COD ID: 4119756
CIF file Formula: - C60 H102 N18 O72 U6 -
Comments: Daniel K. Unruh; Kyle Gojdas; Anna Libo; Tori Z. Forbes Development of Metal-Organic Nanotubes Exhibiting Low-Temperature, Reversible Exchange of Confined "Ice Channels" Journal of the American Chemical Society 135 (2013) 7398-7401
Space group: P -3
Cell volume: 2880.4
Cell parameters: 22.4622; 22.4622; 6.592; 90; 90; 120;  

COD ID: 4119757
CIF file Formula: - C60 H102 N18 O60 U6 -
Comments: Daniel K. Unruh; Kyle Gojdas; Anna Libo; Tori Z. Forbes Development of Metal-Organic Nanotubes Exhibiting Low-Temperature, Reversible Exchange of Confined "Ice Channels" Journal of the American Chemical Society 135 (2013) 7398-7401
Space group: P -3
Cell volume: 2912.6
Cell parameters: 22.6821; 22.6821; 6.5371; 90; 90; 120;  

COD ID: 4119758
CIF file Formula: - C60 H102 N18 O60 U6 -
Comments: Daniel K. Unruh; Kyle Gojdas; Anna Libo; Tori Z. Forbes Development of Metal-Organic Nanotubes Exhibiting Low-Temperature, Reversible Exchange of Confined "Ice Channels" Journal of the American Chemical Society 135 (2013) 7398-7401
Space group: P -3
Cell volume: 2912.21
Cell parameters: 22.6972; 22.6972; 6.5275; 90; 90; 120;  

COD ID: 4119759
CIF file Formula: - C60 H102 N18 O72 U6 -
Comments: Daniel K. Unruh; Kyle Gojdas; Anna Libo; Tori Z. Forbes Development of Metal-Organic Nanotubes Exhibiting Low-Temperature, Reversible Exchange of Confined "Ice Channels" Journal of the American Chemical Society 135 (2013) 7398-7401
Space group: P -3
Cell volume: 2902.3
Cell parameters: 22.5338; 22.5338; 6.5999; 90; 90; 120;  

COD ID: 4119760
CIF file Formula: - C60 H102 N18 O72 U6 -
Comments: Daniel K. Unruh; Kyle Gojdas; Anna Libo; Tori Z. Forbes Development of Metal-Organic Nanotubes Exhibiting Low-Temperature, Reversible Exchange of Confined "Ice Channels" Journal of the American Chemical Society 135 (2013) 7398-7401
Space group: P -3
Cell volume: 2916.9
Cell parameters: 22.6097; 22.6097; 6.5888; 90; 90; 120;  

COD ID: 4119911
CIF file Formula: - C254 H317 Cd18 Cl8 N18 Nd6 O92 -
Comments: Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures Journal of the American Chemical Society 135 (2013) 8468-8471
Space group: P -3
Cell volume: 56440
Cell parameters: 51.623; 51.623; 24.455; 90; 90; 120;  

COD ID: 4119912
CIF file Formula: - C254 H317 Cd18 Cl8 Gd6 N18 O92 -
Comments: Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures Journal of the American Chemical Society 135 (2013) 8468-8471
Space group: P -3
Cell volume: 55551
Cell parameters: 51.282; 51.282; 24.391; 90; 90; 120;  

COD ID: 4119941
CIF file Formula: - C50 H46 B2 P4 S2 -
Comments: Hadrien Heuclin; Samuel Y.-F. Ho; Xavier F. Le Goff; Cheuk-Wai So; Nicolas Mézailles Facile B-H Bond Activation of Borane by Stable Carbenoid Species Journal of the American Chemical Society 135 (2013) 8774-8777
Space group: P -3
Cell volume: 7128.6
Cell parameters: 29.053; 29.053; 9.752; 90; 90; 120;  

COD ID: 4120778
CIF file Formula: - C43 H36 Cl3 S3 Si2 -
Comments: Jie Zong; Joel T. Mague; Robert A. Pascal Exceptional Steric Congestion in an in,in-Bis(hydrosilane) Journal of the American Chemical Society 135 (2013) 13235-13237
Space group: P -3
Cell volume: 1939.22
Cell parameters: 14.0183; 14.0183; 11.3948; 90; 90; 120;  

COD ID: 4121089
CIF file Formula: - Ge Nb13 O60 Rb13 -
Comments: Yu Hou; Lev N. Zakharov; May Nyman Observing Assembly of Complex Inorganic Materials from Polyoxometalate Building Blocks Journal of the American Chemical Society 135 (2013) 16651-16657
Space group: P -3
Cell volume: 3295.4
Cell parameters: 13.849; 13.849; 19.84; 90; 90; 120;  

COD ID: 4121312
CIF file Formula: - C37 H15 B F16 N3 S3 Zn -
Comments: Wesley Sattler; Serge Ruccolo; Gerard Parkin Synthesis, Structure, and Reactivity of a Terminal Organozinc Fluoride Compound: Hydrogen Bonding, Halogen Bonding, and Donor-Acceptor Interactions Journal of the American Chemical Society 135 (2013) 18714-18717
Space group: P -3
Cell volume: 1870.3
Cell parameters: 13.735; 13.735; 11.4476; 90; 90; 120;  

COD ID: 4121814
CIF file Formula: - C84 H54 O14 Zn4 -
Comments: Zhang, Mei; Feng, Guangxue; Song, Zhegang; Zhou, Yu-Peng; Chao, Hsiu-Yi; Yuan, Daqiang; Tan, Tristan T. Y.; Guo, Zhengang; Hu, Zhigang; Tang, Ben Zhong; Liu, Bin; Zhao, Dan Two-dimensional metal-organic framework with wide channels and responsive turn-on fluorescence for the chemical sensing of volatile organic compounds. Journal of the American Chemical Society 136(20) (2014) 7241-7244
Space group: P -3
Cell volume: 6420
Cell parameters: 25.2432; 25.2432; 11.6336; 90; 90; 120;  

COD ID: 4121815
CIF file Formula: - C84 H54 O13 Zn4 -
Comments: Zhang, Mei; Feng, Guangxue; Song, Zhegang; Zhou, Yu-Peng; Chao, Hsiu-Yi; Yuan, Daqiang; Tan, Tristan T. Y.; Guo, Zhengang; Hu, Zhigang; Tang, Ben Zhong; Liu, Bin; Zhao, Dan Two-dimensional metal-organic framework with wide channels and responsive turn-on fluorescence for the chemical sensing of volatile organic compounds. Journal of the American Chemical Society 136(20) (2014) 7241-7244
Space group: P -3
Cell volume: 6438.8
Cell parameters: 25.2435; 25.2435; 11.6675; 90; 90; 120;  

COD ID: 4124741
CIF file Formula: - C39 H60 In N4 Ni P3 -
Comments: Cammarota, Ryan C.; Lu, Connie C. Tuning Nickel with Lewis Acidic Group 13 Metalloligands for Catalytic Olefin Hydrogenation. Journal of the American Chemical Society 137(39) (2015) 12486-12489
Space group: P -3
Cell volume: 2173.7
Cell parameters: 10.879; 10.879; 21.208; 90; 90; 120;  

COD ID: 4124750
CIF file Formula: - C38.64 H41.3 N1.5 Ni2 O14.91 -
Comments: Zhou, Zhen; He, Cheng; Xiu, Jinghai; Yang, Lu; Duan, Chunying Metal-Organic Polymers Containing Discrete Single-Walled Nanotube as a Heterogeneous Catalyst for the Cycloaddition of Carbon Dioxide to Epoxides. Journal of the American Chemical Society 137(48) (2015) 15066-15069
Space group: P -3
Cell volume: 9106.3
Cell parameters: 27.7832; 27.7832; 13.6222; 90; 90; 120;  

COD ID: 4124751
CIF file Formula: - C33 H31 N Ni2 O13 -
Comments: Zhou, Zhen; He, Cheng; Xiu, Jinghai; Yang, Lu; Duan, Chunying Metal-Organic Polymers Containing Discrete Single-Walled Nanotube as a Heterogeneous Catalyst for the Cycloaddition of Carbon Dioxide to Epoxides. Journal of the American Chemical Society 137(48) (2015) 15066-15069
Space group: P -3
Cell volume: 9016.5
Cell parameters: 27.593; 27.593; 13.6745; 90; 90; 120;  

COD ID: 4125197
CIF file Formula: - C31 H46 B Li N4 O2 -
Comments: Mukherjee, Debabrata; Osseili, Hassan; Spaniol, Thomas P.; Okuda, Jun Alkali Metal Hydridotriphenylborates [(L)M][HBPh3] (M = Li, Na, K): Chemoselective Catalysts for Carbonyl and CO2 Hydroboration. Journal of the American Chemical Society 138(34) (2016) 10790-10793
Space group: P -3
Cell volume: 1566.7
Cell parameters: 11.66; 11.66; 13.306; 90; 90; 120;  

COD ID: 4125681
CIF file Formula: - C246 H204 N2 Ni24 O138 -
Comments: Zhang, Chen; Patil, Rahul S.; Liu, Chong; Barnes, Charles L.; Atwood, Jerry L. Controlled 2D Assembly of Nickel-Seamed Hexameric Pyrogallol[4]arene Nanocapsules. Journal of the American Chemical Society 139(8) (2017) 2920-2923
Space group: P -3
Cell volume: 28072.8
Cell parameters: 37.979; 37.979; 22.4734; 90; 90; 120;  

COD ID: 4126489
CIF file Formula: - C33 H50 B Fe N7 -
Comments: Martinez, Jorge L.; Lin, Hsiu-Jung; Lee, Wei-Tsung; Pink, Maren; Chen, Chun-Hsing; Gao, Xinfeng; Dickie, Diane A.; Smith, Jeremy M. Cyanide Ligand Assembly by Carbon Atom Transfer to an Iron Nitride. Journal of the American Chemical Society (2017)
Space group: P -3
Cell volume: 1808.6
Cell parameters: 10.302; 10.302; 19.677; 90; 90; 120;  

COD ID: 4127720
CIF file Formula: - C34 H23 N O3.12 -
Comments: Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D. Electrostatically Driven CO-π Aromatic Interactions. Journal of the American Chemical Society 141(32) (2019) 12513-12517
Space group: P -3
Cell volume: 10859.2
Cell parameters: 35.4911; 35.4911; 9.9547; 90; 90; 120;  

COD ID: 4129716
CIF file Formula: - C86 H137 Co2 K2 N12 O19.44 -
Comments: Stauber, Julia M.; Bloch, Eric D.; Vogiatzis, Konstantinos D.; Zheng, Shao-Liang; Hadt, Ryan G.; Hayes, Dugan; Chen, Lin X.; Gagliardi, Laura; Nocera, Daniel G.; Cummins, Christopher C. Pushing Single-Oxygen-Atom-Bridged Bimetallic Systems to the Right: A Cryptand-Encapsulated Co-O-Co Unit. Journal of the American Chemical Society 137(49) (2015) 15354-15357
Space group: P -3
Cell volume: 4362.9
Cell parameters: 13.0171; 13.0171; 29.7312; 90; 90; 120;  

COD ID: 4129979
CIF file Formula: - C81 H27 Bi9 O63 -
Comments: Inge, A. Ken; Köppen, Milan; Su, Jie; Feyand, Mark; Xu, Hongyi; Zou, Xiaodong; O'Keeffe, Michael; Stock, Norbert Unprecedented Topological Complexity in a Metal-Organic Framework Constructed from Simple Building Units. Journal of the American Chemical Society 138(6) (2016) 1970-1976
Space group: P -3
Cell volume: 19240.5
Cell parameters: 47.21; 47.21; 9.9682; 90; 90; 120;  

COD ID: 4130074
CIF file Formula: - C33 H50 B N4 P -
Comments: Mummadi, Suresh; Unruh, Daniel K.; Zhao, Jiyang; Li, Shuhua; Krempner, Clemens "Inverse" Frustrated Lewis Pairs‒Activation of Dihydrogen with Organosuperbases and Moderate to Weak Lewis Acids. Journal of the American Chemical Society 138(10) (2016) 3286-3289
Space group: P -3
Cell volume: 1579.4
Cell parameters: 11.0056; 11.0056; 15.0573; 90; 90; 120;  

COD ID: 4132140
CIF file Formula: - C87.5 H64 Cl F9 Fe3 N12 O13 S3 -
Comments: Arnett, Charles H.; Chalkley, Matthew J.; Agapie, Theodor A Thermodynamic Model for Redox-Dependent Binding of Carbon Monoxide at Site-Differentiated, High Spin Iron Clusters. Journal of the American Chemical Society 140(16) (2018) 5569-5578
Space group: P -3
Cell volume: 4658.5
Cell parameters: 23.4333; 23.4333; 9.796; 90; 90; 120;  

COD ID: 4132303
CIF file Formula: - C27.36 H7.44 F12 N12 O0.36 -
Comments: Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I. Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics. Journal of the American Chemical Society 140(18) (2018) 6014-6026
Space group: P -3
Cell volume: 1621.9
Cell parameters: 19.4179; 19.4179; 4.9668; 90; 90; 120;  

COD ID: 4132971
CIF file Formula: - C33 H23 N O2 S -
Comments: Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D. Tipping the Balance between S-π and O-π Interactions. Journal of the American Chemical Society 140(41) (2018) 13301-13307
Space group: P -3
Cell volume: 10883.6
Cell parameters: 36.371; 36.371; 9.5002; 90; 90; 120;  

COD ID: 4132972
CIF file Formula: - C33 H23 N O3 -
Comments: Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D. Tipping the Balance between S-π and O-π Interactions. Journal of the American Chemical Society 140(41) (2018) 13301-13307
Space group: P -3
Cell volume: 10714
Cell parameters: 36.213; 36.213; 9.4339; 90; 90; 120;  

COD ID: 4300033
CIF file Formula: - C60 H87 Mo2 N4 S3 -
Comments: Theodor Agapie; Aaron L. Odom; Christopher C. Cummins In Pursuit of the Molybdenum(III) Tris(thiolate) Fragment: Unusual Structure of a Dimolybdenum μ-Nitrido Complex Inorganic Chemistry 39 (2000) 174-179
Space group: P -3
Cell volume: 3409.9
Cell parameters: 15.677; 15.677; 16.021; 90; 90; 120;  

COD ID: 4300221
CIF file Formula: - C29 H20 B F18 Ga2 I3 N6 -
Comments: H. V. Rasika Dias; Wiechang Jin Low-Valent Gallium, Indium, and Tin Compounds That Contain a Highly Fluorinated Tris(pyrazolyl)borate Ligand: Syntheses and Characterization of [HB(3,5-(CF3)2Pz)3]Ga, [HB(3,5-(CF3)2Pz)3]In, and [HB(3,5-(CF3)2Pz)3]Sn(CF3SO3) Inorganic Chemistry 39 (2000) 815-819
Space group: P -3
Cell volume: 6585.7
Cell parameters: 19.159; 19.159; 20.717; 90; 90; 120;  

COD ID: 4300690
CIF file Formula: - C60 H48 B3 I6 N3 O6 -
Comments: Victor Barba Inorganic Chemistry (2006)
Space group: P -3
Cell volume: 3276.6
Cell parameters: 15.4284; 15.4284; 15.8947; 90; 90; 120;  

COD ID: 4301938
CIF file Formula: - Cl18 Rb2 W6 -
Comments: Sonja Tragl; Markus Ströbele; Jochen Glaser; Cristian Vicent; Rosa Llusar; H.-Jürgen Meyer Compounds with the Electron-Rich [W6Cl18]2- Cluster Anion Inorganic Chemistry 48 (2009) 3825-3831
Space group: P -3
Cell volume: 630.07
Cell parameters: 9.2409487; 9.2409487; 8.5197163; 90; 90; 120;  

COD ID: 4303479
CIF file Formula: - C54 H72 Fe N22 O13 S -
Comments: Fuyu Zhuge; Biao Wu; Jianjun Liang; Jin Yang; Yanyan Liu; Chuandong Jia; Christoph Janiak; Ning Tang; Xiao-Juan Yang Full- or Half-Encapsulation of Sulfate Anion by a Tris(3-pyridylurea) Receptor: Effect of the Secondary Coordination Sphere Inorganic Chemistry 48 (2009) 10249-10256
Space group: P -3
Cell volume: 3263.38
Cell parameters: 14.1477; 14.1477; 18.8263; 90; 90; 120;  

COD ID: 4303503
CIF file Formula: - C72 H97 O8 Sb Si -
Comments: Daniel Mendoza-Espinosa; Tracy A. Hanna Facile Synthesis of Bismuth(III) and Antimony(III) Complexes Supported by Silylated Calix[5]arenes. Inorganic Chemistry 48 (2009) 10312-10325
Space group: P -3
Cell volume: 12199
Cell parameters: 31.122; 31.122; 14.5433; 90; 90; 120;  

COD ID: 4303753
CIF file Formula: - C22 H42 F2 Ga6 N6 O42.49 P8 -
Comments: Sarah J. Choyke; Samuel M. Blau; Abigail A. Larner; Amy Narducci Sarjeant; Jeongho Yeon; P. Shiv Halasyamani; Alexander J. Norquist Noncentrosymmetry in New Templated Gallium Fluorophosphates Inorganic Chemistry 48 (2009) 11277-11282
Space group: P -3
Cell volume: 1468.59
Cell parameters: 13.0863; 13.0863; 9.9023; 90; 90; 120;  

COD ID: 4306395
CIF file Formula: - C55 H46.5 Cl Mn3 N9.5 O11 -
Comments: Chen-I Yang; Wolfgang Wernsdorfer; Kai-Hung Cheng; Motohiro Nakano; Gene-Hsiang Lee; Hui-Lien Tsai A [MnIII3O]7+ Single-Molecule Magnet: the Anisotropy Barrier Enhanced by Structural Distortion Inorganic Chemistry 47 (2008) 10184-10186
Space group: P -3
Cell volume: 2631.7
Cell parameters: 12.8734; 12.8734; 18.3364; 90; 90; 120;  

COD ID: 4306440
CIF file Formula: - C23 H40 As7 Cl4 F42 N35 S21 -
Comments: Carsten Knapp; Paul G. Watson; Enno Lork; Daniel H. Friese; Rüdiger Mews; Andreas Decken Trithiatetrazocine Cations, [RCN4S3]+; Planar Sulfur-Nitrogen 10π Aromatics Inorganic Chemistry 47 (2008) 10618-10625
Space group: P -3
Cell volume: 2349.3
Cell parameters: 18.69; 18.69; 7.766; 90; 90; 120;  

COD ID: 4307165
CIF file Formula: - C27.5 H16.5 B Br6 Cl1.5 N6 Tl -
Comments: Glen P. A. Yap; Fernando Jove; Juan Urbano; Eleuterio Alvarez; Swiatoslaw Trofimenko; M. Mar Díaz-Requejo; Pedro J. Pérez Unusual Polybrominated Polypyrazolylborates and Their Copper(I) Complexes: Synthesis, Characterization, and Catalytic Activity Inorganic Chemistry 46 (2007) 780-787
Space group: P -3
Cell volume: 1722.9
Cell parameters: 13.3; 13.3; 11.247; 90; 90; 120;  

COD ID: 4307166
CIF file Formula: - C32 H30 B Br6 N6 O2 Tl -
Comments: Glen P. A. Yap; Fernando Jove; Juan Urbano; Eleuterio Alvarez; Swiatoslaw Trofimenko; M. Mar Díaz-Requejo; Pedro J. Pérez Unusual Polybrominated Polypyrazolylborates and Their Copper(I) Complexes: Synthesis, Characterization, and Catalytic Activity Inorganic Chemistry 46 (2007) 780-787
Space group: P -3
Cell volume: 1923.9
Cell parameters: 13.153; 13.153; 12.841; 90; 90; 120;  

COD ID: 4308171
CIF file Formula: - C18.75 H33 F12 Fe N24 O0.75 P2 -
Comments: Matthias Bartel; Alina Absmeier; Guy N. L. Jameson; Franz Werner; Kenichi Kato; Masaki Takata; Roman Boca; Miki Hasegawa; Kurt Mereiter; Andrea Caneschi; Wolfgang Linert Modification of Spin Crossover Behavior through Solvent Assisted Formation and Solvent Inclusion in a Triply Interpenetrating Three-Dimensional Network Inorganic Chemistry 46 (2007) 4220-4229
Space group: P -3
Cell volume: 905.85
Cell parameters: 10.9686; 10.9686; 8.6941; 90; 90; 120;  

COD ID: 4308172
CIF file Formula: - C18.75 H33 F12 Fe N24 O0.75 P2 -
Comments: Matthias Bartel; Alina Absmeier; Guy N. L. Jameson; Franz Werner; Kenichi Kato; Masaki Takata; Roman Boca; Miki Hasegawa; Kurt Mereiter; Andrea Caneschi; Wolfgang Linert Modification of Spin Crossover Behavior through Solvent Assisted Formation and Solvent Inclusion in a Triply Interpenetrating Three-Dimensional Network Inorganic Chemistry 46 (2007) 4220-4229
Space group: P -3
Cell volume: 905.3
Cell parameters: 10.963; 10.963; 8.6978; 90; 90; 120;  

COD ID: 4308173
CIF file Formula: - C18.5 H31.5 F12 Fe N24 O0.25 P2 -
Comments: Matthias Bartel; Alina Absmeier; Guy N. L. Jameson; Franz Werner; Kenichi Kato; Masaki Takata; Roman Boca; Miki Hasegawa; Kurt Mereiter; Andrea Caneschi; Wolfgang Linert Modification of Spin Crossover Behavior through Solvent Assisted Formation and Solvent Inclusion in a Triply Interpenetrating Three-Dimensional Network Inorganic Chemistry 46 (2007) 4220-4229
Space group: P -3
Cell volume: 906.25
Cell parameters: 10.9726; 10.9726; 8.6916; 90; 90; 120;  

COD ID: 4308174
CIF file Formula: - C18.5 H31.5 F12 Fe N24 O0.25 P2 -
Comments: Matthias Bartel; Alina Absmeier; Guy N. L. Jameson; Franz Werner; Kenichi Kato; Masaki Takata; Roman Boca; Miki Hasegawa; Kurt Mereiter; Andrea Caneschi; Wolfgang Linert Modification of Spin Crossover Behavior through Solvent Assisted Formation and Solvent Inclusion in a Triply Interpenetrating Three-Dimensional Network Inorganic Chemistry 46 (2007) 4220-4229
Space group: P -3
Cell volume: 904.82
Cell parameters: 10.9697; 10.9697; 8.6824; 90; 90; 120;  

COD ID: 4309132
CIF file Formula: - C24 H36 Cl2 Fe N18 O8 -
Comments: Robert Bronisz 1,4-Di(1,2,3-triazol-1-yl)butane as Building Block for the Preparation of the Iron(II) Spin-Crossover 2D Coordination Polymer Inorganic Chemistry 44 (2005) 4463-4465
Space group: P -3
Cell volume: 928.19
Cell parameters: 11.719; 11.719; 7.8041; 90; 90; 120;  

COD ID: 4309133
CIF file Formula: - C24 H36 Cl2 Fe N18 O8 -
Comments: Robert Bronisz 1,4-Di(1,2,3-triazol-1-yl)butane as Building Block for the Preparation of the Iron(II) Spin-Crossover 2D Coordination Polymer Inorganic Chemistry 44 (2005) 4463-4465
Space group: P -3
Cell volume: 911.35
Cell parameters: 11.6562; 11.6562; 7.7453; 90; 90; 120;  

COD ID: 4309134
CIF file Formula: - C24 H36 Cl2 Fe N18 O8 -
Comments: Robert Bronisz 1,4-Di(1,2,3-triazol-1-yl)butane as Building Block for the Preparation of the Iron(II) Spin-Crossover 2D Coordination Polymer Inorganic Chemistry 44 (2005) 4463-4465
Space group: P -3
Cell volume: 907.89
Cell parameters: 11.6138; 11.6138; 7.7724; 90; 90; 120;  

COD ID: 4309462
CIF file Formula: - C72 H66 Cs2 N12 Ni12 O40 S12 -
Comments: Simon M. Humphrey; Richard A. Mole; Mary McPartlin; Eric J. L. McInnes; Paul T. Wood Isolated Magnetic Clusters of Co(II) and Ni(II) within 3-Dimensional Organic Frameworks of 6-Mercaptonicotinic Acid: Unique Structural Topologies Based on Selectivity for Hard and Soft Coordination Environments Inorganic Chemistry 44 (2005) 5981-5983
Space group: P -3
Cell volume: 2665.31
Cell parameters: 19.0136; 19.0136; 8.5131; 90; 90; 120;  

COD ID: 4310287
CIF file Formula: - C18 H30 F12 Fe N24 O1.3 P2 -
Comments: C. Matthias Grunert; Johannes Schweifer; Peter Weinberger; Wolfgang Linert; Kurt Mereiter; Gerfried Hilscher; Martin Müller; Günter Wiesinger; Petra J. van Koningsbruggen Structure and Physical Properties of [μ-Tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] Bis(hexafluorophosphate), a New Fe(II) Spin-Crossover Compound with a Three-Dimensional Threefold Interlocked Crystal Lattice Inorganic Chemistry 43 (2004) 155-165
Space group: P -3
Cell volume: 982.2
Cell parameters: 11.258; 11.258; 8.948; 90; 90; 120;  

COD ID: 4310288
CIF file Formula: - C18 H30 F12 Fe N24 O1.3 P2 -
Comments: C. Matthias Grunert; Johannes Schweifer; Peter Weinberger; Wolfgang Linert; Kurt Mereiter; Gerfried Hilscher; Martin Müller; Günter Wiesinger; Petra J. van Koningsbruggen Structure and Physical Properties of [μ-Tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] Bis(hexafluorophosphate), a New Fe(II) Spin-Crossover Compound with a Three-Dimensional Threefold Interlocked Crystal Lattice Inorganic Chemistry 43 (2004) 155-165
Space group: P -3
Cell volume: 910.1
Cell parameters: 10.989; 10.989; 8.702; 90; 90; 120;  

COD ID: 4310289
CIF file Formula: - C18 H30 F12 Fe N24 O1.3 P2 -
Comments: C. Matthias Grunert; Johannes Schweifer; Peter Weinberger; Wolfgang Linert; Kurt Mereiter; Gerfried Hilscher; Martin Müller; Günter Wiesinger; Petra J. van Koningsbruggen Structure and Physical Properties of [μ-Tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] Bis(hexafluorophosphate), a New Fe(II) Spin-Crossover Compound with a Three-Dimensional Threefold Interlocked Crystal Lattice Inorganic Chemistry 43 (2004) 155-165
Space group: P -3
Cell volume: 912.3
Cell parameters: 10.995; 10.995; 8.714; 90; 90; 120;  


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