Crystallography Open Database

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Searching space group like 'P b c m'

COD ID: 1000332
CIF file Formula: - Ba F4 O Ti -
Comments: Crosnier, M P; Fourquet, J L Synthesis and crystal structure of BaTiOF~4~ European Journal of Solid State Inorganic Chemistry 29 (1992) 199-206
Space group: P b c m
Cell volume: 392.5
Cell parameters: 5.1719; 13.7555; 5.5178; 90; 90; 90;  

COD ID: 1000394
CIF file Formula: - C Ba Cu F2 O3 -
Comments: Leblanc, M; Mercier, N; Attfield, J - P Revision of the structure of Ba Cu (C O3) F2 by neutron diffraction European Journal of Solid State Inorganic Chemistry 32 (1995) 535-538
Space group: P b c m
Cell volume: 399.5
Cell parameters: 4.8866; 8.531; 9.582; 90; 90; 90;  

COD ID: 1001342
CIF file Formula: - Mo2 O12 P3 Tl -
Comments: Leclaire, A; Monier, J C; Raveau, B Tl Mo~2~^IV^ P~3~ O~12~: A Molybdenophosphate with a Tunnel Structure Journal of Solid State Chemistry 59 (1985) 301-305
Space group: P b c m
Cell volume: 1004.9
Cell parameters: 8.836; 9.255; 12.288; 90; 90; 90;  

COD ID: 1001350
CIF file Formula: - Mo2 O12 P3 Rb -
Comments: Leclaire, A; Raveau, B Small atomic displacements in the molybdenophosphates A Mo~2~ P~3~ O~12~ (A = K, Rb, Tl). Acta Crystallographica C (39,1983-) 44 (1988) 226-229
Space group: P b c m
Cell volume: 1003.8
Cell parameters: 8.8314; 9.2368; 12.3051; 90; 90; 90;  

COD ID: 1001393
CIF file Formula: - K Mo O12 P3 W -
Comments: Benmoussa, A; Leclaire, A; Grandin, A; Raveau, B K Mo W P~3~ O~12~, a tunnel structure of the K Mo~2~ P~3~ O~12~ - type Acta Crystallographica C (39,1983-) 45 (1989) 1277-1279
Space group: P b c m
Cell volume: 1000
Cell parameters: 8.818; 9.1574; 12.3836; 90; 90; 90;  

COD ID: 1001426
CIF file Formula: - K0.75 Mo Nb O12 P3 -
Comments: Leclaire, A; Borel, M M; Grandin, A; Raveau, B Non-stoichiometry in the KMo~2~P~3~O~12~-tunnel structure: the oxide K~0.75~MoNbP~3~O~12~ Acta Crystallographica C (39,1983-) 46 (1990) 1381-1383
Space group: P b c m
Cell volume: 1013.3
Cell parameters: 8.8518; 9.1453; 12.5174; 90; 90; 90;  

COD ID: 1007245
CIF file Formula: - Co H4 N O9 P3 -
Comments: Tranqui, D; Grenier, J C; Durif, A; Guitel, J C Structure cristalline de la variete orthorhombique du metaphosphate de cobalt-ammonium: Co N H4 (P O3)3 Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 90 (1967) 252-256
Space group: P b c m
Cell volume: 794.4
Cell parameters: 5.142; 11.93; 12.95; 90; 90; 90;  

COD ID: 1100916
CIF file Formula: - Ag Nb O3 -
Comments: Fabry, Jan; Zikmund, Zdenek; Kania, Antoni; Petricek, Vaclav Structural study of AgNbO~3~ at room temperature Acta Crystallographica, Section C 56 (2000) 916-918
Space group: P b c m
Cell volume: 485.9
Cell parameters: 5.5462; 5.6028; 15.6365; 90; 90; 90;  

COD ID: 1503576
CIF file Formula: - C42 H48 N12 Ni2 O16 -
Comments: Pandey, Rampal; Gupta, Rakesh Kumar; Li, Pei-Zhou; Xu, Qiang; Misra, Arvind; Pandey, Daya Shankar Photoassisted "gate-lock" fluorescence "turn-on" in a new Schiff base and coordination ability of E-Z isomers. Organic letters 14(2) (2012) 592-595
Space group: P b c m
Cell volume: 4811.1
Cell parameters: 10.164; 15.148; 31.248; 90; 90; 90;  

COD ID: 1508376
CIF file Formula: - C10 H24 Cl5 Fe N2 O4 -
Comments: Bäcker, Tobias; Mudring, Anja-Verena Betaine Chloride-Betaine Tetrachloridoferrate(III). An Ionic Liquid Related Crystal Structure Governed by the Pearson Concept Crystals 2(1) (2012) 110-117
Space group: P b c m
Cell volume: 2069.2
Cell parameters: 6.2717; 12.841; 25.693; 90; 90; 90;  

COD ID: 1508543
CIF file Formula: - C20 H27 N O -
Comments: Markle, Todd F.; Tronic, Tristan A.; Dipasquale, Antonio G.; Kaminsky, Werner; Mayer, James M. Effect of basic site substituents on concerted proton-electron transfer in hydrogen-bonded pyridyl-phenols. The journal of physical chemistry. A 116(50) (2012) 12249-12259
Space group: P b c m
Cell volume: 1781
Cell parameters: 9.625; 26.794; 6.906; 90; 90; 90;  

COD ID: 1509314
CIF file Formula: - Ag Eu O4 Ti -
Comments: Sato, M.; Kurita, S.; Toda, K. Synthesis and ionic conductivity of novel layered perovskite compound, Ag La Ti O4 and Ag Eu Ti O4 Solid State Ionics 81 (1995) 267-271
Space group: P b c m
Cell volume: 357.872
Cell parameters: 12.8284; 5.2815; 5.282; 90; 90; 90;  

COD ID: 1510212
CIF file Formula: - Au La O3 -
Comments: Ralle, M.; Jansen, M. Synthesis and crystal structure determination of LaAuO3 Journal of Solid State Chemistry 105 (1993) 378-384
Space group: P b c m
Cell volume: 300.308
Cell parameters: 4.0335; 13.073; 5.6952; 90; 90; 90;  

COD ID: 1514104
CIF file Formula: - Mn3 O4 -
Comments: Kuznetsov, L. M.; Tsvigunov, A. N.; Brudina, K. P. Pressure diagram of manganese(II,III) oxide and crystal structure of the high pressure phase of delta-manganese(II,III) oxide Geokhimiya 1979 (1979) 254-260
Space group: P b c m
Cell volume: 282.84
Cell parameters: 3.026; 9.769; 9.568; 90; 90; 90;  

COD ID: 1514241
CIF file Formula: - Mn3 O4 -
Comments: Moritomo, Y.; Ohishi, Y.; Kuriki, A.; Nishibori, E.; Takata, M.; Sakata, M. High-pressure structural analysis of Mn3 O4 Journal of the Physical Society of Japan 72(3) (2003) 765-766
Space group: P b c m
Cell volume: 254.9
Cell parameters: 2.896; 9.5081; 9.2587; 90; 90; 90;  

COD ID: 1515831
CIF file Formula: - Bi Fe2 Mn O6 -
Comments: Yang, Tao; Abakumov, Artem M.; Hadermann, Joke; Van Tendeloo, Gustaaf; Nowik, Israel; Stephens, Peter W.; Hemberger, Joachim; Tsirlin, Alexander A.; Ramanujachary, Kandalam V.; Lofland, Samuel; Croft, Mark; Ignatov, Alexander; Sun, Junliang; Greenblatt, Martha BiMnFe2O6, a polysynthetically twinned hcp MO structure Chemical Science 1(6) (2010) 751
Space group: P b c m
Cell volume: 450.757
Cell parameters: 5.0359; 7.07342; 12.65425; 90; 90; 90;  

COD ID: 1517576
CIF file Formula: - C44 H28 Co2 N0 O21 -
Comments: Ling-Yan Pang; Ping Liu; Cui-Ping Zhang; Xin Chen; Bo Chen; Yao-Yu Wang; Qi-Zhen Shi Four cobalt(II) complexes constructed from a butterfly-shaped tetracarboxylic acid with N-donor ligands: Structures, magnetism and influence of coordination modes on dihedral angles Inorganica Chimica Acta 403 (2013) 43-52
Space group: P b c m
Cell volume: 6252.3
Cell parameters: 8.8721; 29.118; 24.202; 90; 90; 90;  

COD ID: 1519930
CIF file Formula: - C18 H26 Sn0.5 -
Comments: Sindlinger, Christian P.; Stasch, Andreas; Bettinger, Holger F.; Wesemann, Lars A nitrogen-base catalyzed generation of organotin(ii) hydride from an organotin trihydride under reductive dihydrogen elimination Chem. Sci. 6(8) (2015) 4737
Space group: P b c m
Cell volume: 3315.96
Cell parameters: 10.9013; 12.0601; 25.222; 90; 90; 90;  

COD ID: 1520823
CIF file Formula: - F Tl -
Comments: Berastegui, P.; Hull, S. The crystal structures of thallium(I) fluoride Journal of Solid State Chemistry 150 (2000) 266-275
Space group: P b c m
Cell volume: 173.403
Cell parameters: 6.09556; 5.4886; 5.183; 90; 90; 90;  

COD ID: 1521468
CIF file Formula: - Ca Nb2 O4 -
Comments: Kumada, N.; Kinomiura, N. Preparation and crystal structure of a new reduced calcium niobium oxide: Ca Nb2 O4 Journal of Solid State Chemistry 147 (1999) 671-675
Space group: P b c m
Cell volume: 351.291
Cell parameters: 5.054; 11.904; 5.839; 90; 90; 90;  

COD ID: 1522154
CIF file Formula: - O4 Pr2 Si Te -
Comments: Weber, F.A.; Schleid, T. Zwei Formen (A- und B-Typ) von Pr2 Te (Si O4) Zeitschrift fuer Anorganische und Allgemeine Chemie 625 (1999) 2071-2076
Space group: P b c m
Cell volume: 516.508
Cell parameters: 6.337; 7.2442; 11.2513; 90; 90; 90;  

COD ID: 1522450
CIF file Formula: - Ga Hf -
Comments: Markiv, V.Ya.; Belyavina, N.N. The crystal structure of Hf Ga and of Hf3 Cr2 Si4 Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki 1986 (1986) 44-48
Space group: P b c m
Cell volume: 440.437
Cell parameters: 9.171; 8.503; 5.648; 90; 90; 90;  

COD ID: 1522452
CIF file Formula: - Ga6 V0.72 Zr5.28 -
Comments: Markiv, V.Ya.; Belyavina, N.N. The crystal structures of Hf Ga and Hf3 Cr2 Si4 Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki 1986 (1986) 44-48
Space group: P b c m
Cell volume: 447.303
Cell parameters: 9.25; 8.577; 5.638; 90; 90; 90;  

COD ID: 1524377
CIF file Formula: - In Th -
Comments: Fornasini, M.L.; Palenzona, A.; Manfrinetti, P. Crystal structure of the new thorium intermetallics Th In and Th6 Cd7 Journal of Solid State Chemistry 51 (1984) 135-140
Space group: P b c m
Cell volume: 701.31
Cell parameters: 10.806; 9.954; 6.52; 90; 90; 90;  

COD ID: 1525959
CIF file Formula: - O9 P3 Tl Zn -
Comments: El Abiad, A.; Gravereau, P.; Es-Sakhi, B.; Mesnaoui, M.; Belharouak, I.; Maazaz, M.; Parent, C.; Wallez, G.; le Flem, G. The structure and luminescent properties of Tl Zn (P O3)3 Journal of Solid State Chemistry 154 (2000) 584-590
Space group: P b c m
Cell volume: 789.703
Cell parameters: 5.1192; 11.8822; 12.9827; 90; 90; 90;  

COD ID: 1526473
CIF file Formula: - K O4 Sm Ti -
Comments: Schaak, R.E.; Mallouk, T.E. K Ln Ti O4 (Ln = La, Nd, Sm, Eu, Gd, Dy): a new series of Ruddlesden-Popper phases synthesized by ion-exchange of H Ln Ti O4 Journal of Solid State Chemistry 161 (2001) 225-232
Space group: P b c m
Cell volume: 384.472
Cell parameters: 13.0982; 5.4115; 5.4242; 90; 90; 90;  

COD ID: 1526475
CIF file Formula: - Eu K O4 Ti -
Comments: Schaak, R.E.; Mallouk, T.E. K Ln Ti O4 (Ln = La, Nd, Sm, Eu, Gd, Dy): a new series of Ruddlesden-Popper phases synthesized by ion-exchange of H Ln Ti O4 Journal of Solid State Chemistry 161 (2001) 225-232
Space group: P b c m
Cell volume: 381.469
Cell parameters: 13.0045; 5.4116; 5.4205; 90; 90; 90;  

COD ID: 1526477
CIF file Formula: - Gd K O4 Ti -
Comments: Schaak, R.E.; Mallouk, T.E. K Ln Ti O4 (Ln = La, Nd, Sm, Eu, Gd, Dy): a new series of Ruddlesden-Popper phases synthesized by ion-exchange of H Ln Ti O4 Journal of Solid State Chemistry 161 (2001) 225-232
Space group: P b c m
Cell volume: 380.598
Cell parameters: 12.9564; 5.417; 5.4228; 90; 90; 90;  

COD ID: 1526479
CIF file Formula: - Dy K O4 Ti -
Comments: Schaak, R.E.; Mallouk, T.E. K Ln Ti O4 (Ln = La, Nd, Sm, Eu, Gd, Dy): a new series of Ruddlesden-Popper phases synthesized by ion-exchange of H Ln Ti O4 Journal of Solid State Chemistry 161 (2001) 225-232
Space group: P b c m
Cell volume: 377.721
Cell parameters: 12.8102; 5.4303; 5.4299; 90; 90; 90;  

COD ID: 1526769
CIF file Formula: - Cs2 H4 Mo7 O42 U6 -
Comments: Krivovichev, S.V.; Burns, P.C. Crystal chemistry of uranyl molybdates. IV. The structures of M2 ((U O2)6 (Mo O4)7 (H2 O)2) (M = Cs, N H4) Canadian Mineralogist 39 (2001) 207-214
Space group: P b c m
Cell volume: 3881.56
Cell parameters: 13.99; 10.808; 25.671; 90; 90; 90;  

COD ID: 1527014
CIF file Formula: - Nd2 O4 Si Te -
Comments: Yang, Y.-T.; Ibers, J.A. Accidental silicon-containing compounds: crystal structures of La3 Al0.44 Si0.93 S7, Ba Sm4 (Si O4)3 Se, and monoclinic and orthorhombic Ln2 (Si O4) Te (Ln = Nd and Sm) Journal of Solid State Chemistry 155 (2000) 433-440
Space group: P b c m
Cell volume: 504.121
Cell parameters: 6.279; 7.189; 11.168; 90; 90; 90;  

COD ID: 1527015
CIF file Formula: - O4 Si Sm2 Te -
Comments: Yang, Y.-T.; Ibers, J.A. Accidental silicon-containing compounds: crystal structures of La3 Al0.44 Si0.93 S7, Ba Sm4 (Si O4)3 Se, and monoclinic and orthorhombic Ln2 (Si O4) Te (Ln = Nd and Sm) Journal of Solid State Chemistry 155 (2000) 433-440
Space group: P b c m
Cell volume: 487.07
Cell parameters: 6.201; 7.091; 11.077; 90; 90; 90;  

COD ID: 1527326
CIF file Formula: - F5 K Te -
Comments: Edwards, A.J.; Mouty, M.A. Fluoride crystal structures. Part V. Potassium pentafluorotellurate(IV) Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971) 1969 (1969) 703-706
Space group: P b c m
Cell volume: 487.025
Cell parameters: 4.72; 9.18; 11.24; 90; 90; 90;  

COD ID: 1527491
CIF file Formula: - K O3 V -
Comments: Hawthorne, F.C.; Calvo, C. The crystal chemistry of the M(+) V O3 (M(+) = Li, Na, K, N H4, Tl, Rb, and Cs) pyroxenes Journal of Solid State Chemistry 22 (1977) 157-170
Space group: P b c m
Cell volume: 317.34
Cell parameters: 5.176; 10.794; 5.68; 90; 90; 90;  

COD ID: 1527492
CIF file Formula: - O3 Rb V -
Comments: Hawthorne, F.C.; Calvo, C. The crystal chemistry of the M(+) V O3 (M(+) = Li, Na, K, N H4, Tl, Rb, and Cs) pyroxenes Journal of Solid State Chemistry 22 (1977) 157-170
Space group: P b c m
Cell volume: 343.511
Cell parameters: 5.261; 11.425; 5.715; 90; 90; 90;  

COD ID: 1527493
CIF file Formula: - Cs O3 V -
Comments: Hawthorne, F.C.; Calvo, C. The crystal chemistry of the M(+) V O3 (M(+) = Li, Na, K, N H4, Tl, Rb, and Cs) pyroxenes Journal of Solid State Chemistry 22 (1977) 157-170
Space group: P b c m
Cell volume: 382.217
Cell parameters: 5.393; 12.249; 5.786; 90; 90; 90;  

COD ID: 1527744
CIF file Formula: - Nb2 O8 W -
Comments: Lundberg, M. The crystal structure of Nb2 W O8 Acta Chemica Scandinavica (1-27,1973-42,1988) 26 (1972) 2932-2940
Space group: P b c m
Cell volume: 1156.99
Cell parameters: 3.949; 17.622; 16.626; 90; 90; 90;  

COD ID: 1527909
CIF file Formula: - Th Tl -
Comments: Palenzona, A.; Canepa, F.; Cirafici, S. The Th-Tl phase diagram and the alloying properties of thorium with the group 3B elements Journal of the Less-Common Metals 114 (1985) 311-316
Space group: P b c m
Cell volume: 701.066
Cell parameters: 10.77; 9.932; 6.554; 90; 90; 90;  

COD ID: 1528267
CIF file Formula: - Br5 P -
Comments: van Driel, M.; MacGillavry, C.H. The crystal structure of phosphorus pentabromide Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 62 (1943) 167-171
Space group: P b c m
Cell volume: 787.834
Cell parameters: 5.62; 16.91; 8.29; 90; 90; 90;  

COD ID: 1529624
CIF file Formula: - Ca Cr H4 O6 -
Comments: Ben Amor, M.; Louer, M.; le Marouille, J.Y. Cristallochimie. - Determination de la structure cristalline du chromate de calcium dihydrate beta Ca Cr O4 (H2 O)2 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 294 (1982) 725-728
Space group: P b c m
Cell volume: 1000.77
Cell parameters: 5.595; 15.715; 11.382; 90; 90; 90;  

COD ID: 1531331
CIF file Formula: - Ho2 O4 S Si -
Comments: Hartenbach, I.; Meier, S.F.; Wontcheu, J.; Schleid, T. Ho2 O (Si O4) und Ho2 S (Si O4): zwei Chalkogenid-Derivate von Holmium(III)-ortho-Oxosilicat Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 2907-2913
Space group: P b c m
Cell volume: 445.467
Cell parameters: 6.0587; 6.9041; 10.6495; 90; 90; 90;  

COD ID: 1531624
CIF file Formula: - Cs3 Fe0.44 Nb5.56 O16 -
Comments: Kumada, N.; Hosokawa, Y.; Takei, T.; Kinomura, N. Preparation and crystal structure of new cesium iron niobium oxide : Cs3 Fe0.44 Nb5.56 O16 Materials Research Bulletin 37 (2002) 775-781
Space group: P b c m
Cell volume: 1676.65
Cell parameters: 10.47; 7.514; 21.312; 90; 90; 90;  

COD ID: 1531909
CIF file Formula: - Ag B10 Cs H10 -
Comments: Malinina, E.A.; Lisovskii, M.V.; Polyakova, I.N.; Zhizhin, K.Yu.; Kuznetsov, N.T. Silver(I) and copper(I) complexes with the closo-decaborate anion (B10 H10)(2-) as ligand Zhurnal Neorganicheskoi Khimii 47 (2002) 1275-1284
Space group: P b c m
Cell volume: 976.232
Cell parameters: 9.89; 10.84; 9.106; 90; 90; 90;  

COD ID: 1532386
CIF file Formula: - Ba0.47 Cu N Sr0.53 -
Comments: Yamane, H.; Sasaki, S.; Kajiwara, T.; Kubota, S.; Shimada, M. Synthesis and crystal structure analysis of Sr8 Cu3 In4 N5 and Sr0.53 Ba0.47 Cu N Journal of Solid State Chemistry 170 (2003) 265-272
Space group: P b c m
Cell volume: 458.689
Cell parameters: 5.4763; 9.2274; 9.0772; 90; 90; 90;  

COD ID: 1532422
CIF file Formula: - H6 Mg3 O12 S2 -
Comments: Yue Tao; Gao Shiyang; Yu Kaibei; Xia Shuping; Zhi Li-Xia Crystal growth and crystal structure of magnesium oxysulfate 2(Mg S O4) * (Mg (O H)2) * 2(H2 O) Journal of Molecular Structure 616 (2002) 247-252
Space group: P b c m
Cell volume: 898.891
Cell parameters: 7.177; 9.804; 12.775; 90; 90; 90;  

COD ID: 1532938
CIF file Formula: - Ge2 Ru2 Sm3 -
Comments: Morozkin, A.V.; Seropegin, Yu.D. Sm - Ru - Ge system at 1070 K Journal of Alloys Compd. 365 (2004) 168-172
Space group: P b c m
Cell volume: 595.333
Cell parameters: 5.62; 7.808; 13.567; 90; 90; 90;  

COD ID: 1532966
CIF file Formula: - In3 La5 O3 S9 -
Comments: Kabbour, H.; Cario, L.; Moelo, Y.; Meerschaut, A. Synthesis, X-ray and optical characterizations of two new oxysulfides: La In S2 O and La5 In3 S9 O3 Journal of Solid State Chemistry 177 (2004) 1053-1059
Space group: P b c m
Cell volume: 1763.55
Cell parameters: 4.1018; 26.833; 16.023; 90; 90; 90;  

COD ID: 1534191
CIF file Formula: - K O13 Ta5 -
Comments: Awadalla, A.A.; Gatehouse, B.M. Crystal structure of some niobium and tantalum oxides. IV. The structure of K Ta5 O13 and its relationship to the alpha Pb O2 structure Journal of Solid State Chemistry 24 (1978) 183-187
Space group: P b c m
Cell volume: 1016.88
Cell parameters: 5.653; 10.708; 16.799; 90; 90; 90;  

COD ID: 1534216
CIF file Formula: - C H N2 Na -
Comments: Barker, M.G.; Harper, A.; Hubberstey, P. Alkali metal salts of cyanamide: crystal and anion structure of the monosodium salt of cyanamide Journal of Chemical Research (Synopsis) 1978 (1978) 432-433
Space group: P b c m
Cell volume: 237.22
Cell parameters: 3.531; 10.358; 6.486; 90; 90; 90;  

COD ID: 1534603
CIF file Formula: - Cs F6 Ge0.5 Na Sn0.5 -
Comments: Antokhina, T.F.; Gerasimenko, A.V.; Kaidalova, T.A.; Lysun, T.V. Synthesis and structure of fluorocomplexes of group IV with heteroatomic cation and anion grid Zhurnal Neorganicheskoi Khimii 38 (1993) 491-495
Space group: P b c m
Cell volume: 597.783
Cell parameters: 6.541; 10.991; 8.315; 90; 90; 90;  

COD ID: 1534729
CIF file Formula: - Cs H O3.5 V -
Comments: Avtamonova, N.V.; Trunov, V.K. The crystal structure of cesium metavanadate hemihydrate Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 32 (1991) 171-173
Space group: P b c m
Cell volume: 937.495
Cell parameters: 5.774; 18.233; 8.905; 90; 90; 90;  

COD ID: 1534860
CIF file Formula: - As Na5 O5 -
Comments: Haas, H.; Jansen, M. Synthese und Charakterisierung von Na5 As O5 Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 1013-1016
Space group: P b c m
Cell volume: 629.338
Cell parameters: 5.96394; 16.43335; 6.42132; 90; 90; 90;  

COD ID: 1534874
CIF file Formula: - Ce Ni Sb3 -
Comments: Macaluso, R.T.; Chan, J.Y.; Sykora, R.E.; Albrecht-Schmitt, T.E.; Wells, D.M.; Nakatsuji, S.; Fisk, Z.; Mar, A.; Lee, H. Structure and electrical resistivity of Ce Ni Sb3 Journal of Solid State Chemistry 177 (2004) 293-298
Space group: P b c m
Cell volume: 1439.78
Cell parameters: 12.634; 6.2037; 18.3698; 90; 90; 90;  

COD ID: 1534879
CIF file Formula: - Cl6 Te6 Zr -
Comments: Baumann, A.; Beck, J. Synthesis and crystal structure if Te6 (M Cl6) (M = Zr, Hf), containing a polymeric chalcogen cation (Te6(2+))n Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 2078-2082
Space group: P b c m
Cell volume: 1574.42
Cell parameters: 10.954; 10.8519; 13.2447; 90; 90; 90;  

COD ID: 1534883
CIF file Formula: - Cl6 Hf Te6 -
Comments: Baumann, A.; Beck, J. Synthesis and crystal structure if Te6 (M Cl6) (M = Zr, Hf), containing a polymeric chalcogen cation (Te6(2+))n Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 2078-2082
Space group: P b c m
Cell volume: 1575.82
Cell parameters: 10.9479; 10.8631; 13.2502; 90; 90; 90;  

COD ID: 1534978
CIF file Formula: - As2 Cl3 Hg3 Tl -
Comments: Beck, J.; Neisel, U. Polykationische Hg-Pnictid-Gerueste mit einer neuen Fuellungsvariante in den Strukturen von Hg3 As2 Tl Cl3 und Hg3 Sb2 Tl Br3 Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 2016-2022
Space group: P b c m
Cell volume: 951.052
Cell parameters: 6.292; 12.341; 12.248; 90; 90; 90;  

COD ID: 1534981
CIF file Formula: - Br3 Hg3 Sb2 Tl -
Comments: Beck, J.; Neisel, U. Polykationische Hg-Pnictid-Gerueste mit einer neuen Fuellungsvariante in den Strukturen von Hg3 As2 Tl Cl3 und Hg3 Sb2 Tl Br3 Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 2016-2022
Space group: P b c m
Cell volume: 1132.87
Cell parameters: 6.61; 13.112; 13.071; 90; 90; 90;  

COD ID: 1534996
CIF file Formula: - H11 N O9 S1.5 V -
Comments: Manos, M.J.; Miras, H.N.; Woollins, J.D.; Tangoulis, V.; Slawin, A.M.Z.; Kabanos, T.A. Polyoxovanadium(IV) sulfite compounds: synthesis, structural and physical studies Angew. Chem. Int. ed. 42 (2003) 425-427
Space group: P b c m
Cell volume: 1769.25
Cell parameters: 7.068; 12.536; 19.968; 90; 90; 90;  

COD ID: 1535138
CIF file Formula: - H6 Mn3 O12 S2 -
Comments: Ben Salah, M.; Vilminot, S.; Kurmoo, M.; Bouree-Vigneron, F.; Richard-Plouet, M.; Gilles, A.; Mhiri, T. Synthesis, nuclear, and magnetic structures and magnetic properties of (Mn3 (O H)2 (S O4)2 (H2 O)2) Chemistry - A European Journal 10 (2004) 2048-2057
Space group: P b c m
Cell volume: 961.257
Cell parameters: 7.2852; 9.9568; 13.2519; 90; 90; 90;  

COD ID: 1535204
CIF file Formula: - C8 B2 Hg2 N8 -
Comments: Berkei, M.; Willner, H.; Bernhardt, E.; Schuermann, M.; Mehring, M. Darstellung, spektroskopische Charakterisierung und Kristallstrukturen von Quecksilber(II)-bis(tetracyanoborat) Hg (B (C N)4)2 und Diquecksilber(I)-bis(tetracyanoborat) Hg2 (B (C N)4)2 Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 1734-1740
Space group: P b c m
Cell volume: 1389.61
Cell parameters: 5.689; 32.809; 7.445; 90; 90; 90;  

COD ID: 1535217
CIF file Formula: - Cu Se6 Sm3 -
Comments: Strobel, S.; Schleid, T. Cu Sm3 Se4 (Se2): a new ternary copper(I) rare-earth(III) selenide with mono- and diselenide units Journal of Solid State Chemistry 171 (2003) 424-428
Space group: P b c m
Cell volume: 939.98
Cell parameters: 7.0953; 7.8391; 16.8998; 90; 90; 90;  

COD ID: 1535312
CIF file Formula: - H4 N O3 V -
Comments: Synecek, V.; Hanic, P. The crystal structure of ammonium metavanadate Czechoslovak Journal of Physics 4 (1954) 120-130
Space group: P b c m
Cell volume: 340.203
Cell parameters: 4.92; 11.82; 5.85; 90; 90; 90;  

COD ID: 1535470
CIF file Formula: - N5 Nb Sr5 -
Comments: Hoehn, P.; Kniep, R. Sr5 (Nb N4) N - A nitridoniobate(V) nitride containing isolated (Nb N4)(7-) tetrahedra and octahedral chains (1 infty) (Sr4 Sr2/2 N)(7+) Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 463-467
Space group: P b c m
Cell volume: 845.86
Cell parameters: 6.466; 17.925; 7.298; 90; 90; 90;  

COD ID: 1535697
CIF file Formula: - H80 K72 O316 U56.82 -
Comments: Burns, P.C.; Fryer, B.J.; Sigmon, G.; Kubatko, K.A.; Soderholm, L.; Gagnon, J.E.; Antonio, M.R. Actinyl Peroxide Nanospheres Angew. Chem. Int. ed. 44 (2005) 2135-2139
Space group: P b c m
Cell volume: 18341.6
Cell parameters: 19.2609; 33.813; 28.1628; 90; 90; 90;  

COD ID: 1535718
CIF file Formula: - Cu La1.76 O3.92 Sr0.24 -
Comments: Muradyan, L.A.; Bagdasarov, Kh.S.; Kevorkov, A.M.; Tamazyan, R.A.; Simonov, V.I. Atomic structures of (La1-x Srx)2 Cu O4 with various strontium content Kristallografiya 35 (1990) 861-868
Space group: P b c m
Cell volume: 376.941
Cell parameters: 13.167; 5.363; 5.338; 90; 90; 90;  

COD ID: 1535722
CIF file Formula: - Cu La1.8 O4 Sr0.2 -
Comments: Muradyan, L.A.; Tamazyan, R.A.; Kevorkov, A.M.; Bagdasarov, Kh.S.; Simonov, V.I. Atomic structures of (La1-x Srx)2 Cu O4 with various strontium content Kristallografiya 35 (1990) 861-868
Space group: P b c m
Cell volume: 378.421
Cell parameters: 13.194; 5.363; 5.348; 90; 90; 90;  

COD ID: 1535833
CIF file Formula: - C2 K N3 -
Comments: Irran, E.; Juergens, B.; Schnick, W. Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry Chemistry - A European Journal 7 (2001) 5372-5381
Space group: P b c m
Cell volume: 390.307
Cell parameters: 8.36518; 6.46898; 7.21266; 90; 90; 90;  

COD ID: 1535848
CIF file Formula: - C2 N3 Rb -
Comments: Irran, E.; Juergens, B.; Schnick, W. Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry Chemistry - A European Journal 7 (2001) 5372-5381
Space group: P b c m
Cell volume: 433.399
Cell parameters: 8.56092; 6.61711; 7.65067; 90; 90; 90;  

COD ID: 1536001
CIF file Formula: - Br2 Cu2 P8 Se3 -
Comments: Nilges, S.; Nilges, T.; Pfitzner, A.; Haeuseler, H. (Cu Br)2 P8 Se3: preparation, structural, and vibrational sprectroscopic characterization of an adduct of P8 Se3 cages to Cu2 Br2 rhombs Journal of Molecular Structure 706 (2004) 89-94
Space group: P b c m
Cell volume: 1451.7
Cell parameters: 8.761; 11.957; 13.858; 90; 90; 90;  

COD ID: 1536385
CIF file Formula: - Co2 H2 Hg2 O11 S2 -
Comments: Weil, M. Preparation and crystal structure analyses of compounds in the systems Hg O/M X O4/H2 O (M= Co, Zn, Cd; X = S, Se) Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 921-927
Space group: P b c m
Cell volume: 895.61
Cell parameters: 6.1297; 11.268; 12.9668; 90; 90; 90;  

COD ID: 1536388
CIF file Formula: - H2 Hg2 O11 S2 Zn2 -
Comments: Weil, M. Preparation and crystal structure analyses of compounds in the systems Hg O/M X O4/H2 O (M = Co, Zn, Cd; X = S, Se) Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 921-927
Space group: P b c m
Cell volume: 894.776
Cell parameters: 6.1323; 11.2609; 12.9574; 90; 90; 90;  

COD ID: 1536391
CIF file Formula: - H2 Hg2 O11 Se2 Zn2 -
Comments: Weil, M. Preparation and crystal structure analyses of compounds in the systems Hg O/M X O4/H2 O (M = Co, Zn, Cd; X = S, Se) Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 921-927
Space group: P b c m
Cell volume: 947.963
Cell parameters: 6.1967; 11.4481; 13.3628; 90; 90; 90;  

COD ID: 1537014
CIF file Formula: - Cl6 Cs3 Nd -
Comments: Reuter, G.; Frenzen, G. The thermal dehydration of Cs3 Ln Cl6.3 (H2 O) to Cs3 Ln Cl6 (Ln= La-Nd) and their crystal structures Journal of Solid State Chemistry 116 (1995) 329-334
Space group: P b c m
Cell volume: 2927.72
Cell parameters: 8.282; 13.225; 26.73; 90; 90; 90;  

COD ID: 1537201
CIF file Formula: - F4 K2 O4 S Zr -
Comments: Kuznetsov, V.Ya.; Rogachev, D.L.; Godneva, M.M. Crystallographic characteristics of several sulfate and fluorosulfate zirconium compounds Zhurnal Neorganicheskoi Khimii 39 (1994) 211-218
Space group: P b c m
Cell volume: 720.18
Cell parameters: 7.091; 13.803; 7.358; 90; 90; 90;  

COD ID: 1537513
CIF file Formula: - Mo O8 P2 -
Comments: Kierkegaard, P. On the crystal structure of Mo O2 (P O3)2 Arkiv foer Kemi 18 (1961) 521-532
Space group: P b c m
Cell volume: 278.937
Cell parameters: 7.683; 7.426; 4.889; 90; 90; 90;  

COD ID: 1541183
CIF file Formula: - Mn3 O4 -
Comments: Ross, C.R.; Rubie, D.C.; Paris, E. Rietveld refinement of the high-pressure polymorph of Mn3 O4 American Mineralogist 75 (1990) 1249-1252
Space group: P b c m
Cell volume: 283.194
Cell parameters: 3.024; 9.7996; 9.5564; 90; 90; 90;  

COD ID: 1541507
CIF file Formula: - C32 H150 Cl2 Co12 K36 O43 Se55 Sn13 -
Comments: Melullis, M.; Zimmermann, C.; Dehnen, S.; Anson, C.E. (K36 (mue6-Cl)2 (H2 O)11 (Me O H)32) (Sn Se4) (Co4 (mue4-Se) (Sn Se4)4)3 : synthesis and crystal structure of a novel compound containing ternary (Co4 (mue4-Se) (Sn Se4)4)(10-) anions and a novel ((mue6-Cl)2 K9)(7+) coordination aggregate Zeitschrift fuer Anorganische und Allgemeine Chemie 629 (2003) 2325-2329
Space group: P b c m
Cell volume: 22494.9
Cell parameters: 18.7122; 20.9653; 57.34; 90; 90; 90;  

COD ID: 1542860
CIF file Formula: - C44 H40 Ag2 N12 O8 -
Comments: Jiang, Ji-Jun; He, Jian-Rong; Lü, Xing-Qiang; Wang, Da-Wei; Li, Guo-Bi; Su, Cheng-Yong Structural disorder and transformation in crystal growth: direct observation of ring-opening isomerization in a metal‒organic solid solution IUCrJ 1(5) (2014) 318-327
Space group: P b c m
Cell volume: 11716
Cell parameters: 12.6641; 26.23; 35.269; 90; 90; 90;  

COD ID: 1544430
CIF file Formula: - Eu Li O4 Ti -
Comments: Toda, K.; Kurita, S.; Sato, M. New layered perovskite compounds, LiLa2TiO4 and LiEuTiO4 Journal of the Ceramic Society of Japan 104 (1996) 140-142
Space group: P b c m
Cell volume: 327.23
Cell parameters: 11.4155; 5.355; 5.353; 90; 90; 90;  

COD ID: 1544711
CIF file Formula: - C29 H25 Cl F6 Fe N5 P -
Comments: Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities Faraday Discuss. (2016)
Space group: P b c m
Cell volume: 3203.5
Cell parameters: 8.9422; 17.1851; 20.8463; 90; 90; 90;  

COD ID: 1544712
CIF file Formula: - C29 H25 Cl F6 N5 P Ru -
Comments: Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities Faraday Discuss. (2016)
Space group: P b c m
Cell volume: 3235.6
Cell parameters: 8.9368; 17.315; 20.91; 90; 90; 90;  

COD ID: 1544713
CIF file Formula: - C29 H25 Cl F6 N5 Os P -
Comments: Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities Faraday Discuss. (2016)
Space group: P b c m
Cell volume: 3265.9
Cell parameters: 8.978; 17.366; 20.947; 90; 90; 90;  

COD ID: 1545064
CIF file Formula: - Hf O2 -
Comments: Suyama, R.; Horiuchi, H.; Kume, S. Structural refinements of ZrO2 and HfO2 treated at 600 C * 6 GPa Yogyo-Kyokai-Shi 95 (1987) 567-568
Space group: P b c m
Cell volume: 132.399
Cell parameters: 5.0073; 5.2276; 5.058; 90; 90; 90;  

COD ID: 1545065
CIF file Formula: - O2 Zr -
Comments: Suyama, R.; Horiuchi, H.; Kume, S. Structural refinements of ZrO2 and HfO2 treated at 600 C * 6 GPa Yogyo-Kyokai-Shi 95 (1987) 567-568
Space group: P b c m
Cell volume: 134.592
Cell parameters: 5.0367; 5.2546; 5.0855; 90; 90; 90;  

COD ID: 1547549
CIF file Formula: - C38 H55 Si2 Y -
Comments: Laur, Eva; Louyriac, Elisa; Dorcet, Vincent; Welle, Alexandre; Vantomme, Aurélien; Miserque, Olivier; Brusson, Jean-Michel; Maron, Laurent; Carpentier, Jean-François; Kirillov, Evgueni Substitution Effects in Highly Syndioselective Styrene Polymerization Catalysts Based on Single-Component Allyl ansa-Lanthanidocenes: An Experimental and Theoretical Study Macromolecules 50(17) (2017) 6539
Space group: P b c m
Cell volume: 3668.9
Cell parameters: 9.5747; 17.4837; 21.917; 90; 90; 90;  

COD ID: 1548315
CIF file Formula: - C20 H126 K14 Mo34 O148 S24 -
Comments: Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine Nature Communications 5 (2014) 3715
Space group: P b c m
Cell volume: 20816
Cell parameters: 26.515; 44.264; 17.7362; 90; 90; 90;  

COD ID: 1548887
CIF file Formula: - C26 H27 Ba F6 Fe N3 O12.5 S2 -
Comments: Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y. Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials. Chemical science 9(9) (2018) 2567-2574
Space group: P b c m
Cell volume: 7500.8
Cell parameters: 9.5075; 27.3543; 28.8412; 90; 90; 90;  

COD ID: 1548904
CIF file Formula: - C27 H32 B2 N Na O5 -
Comments: Zhang, Li; Jiao, Lei Super electron donors derived from diboron. Chemical science 9(10) (2018) 2711-2722
Space group: P b c m
Cell volume: 2902.8
Cell parameters: 14.245; 17.905; 11.3809; 90; 90; 90;  

COD ID: 1549340
CIF file

HKL data

Original IUCr paper

Formula: - C11 H6 F5 N O -
Comments: Zhao, Hui 3-Difluoromethyl-5-[4-(trifluoromethyl)phenyl]isoxazole IUCrData 3(4) (2018) x180445
Space group: P b c m
Cell volume: 1049.3
Cell parameters: 13.1081; 11.1491; 7.1798; 90; 90; 90;  

COD ID: 1549724
CIF file Formula: - C15 H9 F7.05 -
Comments: Font, Marc; Spencer, Andrew R. A.; Larrosa, Igor <i>meta</i>-C-H arylation of fluoroarenes <i>via</i> traceless directing group relay strategy. Chemical science 9(35) (2018) 7133-7137
Space group: P b c m
Cell volume: 13314.2
Cell parameters: 12.069; 30.5791; 36.076; 90; 90; 90;  

COD ID: 1549780
CIF file

HKL data

Original IUCr paper

Formula: - H4 N O3 V -
Comments: Pérez-Benítez, Aarón; Bernès, Sylvain Redetermination of ammonium metavanadate IUCrData 3(8) (2018)
Space group: P b c m
Cell volume: 336.84
Cell parameters: 4.9045; 11.7945; 5.8231; 90; 90; 90;  

COD ID: 1550356
CIF file

HKL data

Original IUCr paper

Formula: - C11 H11 N O2 -
Comments: Furuya, Tetsundo; Yagi, Shiomi; Yamazaki, Shu; Haraguchi, Tomoyuki; Akitsu, Takashiro; Mahesha, Ninganayaka; Sagar, Belakavadi K.; Yathirajan, Hemmige S. Methyl 1-methyl-1<i>H</i>-indole-3-carboxylate IUCrData 3(12) (2018) x181728
Space group: P b c m
Cell volume: 933.5
Cell parameters: 8.3019; 16.628; 6.7622; 90; 90; 90;  

COD ID: 1550915
CIF file Formula: - C36.25 H63.5 B F4 N9.5 O4 S20 Sn10 -
Comments: Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles Chemical Science (2019)
Space group: P b c m
Cell volume: 20032
Cell parameters: 17.727; 35.611; 31.733; 90; 90; 90;  

COD ID: 1551111
CIF file Formula: - C16 H28 Co N6 S4 -
Comments: A. A. Bagabasa; M. Alsawalha; M. Sohail; S. Alhoshan; R. Arasheed Synthesis, crystal structure, and characterization of cyclohexylammonium tetraisothiocyanatocobaltate(II): A single-source precursor for cobalt sulfide and oxide nanostructures Heliyon 5 (2019) e01139
Space group: P b c m
Cell volume: 2408.2
Cell parameters: 8.5881; 24.4244; 11.4808; 90; 90; 90;  

COD ID: 1552739
CIF file Formula: - C36 H32 S2 Si2 -
Comments: Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L. Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives. The journal of physical chemistry. A 123(35) (2019) 7558
Space group: P b c m
Cell volume: 3107.2
Cell parameters: 5.936; 17.1042; 30.6034; 90; 90; 90;  

COD ID: 1554648
CIF file Formula: - C4 H14 Br3 N3 O -
Comments: Li, Kai; Dong, Li-Yuan; Xu, Hao-Xiang; Qin, Yan; Li, Zhi-Gang; Azeem, Muhammad; Li, Wei; Bu, Xian-He Electronic structures and elastic properties of a family of metal-free perovskites Materials Chemistry Frontiers 3(8) (2019) 1678
Space group: P b c m
Cell volume: 1172.68
Cell parameters: 6.70475; 13.3306; 13.1204; 90; 90; 90;  

COD ID: 1554649
CIF file Formula: - C4 H14 I3 N3 O -
Comments: Li, Kai; Dong, Li-Yuan; Xu, Hao-Xiang; Qin, Yan; Li, Zhi-Gang; Azeem, Muhammad; Li, Wei; Bu, Xian-He Electronic structures and elastic properties of a family of metal-free perovskites Materials Chemistry Frontiers 3(8) (2019) 1678
Space group: P b c m
Cell volume: 1361.9
Cell parameters: 7.064; 14.089; 13.684; 90; 90; 90;  

COD ID: 1556964
CIF file Formula: - C12 H14 N2 O22 Pb4 -
Comments: Svensson, Goran; Olson, Solveig; Albertsson, Jorgen Coordination Between Lead and Oxydiacetic Acid Acta Chemica Scandinavica 52 (1998) 868-872
Space group: P b c m
Cell volume: 2685.3
Cell parameters: 9.309; 8.4023; 34.331; 90; 90; 90;  

COD ID: 1558138
CIF file Formula: - C36 H46 Au Mn N2 O6 -
Comments: Ponduru, Tharun Teja; Wang, Guocang; Manoj, Sai; Pan, Sudip; Zhao, Lili; Frenking, Gernot; Dias, H. V. Rasika Synthesis and characterization of heterometallic complexes involving coinage metals and isoelectronic Fe(CO)<sub>5</sub>, [Mn(CO)<sub>5</sub>]<sup>-</sup> and [Fe(CO)<sub>4</sub>CN]<sup>-</sup> ligands. Dalton transactions (Cambridge, England : 2003) 49(25) (2020) 8566-8581
Space group: P b c m
Cell volume: 3602.7
Cell parameters: 8.6463; 19.4473; 21.4257; 90; 90; 90;  

COD ID: 1558140
CIF file Formula: - C36 H46 Ag Mn N2 O6 -
Comments: Ponduru, Tharun Teja; Wang, Guocang; Manoj, Sai; Pan, Sudip; Zhao, Lili; Frenking, Gernot; Dias, H. V. Rasika Synthesis and characterization of heterometallic complexes involving coinage metals and isoelectronic Fe(CO)<sub>5</sub>, [Mn(CO)<sub>5</sub>]<sup>-</sup> and [Fe(CO)<sub>4</sub>CN]<sup>-</sup> ligands. Dalton transactions (Cambridge, England : 2003) 49(25) (2020) 8566-8581
Space group: P b c m
Cell volume: 3624.8
Cell parameters: 8.6971; 19.4845; 21.3902; 90; 90; 90;  

COD ID: 1559156
CIF file Formula: - C12.5 H12 Fe N10 O0.5 Pt -
Comments: Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science (2020)
Space group: P b c m
Cell volume: 3422.6
Cell parameters: 14.8631; 32.144; 7.1639; 90; 90; 90;  

COD ID: 1559159
CIF file Formula: - C12.5 H12 Fe N10 O0.5 Pd -
Comments: Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science (2020)
Space group: P b c m
Cell volume: 3419
Cell parameters: 14.9105; 32.0213; 7.161; 90; 90; 90;  

COD ID: 1559163
CIF file Formula: - C12.5 H11.75 Fe N10 O0.5 Pt -
Comments: Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science (2020)
Space group: P b c m
Cell volume: 3601.3
Cell parameters: 14.9943; 32.6263; 7.3615; 90; 90; 90;  

COD ID: 1559165
CIF file Formula: - C12.5 H12 Fe N10 O0.5 Pd -
Comments: Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science (2020)
Space group: P b c m
Cell volume: 3589.9
Cell parameters: 15.0184; 32.5156; 7.3514; 90; 90; 90;  

COD ID: 1559839
CIF file Formula: - B2 Li Nd O6 Rb2 -
Comments: Chen, Pengyun; Xia, Mingjun; Li, Rukang Mixed Alkali Neodymium Orthoborates: K9 Li3 Nd3 (BO3 )7 and A 2 LiNd(BO3 )2 (A = Rb, Cs) Zeitschrift für anorganische und allgemeine Chemie 642(5) (2016) 424-430
Space group: P b c m
Cell volume: 698.6
Cell parameters: 7.113; 9.691; 10.135; 90; 90; 90;  

COD ID: 1559840
CIF file Formula: - B2 Cs2 Li Nd O6 -
Comments: Chen, Pengyun; Xia, Mingjun; Li, Rukang Mixed Alkali Neodymium Orthoborates: K9 Li3 Nd3 (BO3 )7 and A 2 LiNd(BO3 )2 (A = Rb, Cs) Zeitschrift für anorganische und allgemeine Chemie 642(5) (2016) 424-430
Space group: P b c m
Cell volume: 742.44
Cell parameters: 7.2113; 9.9621; 10.3347; 90; 90; 90;  

COD ID: 1560694
CIF file Formula: - C4 H3 N O2 S -
Comments: Meundaeng, Natthaya; Rujiwatra, Apinpus; Prior, Timothy J. Copper coordination polymers constructed from thiazole-5-carboxylic acid: Synthesis, crystal structures, and structural transformation Journal of Solid State Chemistry 245 (2017) 138-145
Space group: P b c m
Cell volume: 524.5
Cell parameters: 6.78; 12.082; 6.403; 90; 90; 90;  

COD ID: 1561365
CIF file Formula: - C23 H15 N3 O5 Zn -
Comments: Jin, Jun-Cheng; Guo, Rui-Li; Zhang, Wen-Yan; Jiang, Chen; Wang, Yao-Yu Luminescent microporous metal‒organic framework with functional Lewis basic sites on the pore surface: Quantifiable evaluation of luminescent sensing mechanisms towards Fe3+ Journal of Solid State Chemistry 243 (2016) 253-258
Space group: P b c m
Cell volume: 2604.7
Cell parameters: 9.6199; 14.7172; 18.3974; 90; 90; 90;  

COD ID: 1561619
CIF file Formula: - Er3 Se8 U -
Comments: Prakash, Jai; Mesbah, Adel; Beard, Jessica C.; Malliakas, Christos D.; Ibers, James A. Syntheses, crystal structures, and resistivities of the two new ternary uranium selenides, Er3USe8 and Yb3USe8 Journal of Solid State Chemistry 233 (2016) 90-94
Space group: P b c m
Cell volume: 290.362
Cell parameters: 7.036; 7.5483; 5.4672; 90; 90; 90;  

COD ID: 1561620
CIF file Formula: - Se8 U Yb3 -
Comments: Prakash, Jai; Mesbah, Adel; Beard, Jessica C.; Malliakas, Christos D.; Ibers, James A. Syntheses, crystal structures, and resistivities of the two new ternary uranium selenides, Er3USe8 and Yb3USe8 Journal of Solid State Chemistry 233 (2016) 90-94
Space group: P b c m
Cell volume: 287.575
Cell parameters: 6.9937; 7.4807; 5.4967; 90; 90; 90;  

COD ID: 1561842
CIF file Formula: - C36 H45 Cl12 I2 N7 -
Comments: Pinter, Piermaria; Schuesslbauer, Christoph; Watt, Fabian A.; Dickmann, Nicole; Herbst-Irmer, Regine; Morgenstern, Bernd; Gruenwald, Annette; Ullrich, Tobias; Zimmer, Michael; Hohloch, Stephan; Guldi, Dirk M.; Munz, Dominik Bright Luminescent Lithium and Magnesium Carbene Complexes Chemical Science (2021)
Space group: P b c m
Cell volume: 4714.1
Cell parameters: 12.486; 27.199; 13.881; 90; 90; 90;  

COD ID: 1562622
CIF file Formula: - C5 H14 B3 F12 K N2 -
Comments: Chen, Xiao-Xian; Zhang, X. Y.; Liu, De-Xuan; Huang, Rui-Kang; Wang, Sha-Sha; Xiong, Li-Qun; Zhang, Wei-Xiong; Chen, Xiao-Ming Room-temperature ferroelectric and ferroelastic orders coexisting in a new tetrafluoroborate-based perovskite Chemical Science (2021)
Space group: P b c m
Cell volume: 1438.25
Cell parameters: 10.5005; 9.7685; 14.0216; 90; 90; 90;  

COD ID: 1563184
CIF file Formula: - Pd2 Sn2 Yb3 -
Comments: Solokha, P.; Čurlik, I.; Giovannini, M.; Lee-Hone, N.R.; Reiffers, M.; Ryan, D.H.; Saccone, A. Structural and physical properties of the new intermetallic compound Yb3Pd2Sn2 Journal of Solid State Chemistry 184(9) (2011) 2498-2505
Space group: P b c m
Cell volume: 1361.24
Cell parameters: 5.8264; 16.8397; 13.8739; 90; 90; 90;  

COD ID: 1564858
CIF file Formula: - C9 H21 Cl2 F6 Mo N3 O P -
Comments: Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes Inorganica Chimica Acta 507 (2020) 119599
Space group: P b c m
Cell volume: 1780.7
Cell parameters: 7.2769; 14.884; 16.441; 90; 90; 90;  

COD ID: 1567756
CIF file Formula: - C66.95 H108.34 N0.52 O21.95 V6 -
Comments: Cooney, Shannon E.; Fertig, Alex A.; Buisch, Madeleine R.; Brennessel, William W.; Matson, Ellen M. Coordination-induced bond weakening of water at the surface of an oxygen-deficient polyoxovanadate cluster. Chemical science 13(43) (2022) 12726-12737
Space group: P b c m
Cell volume: 7577.77
Cell parameters: 14.4807; 27.8595; 18.7836; 90; 90; 90;  

COD ID: 1568701
CIF file Formula: - C5 H7 Br N2 -
Comments: Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains. Materials horizons 10(6) (2023) 2149-2159
Space group: P b c m
Cell volume: 660.13
Cell parameters: 4.0674; 16.0311; 10.1239; 90; 90; 90;  

COD ID: 1571400
CIF file Formula: - C6 H5.5 N0.5 O -
Comments: Ye, Xingchen; Pan, Huaijin; Huang, Yong; Chen, Jiean; Wang, Zhaofeng Photochemical three-component assembly of tri-substituted oxazoles through a carbenic phosphorus-nitrile hybrid ylide formation/trapping cascade. Chemical science 15(17) (2024) 6515-6521
Space group: P b c m
Cell volume: 1047.3
Cell parameters: 9.2665; 16.7883; 6.7319; 90; 90; 90;  

COD ID: 2000322
CIF file

Original IUCr paper

Formula: - La2 O4 Se Si -
Comments: Brennan, T. D.; Ibers, J. A. Lanthanum orthosilicate selenide, La~2~SeSiO~4~ Acta Crystallographica Section C 47(5) (1991) 1062-1064
Space group: P b c m
Cell volume: 512.7
Cell parameters: 6.279; 7.306; 11.177; 90; 90; 90;  

COD ID: 2000688
CIF file

Original IUCr paper

Formula: - C53 H68 O5 -
Comments: Armah, A. E.; Suzuki, K.; Fujii, S.; Tomita, K.; Asfari, Z.; Vicens, J. Structure of <i>p</i>-<i>tert</i>-butylbishomooxacalix[4]arene-<i>m</i>-xylene (1:1) complex Acta Crystallographica Section C 48(8) (1992) 1474-1476
Space group: P b c m
Cell volume: 4681.4
Cell parameters: 9.328; 19.348; 25.939; 90; 90; 90;  

COD ID: 2001382
CIF file

Original IUCr paper

Formula: - C20 H44 Cu2 I4 N8 O2 -
Comments: Flörke, U.; Haupt, H.-J.; Karpenstein, I.; Chaudhuri, P. Ring cleavage of imidazole to oxamide by reaction with dioxygen in the presence of a Cu^I^‒amine complex. Structure of μ-oxamidato-bis[(1,4,7-trimethyl-1,4,7-triazacyclononane)copper(II)] triiodide iodide Acta Crystallographica Section C 49(9) (1993) 1625-1627
Space group: P b c m
Cell volume: 3341.9
Cell parameters: 7.851; 15.851; 26.854; 90; 90; 90;  

COD ID: 2002170
CIF file Formula: - Cl7 Re3 Se7 -
Comments: Beck, J; Mueller-Buschbaum, K Synthese und Kristallstrukturen der Rhenium-Dreieckscluster Re3E7X7 (E=S,Se; X=Cl,Br) Zeitschrift fuer Anorganische und Allgemeine Chemie 625 (1999) 1212-1216
Space group: P b c m
Cell volume: 1710.3
Cell parameters: 11.897; 14.168; 10.147; 90; 90; 90;  

COD ID: 2004207
CIF file

Original IUCr paper

Formula: - C12 H18 O5 -
Comments: Lalancette, R. A.; Thompson, H. W.; Coté, M. L. <i>cis</i>-2-Oxo-1,3-cyclohexanedipropionic Acid: Structure and Hydrogen-Bonding Pattern of a δ-Keto 1,9-Diacid Acta Crystallographica Section C 51(12) (1995) 2617-2619
Space group: P b c m
Cell volume: 1272.1
Cell parameters: 4.663; 13.275; 20.551; 90; 90; 90;  

COD ID: 2004749
CIF file

Original IUCr paper

Formula: - C11 H13 N O4 -
Comments: Feeder, N.; Jones, W. Structures of Four <i>p</i>-Amidoperbenzoic Acids Acta Crystallographica Section C 52(4) (1996) 919-923
Space group: P b c m
Cell volume: 1069.9
Cell parameters: 10.75; 14.477; 6.875; 90; 90; 90;  

COD ID: 2005564
CIF file

Original IUCr paper

Formula: - C8 H17 Cu N3 O4 -
Comments: Pajunen, A.; Pajunen, S.; Kivikoski, J.; Valkonen, J. <i>catena</i>-Poly[[(diethylenetriamine-<i>N</i>,<i>N</i>',<i>N</i>'')copper(II)]-μ-succinato-<i>O</i>,<i>O</i>':<i>O</i>''] Acta Crystallographica Section C 52(11) (1996) 2689-2691
Space group: P b c m
Cell volume: 1124.2
Cell parameters: 8.021; 16.864; 8.311; 90; 90; 90;  

COD ID: 2006585
CIF file

Original IUCr paper

Formula: - C10 H11 Cl3 Ti -
Comments: Gallucci, Judith C.; Kozmina, Natasha; Paquette, Leo A.; Zaegel, Florence; Meunier, Philippe; Gautheron, Bernard <i>endo</i> and <i>exo</i> Isomers of Isodicyclopentadienyltrichlorotitanium Acta Crystallographica Section C 53(10) (1997) 1416-1420
Space group: P b c m
Cell volume: 1161.4
Cell parameters: 9.134; 12.328; 10.314; 90; 90; 90;  

COD ID: 2009042
CIF file

Original IUCr paper

Formula: - C21 H34 Ag Cl O7 S4 -
Comments: Suenaga, Yusaku; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Munakata, Megumu A linear-chain silver(I) coordination polymer with tetrakis(isopropylthio)-<i>p</i>-benzoquinone Acta Crystallographica Section C 55(10) (1999) 1623-1625
Space group: P b c m
Cell volume: 2987.9
Cell parameters: 8.668; 18.944; 18.196; 90; 90; 90;  

COD ID: 2009194
CIF file

HKL data

Original IUCr paper

Formula: - C27 H31 Br N2 O6 S -
Comments: Yin-Han Zhang; Suchada Chantrapromma; S. Shanmuga Sundara Raj; Hoong-Kun Fun; Yu-Peng Tian; Fu-Xin Xie; Zu-Yao Chen 11-Carboxylatomethyl-15-carboxymethyl-11,15-diazonia-3,23-dioxa-28-thiatetracyclo[23.2.1.0^4,9^.0^17,22^]octacosa-4,6,8,17,19,21,25,27-octaene bromide Acta Crystallographica Section C 55(11) (1999) 1839-1841
Space group: P b c m
Cell volume: 2676.76
Cell parameters: 10.9776; 14.0734; 17.3262; 90; 90; 90;  

COD ID: 2011882
CIF file

Original IUCr paper

Formula: - Ca Mn2 O4 -
Comments: Giesber, Henry G.; Pennington, William T.; Kolis, Joseph W. Redetermination of CaMn~2~O~4~ Acta Crystallographica Section C 57(4) (2001) 329-330
Space group: P b c m
Cell volume: 304.9
Cell parameters: 3.1546; 9.988; 9.6769; 90; 90; 90;  

COD ID: 2013491
CIF file

HKL data

Original IUCr paper

Formula: - C10 H12 O8 -
Comments: Akira Uchida; Masatoshi Hasegawa; Hiroshi Manami <i>cis</i>,<i>cis</i>,<i>cis</i>-1,2,4,5-Cyclohexanetetracarboxylic acid and its dianhydride Acta Crystallographica Section C 59(8) (2003) o435-o438
Space group: P b c m
Cell volume: 1108.4
Cell parameters: 5.9425; 12.436; 14.999; 90; 90; 90;  

COD ID: 2013543
CIF file

HKL data

Original IUCr paper

Formula: - C5 H6 Cl N3 O2 -
Comments: Natalya Fridman; Moshe Kapon; Menahem Kaftory 2-Chloro-4,6-dimethoxy-1,3,5-triazine Acta Crystallographica Section C 59(12) (2003) o685-o686
Space group: P b c m
Cell volume: 754.6
Cell parameters: 7.743; 14.94; 6.523; 90; 90; 90;  

COD ID: 2013730
CIF file

HKL data

Original IUCr paper

Formula: - C2 H4 N4 S -
Comments: Natalya Fridman; Moshe Kapon; Menahem Kaftory Two dimorphs of 5-methylsulfanyl-1<i>H</i>-tetrazole Acta Crystallographica Section C 60(1) (2004) o47-o49
Space group: P b c m
Cell volume: 506.61
Cell parameters: 7.714; 9.833; 6.679; 90; 90; 90;  

COD ID: 2014530
CIF file

HKL data

Original IUCr paper

Formula: - Ce2 O4 Si Te -
Comments: Deng, Bin; Yao, Ji-Yong; Ibers, James A. Dicerium orthosilicate selenide and dicerium orthosilicate telluride, Ce~2~(SiO~4~)<i>Q</i> (<i>Q</i> = Se or Te) Acta Crystallographica Section C 60(11) (2004) i110-i112
Space group: P b c m
Cell volume: 522.45
Cell parameters: 6.3647; 7.2807; 11.2743; 90; 90; 90;  

COD ID: 2014531
CIF file

HKL data

Original IUCr paper

Formula: - Ce2 O4 Se Si -
Comments: Deng, Bin; Yao, Ji-Yong; Ibers, James A. Dicerium orthosilicate selenide and dicerium orthosilicate telluride, Ce~2~(SiO~4~)<i>Q</i> (<i>Q</i> = Se or Te) Acta Crystallographica Section C 60(11) (2004) i110-i112
Space group: P b c m
Cell volume: 498.77
Cell parameters: 6.225; 7.2354; 11.0739; 90; 90; 90;  

COD ID: 2015264
CIF file

HKL data

Original IUCr paper

Formula: - C3 H10 Cl2 N2 Pt -
Comments: Odoko, Mamiko; Okabe, Nobuo Dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')platinum(II), dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')palladium(II) and μ-4,9-diazadodecane-1,12-diamine-κ^2^<i>N</i>^1^,<i>N</i>^4^:κ^2^<i>N</i>^9^,<i>N</i>^12^-bis[dichloroplatinum(II)] Acta Crystallographica Section C 62(4) (2006) m136-m139
Space group: P b c m
Cell volume: 789.4
Cell parameters: 8.36; 7.292; 12.95; 90; 90; 90;  

COD ID: 2015265
CIF file

HKL data

Original IUCr paper

Formula: - C3 H10 Cl2 N2 Pd -
Comments: Odoko, Mamiko; Okabe, Nobuo Dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')platinum(II), dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')palladium(II) and μ-4,9-diazadodecane-1,12-diamine-κ^2^<i>N</i>^1^,<i>N</i>^4^:κ^2^<i>N</i>^9^,<i>N</i>^12^-bis[dichloroplatinum(II)] Acta Crystallographica Section C 62(4) (2006) m136-m139
Space group: P b c m
Cell volume: 774.1
Cell parameters: 8.386; 7.167; 12.88; 90; 90; 90;  

COD ID: 2016407
CIF file

HKL data

Original IUCr paper

Formula: - C2 H11 As Na O4.5 -
Comments: Lennartson, Anders; Håkansson, Mikael Investigation of commercial sodium cacodylate trihydrate: penta-μ-aqua-disodium(I) bis(dimethylarsenate) and di-μ-aqua-bis[triaquasodium(I)] bis(dimethylarsenate) Acta Crystallographica Section C 64(1) (2008) m13-m16
Space group: P b c m
Cell volume: 1575.2
Cell parameters: 6.1299; 10.7515; 23.901; 90; 90; 90;  

COD ID: 2017101
CIF file

HKL data

Original IUCr paper

Formula: - Li2 O14 P4 Zn3 -
Comments: Ji, Lina; Ma, Hongwei; Liang, Jingkui Lithium zincopyrophosphate, Li~2~Zn~3~(P~2~O~7~)~2~ Acta Crystallographica Section C 65(5) (2009) i30-i32
Space group: P b c m
Cell volume: 1098.48
Cell parameters: 5.1733; 13.1797; 16.1108; 90; 90; 90;  

COD ID: 2017940
CIF file

HKL data

Original IUCr paper

Formula: - Al Cs O16 P4 Zr2 -
Comments: Zhao, Dan; Li, Fei-Fei; Zhang, Ai-Yun; Yang, Lei; Zhu, Rui CsAlZr~2~(PO~4~)~4~: an anhydrous aluminium zirconium phosphate with a novel three-dimensional framework Acta Crystallographica Section C 67(1) (2011) i4-i6
Space group: P b c m
Cell volume: 1477.9
Cell parameters: 8.742; 9.403; 17.979; 90; 90; 90;  

COD ID: 2018034
CIF file

HKL data

Original IUCr paper

Formula: - C4 H12 As Cl9 Ti2 -
Comments: Thomas, Tegan; Pugh, David; Parkin, Ivan P.; Carmalt, Claire J. Novel ion pairs obtained from the reaction of titanium(IV) halides with simple arsane ligands Acta Crystallographica Section C 67(4) (2011) m96-m99
Space group: P b c m
Cell volume: 1812
Cell parameters: 9.7061; 17.855; 10.4555; 90; 90; 90;  

COD ID: 2018425
CIF file

HKL data

Original IUCr paper

Formula: - C18 H25 Cl2 Mo2 N7 O5 -
Comments: Gago, Sandra; Gomes, Ana C.; Cunha-Silva, Luís; Pillinger, Martyn; Gonçalves, Isabel S.; Almeida Paz, Filipe A. A novel dinuclear Mo^VI^ complex with tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane Acta Crystallographica Section C 68(3) (2012) m73-m75
Space group: P b c m
Cell volume: 2538.7
Cell parameters: 8.6346; 21.6152; 13.6021; 90; 90; 90;  

COD ID: 2018750
CIF file

Original IUCr paper

Formula: - C14 H17 N O5 -
Comments: Ilangovan, Andivelu; Venkatesan, Perumal; Ganesh Kumar, Rajendran Hydrogen bonding due to regioisomerism and its effect on the supramolecular architecture of diethyl 2-[(2/4-hydroxyanilino)methylidene]malonates Acta Crystallographica Section C 69(1) (2013) 70-73
Space group: P b c m
Cell volume: 1453.54
Cell parameters: 11.3011; 19.276; 6.6725; 90; 90; 90;  

COD ID: 2018761
CIF file

HKL data

Original IUCr paper

Formula: - C H13 Mo2 N3 O13 -
Comments: Takehara, Masaki; Hashimoto, Masato Potassium, rubidium and ammonium salts of μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido-bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)] Acta Crystallographica Section C 69(1) (2013) 37-40
Space group: P b c m
Cell volume: 1189.3
Cell parameters: 6.091; 11.622; 16.8; 90; 90; 90;  

COD ID: 2018873
CIF file Formula: - B3 Cl O10 Pb6 -
Comments: Behm, H. Hexalead Chloride Triorthoborate Oxide, Pb4 O (Pb2 (B O3)3 Cl) Acta Crystallographica C (39,1983-) 39 (1983) 1317-1319
Space group: P b c m
Cell volume: 1323.96
Cell parameters: 7.021; 17.218; 10.952; 90; 90; 90;  

COD ID: 2019897
CIF file

HKL data

Original IUCr paper

Formula: - C9 H13 N3 O4 -
Comments: Odiase, Isaac; Nicholson, Catherine E.; Ahmad, Ruksanna; Cooper, Jerry; Yufit, Dmitry S.; Cooper, Sharon J. Three cocrystals and a cocrystal salt of pyrimidin-2-amine and glutaric acid Acta Crystallographica Section C 71(4) (2015)
Space group: P b c m
Cell volume: 1072.57
Cell parameters: 4.1667; 12.6657; 20.3238; 90; 90; 90;  

COD ID: 2020051
CIF file

HKL data

Original IUCr paper

Formula: - C6 H18 Cl Co N6 O4 -
Comments: Guzei, Ilia A.; Arderne, Charmaine Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride Acta Crystallographica Section C 71(8) (2015)
Space group: P b c m
Cell volume: 1244.8
Cell parameters: 8.4892; 12.1555; 12.0631; 90; 90; 90;  

COD ID: 2020063
CIF file

HKL data

Original IUCr paper

Formula: - C15 H15 Cd N11 -
Comments: Wang, Hui-Ting; Zhou, Lin; Wang, Xiao-Li A two-dimensional anionic Cd^II^ polymer constructed through dicyanamide coordination bridges Acta Crystallographica Section C 71(8) (2015)
Space group: P b c m
Cell volume: 1954.6
Cell parameters: 7.7042; 14.457; 17.549; 90; 90; 90;  

COD ID: 2020315
CIF file

HKL data

Original IUCr paper

Formula: - C10 H13 Co Cu N8 O -
Comments: Qin, Ying-Lian; Yao, Chen-Zhong; Yang, Bin-Wu; Qin, Jian-Fang; Gong, Qiao-Juan Synthesis, crystal structure and magnetic properties of a two-dimensional cyanide-based heterometallic coordination polymer with cationic piperazinium ligands: poly[aquatetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-dicyanido-κ^2^<i>C</i>-(piperazinium-κ<i>N</i>^4^)cobalt(III)copper(II)] Acta Crystallographica Section C 72(1) (2016) 21-27
Space group: P b c m
Cell volume: 1472.58
Cell parameters: 7.2703; 14.6512; 13.8246; 90; 90; 90;  

COD ID: 2020990
CIF file

HKL data

Original IUCr paper

Formula: - C16 H16 Cl N3 -
Comments: Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime A series of (<i>E</i>)-5-(arylideneamino)-1-<i>tert</i>-butyl-1<i>H</i>-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies Acta Crystallographica Section C 74(1) (2018) 82-93
Space group: P b c m
Cell volume: 1493.6
Cell parameters: 8.8317; 24.261; 6.9706; 90; 90; 90;  

COD ID: 2102807
CIF file

Original IUCr paper

Formula: - Br5 Cs2 Eu H20 O10 -
Comments: Ehrenberg, Helmut; Fuess, Hartmut; Hesse, Sabine; Zimmermann, Joerg; von Seggern, Heinz; Knapp, Michael Structures of CsEuBr~3~ and its degradation product Cs~2~EuBr~5~·10H~2~O Acta Crystallographica Section B 63(2) (2007) 201-204
Space group: P b c m
Cell volume: 2203.1
Cell parameters: 8.047; 13.998; 19.558; 90; 90; 90;  

COD ID: 2103143
CIF file

Original IUCr paper

Formula: - C10.77 H8 N0.77 S8.77 -
Comments: Kazheva, Olga N.; Canadell, Enric; Aleksandrov, Grigorii G.; Kushch, Nataliya D.; Dyachenko, Oleg A. Quasi-three-dimensional network of molecular interactions and electronic structure of a new organic semiconductor, ET(NCS)~0.77~ Acta Crystallographica Section B 58(1) (2002) 148-152
Space group: P b c m
Cell volume: 1587.1
Cell parameters: 6.638; 8.309; 28.776; 90; 90; 90;  

COD ID: 2104984
CIF file

HKL data

Original IUCr paper

Formula: - C34 H15 F20 O4 Ta -
Comments: Cole, Jacqueline M.; Chan, Michael C. W.; Gibson, Vernon C.; Howard, Judith A. K. Effects of the [OC~6~F~5~] moiety upon structural geometry: crystal structures of half-sandwich tantalum(V) aryloxide complexes from reaction of Cp*Ta(N^<i>t^</i>Bu)(CH~2~<i>R</i>)~2~ with pentafluorophenol Acta Crystallographica Section B 67(5) (2011) 416-424
Space group: P b c m
Cell volume: 3333.6
Cell parameters: 8.341; 26.389; 15.145; 90; 90; 90;  

COD ID: 2106954
CIF file Formula: - S Ta2 -
Comments: Franzen, H.F.; Smeggil, J.G. The Crystal Structure of Ta2 S Acta Crystallographica B (24,1968-38,1982) 25 (1969) 1736-1741
Space group: P b c m
Cell volume: 624.773
Cell parameters: 7.379; 5.574; 15.19; 90; 90; 90;  

COD ID: 2107249
CIF file Formula: - Fe3 O4 -
Comments: Iizumi, M.; Koetzle, T.F.; Chikazumi, S.; Shirane, G.; Matsui, M.; Todo, S. Structure of magnetite (Fe3 O4) below the Verwey transition temperature Acta Crystallographica B (24,1968-38,1982) 38 (1982) 2121-2133
Space group: P b c m
Cell volume: 2356.13
Cell parameters: 11.868; 11.851; 16.752; 90; 90; 90;  

COD ID: 2200409
CIF file

HKL data

Original IUCr paper

Formula: - C26 H24 Cd2 Cl2 N4 O9 -
Comments: Odoko, Mamiko; Isomoto, Noriko; Okabe, Nobuo Di-μ-chloro-bis[(2-pyridinecarboxylato-<i>N,O</i>)(2-pyridinecarboxylic acid-<i>N,O</i>)cadmium(II)] ethanol solvate Acta Crystallographica Section E 57(8) (2001) m371-m372
Space group: P b c m
Cell volume: 3156.4
Cell parameters: 9.891; 15.443; 20.664; 90; 90; 90;  

COD ID: 2203316
CIF file Formula: - Cl H Hg O4 -
Comments: Göbbels, Dirk; Wickleder, Mathias S. Redetermination of mercury(II) hydroxide chlorate(V) Acta Crystallographica, Section E 60(3) (2004) i40-i41
Space group: P b c m
Cell volume: 380.67
Cell parameters: 4.6375; 11.4064; 7.1965; 90; 90; 90;  

COD ID: 2208465
CIF file

HKL data

Original IUCr paper

Formula: - C7 H9 N3 O4 Zn -
Comments: Xiang, Jing; Lin, Xiang-Cheng Diammine[pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^]zinc(II) Acta Crystallographica Section E 62(3) (2006) m593-m594
Space group: P b c m
Cell volume: 961.37
Cell parameters: 10.4696; 12.6989; 7.2309; 90; 90; 90;  

COD ID: 2208501
CIF file

HKL data

Original IUCr paper

Formula: - La Pd Sb3 -
Comments: Thomas, Evan Lyle; Gautreaux, Dixie P.; Chan, Julia Y. The layered intermetallic compound LaPdSb~3~ Acta Crystallographica Section E 62(4) (2006) i96-i98
Space group: P b c m
Cell volume: 1025.04
Cell parameters: 12.921; 6.345; 12.503; 90; 90; 90;  

COD ID: 2210125
CIF file

HKL data

Original IUCr paper

Formula: - C12 H13 Cl N4 O8 -
Comments: Bao, Feng; Chen, Ying; Ng, Seik Weng A cocrystal of 3-nitrophenylanilinium perchlorate and 3-nitroaniline Acta Crystallographica Section E 62(9) (2006) o4186-o4187
Space group: P b c m
Cell volume: 1560.66
Cell parameters: 7.9181; 30.848; 6.3894; 90; 90; 90;  

COD ID: 2211616
CIF file

HKL data

Original IUCr paper

Formula: - C25 H23 Cu N5 O7 -
Comments: Guang-Bo Che; Zhan-Lin Xu; Ng, Seik Weng <i>catena</i>-Poly[[[aqua(pyrazino[2,3-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-isophthalato-κ^2^<i>O</i>:<i>O</i>'] <i>N</i>,<i>N</i>-dimethylformamide solvate monohydrate] Acta Crystallographica Section E 62(12) (2006) m3197-m3199
Space group: P b c m
Cell volume: 2392.9
Cell parameters: 7.237; 23.877; 13.848; 90; 90; 90;  

COD ID: 2213992
CIF file

HKL data

Original IUCr paper

Formula: - C10 H17 Er N2 O10 -
Comments: You, Xiu-Li; Wang, Li-Hua; Ng, Seik Weng Poly[hydronium [μ-(ethylenediaminetetraacetato-κ^8^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''':<i>O</i>'''',<i>O</i>''''')erbate(III)] monohydrate] Acta Crystallographica Section E 63(6) (2007) m1713-m1713
Space group: P b c m
Cell volume: 1555.46
Cell parameters: 6.5783; 12.8191; 18.4454; 90; 90; 90;  

COD ID: 2213993
CIF file

HKL data

Original IUCr paper

Formula: - C10 H17 Ho N2 O10 -
Comments: You, Xiu-Li; Wang, Li-Hua; Ng, Seik Weng Poly[hydronium [μ-(ethylenediaminetetraacetato-κ^8^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''':<i>O</i>'''',<i>O</i>''''')holmate(III)] monohydrate] Acta Crystallographica Section E 63(6) (2007) m1714-m1714
Space group: P b c m
Cell volume: 1560.18
Cell parameters: 6.5924; 12.845; 18.4246; 90; 90; 90;  

COD ID: 2214212
CIF file

HKL data

Original IUCr paper

Formula: - C10 H17 Dy N2 O10 -
Comments: You, Xiu-Li; Ng, Seik Weng Poly[hydronium [dysprosium(III)-μ~3~-(ethylenediaminetetraacetato-κ^8^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''':<i>O</i>'''':<i>O</i>''''')] monohydrate] Acta Crystallographica Section E 63(7) (2007) m1819-m1819
Space group: P b c m
Cell volume: 1588.66
Cell parameters: 6.6271; 12.9233; 18.5496; 90; 90; 90;  

COD ID: 2215816
CIF file

HKL data

Original IUCr paper

Formula: - C3 H15 N2 O7.5 P2 Zn -
Comments: Holtby, Andrew S.; Harrison, William T. A. 2-Hydroxypropane-1,3-diammonium bis(phosphonato)zincate(II) hemihydrate Acta Crystallographica Section E 63(11) (2007) m2779-m2779
Space group: P b c m
Cell volume: 1155.19
Cell parameters: 8.8554; 7.8466; 16.6251; 90; 90; 90;  

COD ID: 2218556
CIF file

HKL data

Original IUCr paper

Formula: - C H6 Cl N O -
Comments: Ng, Seik Weng <i>N</i>-Hydroxy-<i>N</i>-methylammonium chloride Acta Crystallographica Section E 64(6) (2008) o1059
Space group: P b c m
Cell volume: 409.69
Cell parameters: 7.8084; 8.7109; 6.0232; 90; 90; 90;  

COD ID: 2218957
CIF file

HKL data

Original IUCr paper

Formula: - C11 H11 N3 O5 -
Comments: Liu, Yong-Hong; Sun, Gui-You; Liu, Jian-Feng; Ye, Jun; Liu, Xiao-Lan Methyl 2-[(<i>E</i>)-(4-nitrophenyl)hydrazono]-3-oxobutyrate Acta Crystallographica Section E 64(8) (2008) o1608
Space group: P b c m
Cell volume: 1221.6
Cell parameters: 12.88; 14.299; 6.6328; 90; 90; 90;  

COD ID: 2219944
CIF file

HKL data

Original IUCr paper

Formula: - C6 H6 Cl N5 -
Comments: Dai, Jing; Wen, Xiao-Chun 2-(2<i>H</i>-Tetrazol-5-yl)pyridinium chloride Acta Crystallographica Section E 64(11) (2008) o2113
Space group: P b c m
Cell volume: 1634.3
Cell parameters: 16.375; 15.313; 6.5176; 90; 90; 90;  

COD ID: 2221679
CIF file

HKL data

Original IUCr paper

Formula: - C12 H14 N4 O8 S -
Comments: Feng, Lingling; Hou, Yubang; Yong, Xuejian; Bao, Feng Bis(3-nitroanilinium) sulfate Acta Crystallographica Section E 65(5) (2009) o1086
Space group: P b c m
Cell volume: 1561.1
Cell parameters: 7.9177; 30.843; 6.3924; 90; 90; 90;  

COD ID: 2223565
CIF file

HKL data

Original IUCr paper

Formula: - C8 H8 N4 -
Comments: Hu, Dong-Yue; Chu, Xiao-Wei; Qu, Zhi-Rong 5-<i>p</i>-Tolyl-1<i>H</i>-tetrazole Acta Crystallographica Section E 65(10) (2009) o2463
Space group: P b c m
Cell volume: 786.5
Cell parameters: 4.537; 17.729; 9.778; 90; 90; 90;  

COD ID: 2230161
CIF file

HKL data

Original IUCr paper

Formula: - C20 H18 Co F6 N6 P -
Comments: Yu, Fan; Li, Bao Dicyanido[tris(2-pyridylmethyl)amine]cobalt(III) hexafluoridophosphate Acta Crystallographica Section E 67(5) (2011) m566
Space group: P b c m
Cell volume: 2184.6
Cell parameters: 10.703; 13.472; 15.151; 90; 90; 90;  

COD ID: 2234612
CIF file

HKL data

Original IUCr paper

Formula: - C8 H5 F3 N2 -
Comments: Liu, Ming-Liang 2-Trifluoromethyl-1<i>H</i>-benzimidazole Acta Crystallographica Section E 68(5) (2012) o1518
Space group: P b c m
Cell volume: 1669.2
Cell parameters: 11.859; 7.2154; 19.508; 90; 90; 90;  

COD ID: 2235924
CIF file

HKL data

Original IUCr paper

Formula: - C21 H20 N2 O4 -
Comments: Xu, Wei; Qi, Jin-Li 4-[3-(Pyridin-4-yl)propyl]pyridinium 2-carboxybenzoate Acta Crystallographica Section E 68(8) (2012) o2319
Space group: P b c m
Cell volume: 1688.6
Cell parameters: 7.595; 12.822; 17.34; 90; 90; 90;  

COD ID: 2236516
CIF file

HKL data

Original IUCr paper

Formula: - C26 H22 Ag2 N6 O4 -
Comments: Zhang, Yongmei Poly[[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene](μ~4~-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.0^2,6^.0^8,12^]tetradec-13-ene-4,10-diido)disilver(I)] Acta Crystallographica Section E 68(10) (2012) m1289-m1290
Space group: P b c m
Cell volume: 2365
Cell parameters: 10.148; 11.0016; 21.183; 90; 90; 90;  

COD ID: 2236548
CIF file

HKL data

Original IUCr paper

Formula: - C6 H Cl6 N -
Comments: Zhu, Xue-mei; Pei, Li-jun; Cai, Zhao-sheng; Song, Zhan-qian; Shang, Shi-bin 2,3,6-Trichloro-5-(trichloromethyl)pyridine Acta Crystallographica Section E 68(9) (2012) o2723
Space group: P b c m
Cell volume: 1034.6
Cell parameters: 8.31; 17.018; 7.316; 90; 90; 90;  

COD ID: 2236765
CIF file

Original IUCr paper

Formula: - C10 H16 Cd I4 N4 O -
Comments: Sun, Qiaozhen; Liao, Songyi; Yao, Junjun; Wang, Junke; Fang, Qiongjiali Bis(4-aminopyridinium) tetraiodidocadmate monohydrate Acta Crystallographica Section E 68(9) (2012) m1160-m1161
Space group: P b c m
Cell volume: 2041.76
Cell parameters: 7.3987; 14.7348; 18.7286; 90; 90; 90;  

COD ID: 2238707
CIF file

Original IUCr paper

Formula: - H10 Na2 O8 Se -
Comments: Mereiter, Kurt Sodium selenite pentahydrate, Na~2~SeO~3~·5H~2~O Acta Crystallographica Section E 69(11) (2013) i77-i78
Space group: P b c m
Cell volume: 1676.7
Cell parameters: 6.5865; 17.2263; 14.7778; 90; 90; 90;  

COD ID: 2239273
CIF file

HKL data

Formula: - C6 H6 N2 O3 -
Comments: Peukert, Max; Seichter, Wilhelm; Weber, Edwin Redetermination of 2-methyl-4-nitropyridine <i>N</i>-oxide Acta Crystallographica Section E 70(4) (2014) o426-o427
Space group: P b c m
Cell volume: 667.44
Cell parameters: 8.6775; 12.4069; 6.1995; 90; 90; 90;  

COD ID: 2240237
CIF file

HKL data

Original IUCr paper

Formula: - C7 H8 N4 S -
Comments: El Fal, Mohammed; Ramli, Youssef; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen Crystal structure of 1-methyl-4-methylsulfanyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine Acta Crystallographica Section E 70(12) (2014) o1281
Space group: P b c m
Cell volume: 816.8
Cell parameters: 7.9309; 15.335; 6.7158; 90; 90; 90;  

COD ID: 2240994
CIF file

HKL data

Original IUCr paper

Formula: - C3 H6 N4 S -
Comments: Manjula, Padmanabha S.; Sarojini, Balladka K.; Yathirajan, Hemmige S.; Akkurt, Mehmet; Ersanlı, Cem Cüneyt; Glidewell, Christopher The crystal structures of three 3-methyl-1<i>H</i>-1,2,4-triazole-5-thiones, including a second polymorph of 4-[(<i>E</i>)-(5-bromo-2-hydroxybenzylidene)amino]-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione and a redetermination of 4-amino-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione Acta Crystallographica Section E 71(9) (2015) 1003-1009
Space group: P b c m
Cell volume: 569.95
Cell parameters: 8.8682; 9.823; 6.5427; 90; 90; 90;  

COD ID: 2242287
CIF file

Original IUCr paper

Formula: - C9 H15 K O3 -
Comments: Corfield, Peter W. R.; Kershaw, Richard A. Crystal structures of two bicyclo[5.1.0]octanes: potassium <i>trans</i>-bicyclo[5.1.0]octane-4-carboxylate monohydrate and <i>cis</i>-bicyclo[5.1.0]octan-4-yl 4-bromobenzenesulfonate Acta Crystallographica Section E 73(9) (2017) 1357-1362
Space group: P b c m
Cell volume: 1070
Cell parameters: 16.148; 8.631; 7.674; 90; 90; 90;  

COD ID: 2243048
CIF file

HKL data

Original IUCr paper

Formula: - C4 H11 Br2 Cs N2 -
Comments: Rickaby, Kirstie A.; Slawin, Alexandra M. Z.; Harrison, William T. A. Syntheses and structures of piperazin-1-ium <i>A</i>Br~2~ (<i>A</i> = Cs or Rb): hybrid solids containing `curtain wall' layers of face- and edge-sharing <i>A</i>Br~6~ trigonal prisms Acta Crystallographica Section E 75(8) (2019) 1249-1252
Space group: P b c m
Cell volume: 980.7
Cell parameters: 4.5787; 23.325; 9.1828; 90; 90; 90;  

COD ID: 2243049
CIF file

HKL data

Original IUCr paper

Formula: - C4 H11 Br2 N2 Rb -
Comments: Rickaby, Kirstie A.; Slawin, Alexandra M. Z.; Harrison, William T. A. Syntheses and structures of piperazin-1-ium <i>A</i>Br~2~ (<i>A</i> = Cs or Rb): hybrid solids containing `curtain wall' layers of face- and edge-sharing <i>A</i>Br~6~ trigonal prisms Acta Crystallographica Section E 75(8) (2019) 1249-1252
Space group: P b c m
Cell volume: 928.4
Cell parameters: 4.4675; 23.036; 9.021; 90; 90; 90;  

COD ID: 2243979
CIF file

HKL data

Original IUCr paper

Formula: - C9 H12 N5 P -
Comments: Purdy, Andrew P.; Butcher, Ray J.; Klug, Christopher A. The structures of 1:1 and 1:2 adducts of phosphanetricarbonitrile with 1,4-diazabicyclo[2.2.2]octane Acta Crystallographica Section E 77(12) (2021) 1190-1196
Space group: P b c m
Cell volume: 1102.81
Cell parameters: 6.0092; 13.6227; 13.4716; 90; 90; 90;  

COD ID: 2300462
CIF file

HKL data

Formula: - Ag5 Mg33 -
Comments: Samuha, Shmuel; Krimer, Yaakov; Meshi, Louisa Strategies for full structure solution of intermetallic compounds using precession electron diffraction zonal data Journal of Applied Crystallography 47(3) (2014) 1032-1041
Space group: P b c m
Cell volume: 2847.54
Cell parameters: 8.87; 16.48; 19.48; 90; 90; 90;  

COD ID: 2310181
CIF file Formula: - Hg7 K5 -
Comments: Duwell, E.J.; Baenziger, N.C. The crystal structure of K5 Hg7 Acta Crystallographica (1,1948-23,1967) 13 (1960) 476-479
Space group: P b c m
Cell volume: 1631.86
Cell parameters: 10.06; 19.45; 8.34; 90; 90; 90;  

COD ID: 2310369
CIF file Formula: - C H4 Cu N3 -
Comments: Cromer, D.T.; Roof, R.B.jr.; Larson, A.C. The Crystal Structure of the Copper(I) Cyanide Hydrazine Complex, Cu C N (N2 H4) Acta Crystallographica (1,1948-23,1967) 20 (1966) 279-282
Space group: P b c m
Cell volume: 336.39
Cell parameters: 4.684; 9.172; 7.83; 90; 90; 90;  

COD ID: 2310393
CIF file Formula: - Ca2 Cl Cr O4 -
Comments: Greenblatt, M.; Banks, E.; Post, B. The crystal structures of the spodiosite analogs, Ca2 Cr O4 Cl and Ca2 P O4 Cl Acta Crystallographica (1,1948-23,1967) 23 (1967) 166-171
Space group: P b c m
Cell volume: 490.034
Cell parameters: 6.259; 7.124; 10.99; 90; 90; 90;  

COD ID: 2310394
CIF file Formula: - Ca2 Cl O4 P -
Comments: Greenblatt, M.; Post, B.; Banks, E. The crystal structures of the spodiosite analogs, Ca2 Cr O4 Cl and Ca2 P O4 Cl Acta Crystallographica (1,1948-23,1967) 23 (1967) 166-171
Space group: P b c m
Cell volume: 467.141
Cell parameters: 6.185; 6.983; 10.816; 90; 90; 90;  

COD ID: 2310433
CIF file Formula: - O Pb -
Comments: Leciejewicz, J. Neutron-diffraction study of orthorhombic lead monoxide Acta Crystallographica (1,1948-23,1967) 14 (1961) 66-66
Space group: P b c m
Cell volume: 152.615
Cell parameters: 5.876; 5.476; 4.743; 90; 90; 90;  

COD ID: 2311040
CIF file Formula: - O Pb -
Comments: Kay, M.I. A neutron diffraction study of orthorhombic Pb O Acta Crystallographica (1,1948-23,1967) 14 (1961) 80-81
Space group: P b c m
Cell volume: 154.403
Cell parameters: 5.891; 5.489; 4.775; 90; 90; 90;  

COD ID: 3000167
CIF file Formula: - Al D5 Sr -
Comments: Sato, Toyoto; Takagi, Shigeyuki; Sorby, Magnus H.; Deledda, Stefano; Hauback, Bjorn C.; Orimo, Shin-ichi Crystal Structural Determination of SrAlD5 with Corner-sharing AlD6 Octahedron Chains by X-ray and Neutron Diffraction Crystals 8 (2018) 89
Space group: P b c m
Cell volume: 293.59
Cell parameters: 4.6226; 12.6213; 5.0321; 90; 90; 90;  

COD ID: 3000328
CIF file Formula: - Fe3 O4 -
Comments: Paul, Tanmoy A study on Ti-doped Fe3O4 anode for Li ion battery using machine learning, electrochemical and distrib analyses Scientific Reports (2022) 4851
Space group: P b c m
Cell volume: 249.716
Cell parameters: 2.8202; 9.4378; 9.382; 90; 90; 90;  

COD ID: 4000248
CIF file Formula: - C16 H24 F4 N2 O15 P2 U3 -
Comments: Chemistry of Materials (2003)
Space group: P b c m
Cell volume: 2891.1
Cell parameters: 6.7796; 17.2821; 24.6754; 90; 90; 90;  

COD ID: 4000497
CIF file Formula: - Co3 H6 O12 S2 -
Comments: Chemistry of Materials (2005)
Space group: P b c m
Cell volume: 900.72
Cell parameters: 7.1959; 9.7542; 12.8326; 90; 90; 90;  

COD ID: 4000575
CIF file Formula: - Cr Sb3 Yb -
Comments: Crerar, Shane J.; Deakin, Laura; Mar, Arthur Structure and Physical Properties of Ternary Antimonide YbCr~3~Sb~3~ Chemistry of Materials 17(10) (2005) 2780-2784
Space group: P b c m
Cell volume: 477.6
Cell parameters: 12.981; 6.1396; 5.9926; 90; 90; 90;  

COD ID: 4000920
CIF file Formula: - Ca2 Co Fe O5 -
Comments: Ramezanipour, Farshid; Greedan, John E.; Grosvenor, Andrew P.; Britten, James F.; Cranswick, Lachlan M. D.; Garlea, V. Ovidiu Intralayer Cation Ordering in a Brownmillerite Superstructure: Synthesis, Crystal, and Magnetic Structures of Ca2FeCoO5 Chemistry of Materials 22(21) (2010) 6008
Space group: P b c m
Cell volume: 881.07
Cell parameters: 5.3675; 11.1072; 14.7787; 90; 90; 90;  

COD ID: 4001613
CIF file Formula: - C37 H28 Cu4 O24 -
Comments: Zhuang, Wenjuan; Yuan, Daqiang; Liu, Dahuan; Zhong, Chongli; Li, Jian-Rong; Zhou, Hong-Cai Robust Metal‒Organic Framework with An Octatopic Ligand for Gas Adsorption and Separation: Combined Characterization by Experiments and Molecular Simulation Chemistry of Materials 24(1) (2012) 18
Space group: P b c m
Cell volume: 8224.5
Cell parameters: 12.2473; 25.914; 25.9141; 90; 90; 90;  

COD ID: 4001953
CIF file Formula: - C46 H30 F6 -
Comments: McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J. Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties Chemistry of Materials 25(11) (2013) 2254
Space group: P b c m
Cell volume: 3427.4
Cell parameters: 7.1443; 14.051; 34.143; 90; 90; 90;  

COD ID: 4001954
CIF file Formula: - C48 H34 F6 -
Comments: McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J. Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties Chemistry of Materials 25(11) (2013) 2254
Space group: P b c m
Cell volume: 3573.7
Cell parameters: 7.5317; 14.634; 32.424; 90; 90; 90;  

COD ID: 4002954
CIF file Formula: - C10 H16 Br4 Hg N4 O -
Comments: Yangui, Aymen; Roccanova, Rachel; McWhorter, Timothy M.; Wu, Yuntao; Du, Mao-Hua; Saparov, Bayrammurad Hybrid Organic‒Inorganic Halides (C5H7N2)2MBr4 (M = Hg, Zn) with High Color Rendering Index and High-Efficiency White-Light Emission Chemistry of Materials 31(8) (2019) 2983
Space group: P b c m
Cell volume: 1762
Cell parameters: 6.7934; 13.8808; 18.685; 90; 90; 90;  

COD ID: 4023191
CIF file Formula: - C39 H30 N6 O3 -
Comments: Zhiqing Yan; Troy McCracken; Shijing Xia; Veselin Maslak; Judith Gallucci; Christopher M. Hadad; Jovica D. Badjič Supramolecular Catalysis at Work: Diastereoselective Synthesis of a Molecular Bowl with Dynamic Inner Space Journal of Organic Chemistry 73 (2008) 355-363
Space group: P b c m
Cell volume: 7328.53
Cell parameters: 17.6837; 20.8217; 19.9034; 90; 90; 90;  

COD ID: 4025138
CIF file Formula: - C12 H10 Br N O2 S -
Comments: Baolu Shi; Alexander J. Blake; William Lewis; Ian B. Campbell; Brian D. Judkins; Christopher J. Moody Rhodium Carbene Routes to Oxazoles and Thiazoles. Catalyst Effects in the Synthesis of Oxazole and Thiazole Carboxylates, Phosphonates, and Sulfones Journal of Organic Chemistry 75 (2010) 152-161
Space group: P b c m
Cell volume: 1217.69
Cell parameters: 13.0465; 13.8969; 6.7162; 90; 90; 90;  

COD ID: 4025230
CIF file Formula: - C16 H29 F12 N5 P2 -
Comments: Christopher J. Adams; Rosenildo C. da Costa; Ruth Edge; Dennis H. Evans; Matthew F. Hood On the Causes of Potential Inversion in 1,2,4,5-Tetrakis(amino)benzenes Journal of Organic Chemistry 75 (2010) 1168-1178
Space group: P b c m
Cell volume: 2417.1
Cell parameters: 8.8766; 12.1306; 22.447; 90; 90; 90;  

COD ID: 4031569
CIF file Formula: - Fe6 H9 K4 Na7 O117.8 Si2 W18 -
Comments: Anderson, T.M.; Ammam, M.; Cao, R.; Neiwert, W.A.; Hardcastle, K.I.; Hill, C.L.; Nadjo, L.; Keita, B. Structural and Electrochemical Studies of Dimerization and Rotational Isomerization in Multi-Iron Silicotungstates European Journal of Inorganic Chemistry 2005 (2005) 1770-1775
Space group: P b c m
Cell volume: 10758.9
Cell parameters: 12.9709; 38.72; 21.4221; 90; 90; 90;  

COD ID: 4034658
CIF file Formula: - C4 H2.5 Cl0.5 F1.5 N0.5 O S0.5 -
Comments: Achar, Tapas Kumar; Biswas, Jyoti Prasad; Porey, Sandip; Pal, Tapas; Ramakrishna, Kankanala; Maiti, Siddhartha; Maiti, Debabrata Palladium-Catalyzed Template Directed C-5 Selective Olefination of Thiazoles. The Journal of organic chemistry 84(12) (2019) 8315-8321
Space group: P b c m
Cell volume: 1055.42
Cell parameters: 8.2188; 19.2559; 6.6689; 90; 90; 90;  

COD ID: 4060120
CIF file Formula: - C4 H8 Au Cl N3 -
Comments: Wang, Harrison M. J.; Vasam, Chandra Sekhar; Tsai, Thomas Y. R.; Chen, Shih-Hua; Chang, A. H. H.; Lin, Ivan J. B. Gold(I) N-Heterocyclic Carbene and Carbazolate Complexes Organometallics 24(4) (2005) 486-493
Space group: P b c m
Cell volume: 1547.8
Cell parameters: 14.4371; 15.9432; 6.7245; 90; 90; 90;  

COD ID: 4060817
CIF file Formula: - C30 H48 Cl Ir3 S4 -
Comments: Takagi, Fusao; Seino, Hidetake; Mizobe, Yasushi; Hidai, Masanobu Synthesis of a New Tetrakis(hydrosulfido) Diiridium Complex and Its Conversion into Homo- and Heterometallic Sulfido-Hydrosulfido Clusters Organometallics 21(4) (2002) 694-699
Space group: P b c m
Cell volume: 3533
Cell parameters: 9.894; 19.736; 18.098; 90; 90; 90;  

COD ID: 4061468
CIF file Formula: - C17 H21 N Zr -
Comments: Tamm, M.; Kunst, A.; Bannenberg, T.; Herdtweck, E.; Schmid, R. Cycloheptatrienyl-Cyclopentadienlyl-Zirconium Sandwich Complexes: Structure and Bonding Organometallics 24(13) (2005) 3163-3171
Space group: P b c m
Cell volume: 1568.34
Cell parameters: 8.3304; 18.5959; 10.1241; 90; 90; 90;  

COD ID: 4061766
CIF file Formula: - C28 H49 N5 Si2 Ti -
Comments: Skinner, M. E. G.; Toupance, T.; Cowhig, D. A.; Tyrrell, B. R.; Mountford, P. New Group 4 Organometallic and Imido Compounds of Diamide-Diamine and Related Dianionic O~2~N~2~-Donor Ligands Organometallics 24(23) (2005) 5586-5603
Space group: P b c m
Cell volume: 3179.4
Cell parameters: 9.8632; 18.413; 17.507; 90; 90; 90;  

COD ID: 4062278
CIF file Formula: - C36 H49 F3 Si -
Comments: Ionkin, Alex S.; Marshall, William J. Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes Organometallics 22(20) (2003) 4136-4144
Space group: P b c m
Cell volume: 3371.2
Cell parameters: 10.9519; 12.084; 25.473; 90; 90; 90;  

COD ID: 4062281
CIF file Formula: - C18 H25.5 F0.76 I0.14 Si0.36 -
Comments: Ionkin, Alex S.; Marshall, William J. Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes Organometallics 22(20) (2003) 4136-4144
Space group: P b c m
Cell volume: 3386.8
Cell parameters: 10.9666; 12.1283; 25.463; 90; 90; 90;  

COD ID: 4065790
CIF file Formula: - C12 H18 F6 N3 Os P -
Comments: Batuecas, María; Esteruelas, Miguel A.; García-Yebra, Cristina; Oñate, Enrique Redox Isomerization of Allylic Alcohols Catalyzed by Osmium and Ruthenium Complexes Containing a Cyclopentadienyl Ligand with a Pendant Amine or Phosphoramidite Group: X-ray Structure of an η3-1-Hydroxyallyl-Metal-Hydride Intermediate Organometallics 29(9) (2010) 2166
Space group: P b c m
Cell volume: 1648.8
Cell parameters: 7.2245; 13.747; 16.602; 90; 90; 90;  

COD ID: 4069507
CIF file Formula: - C25 H29 Cl2 N2 P Ru -
Comments: Arquier, Damien; Vendier, Laure; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Bastin, Stéphanie; Igau, Alain Crucial Role of the Amidine Moiety in Methylenamino Phosphine-Type Ligands for the Synthesis of Tethered η6-Arene-η1-PRuthenium(II) Complexes: Experimental and Theoretical Studies Organometallics 28(17) (2009) 4945
Space group: P b c m
Cell volume: 2407.8
Cell parameters: 9.2495; 20.802; 12.514; 90; 90; 90;  

COD ID: 4069914
CIF file Formula: - C28 H61 B10 Cl2 Li O2 Zr -
Comments: Ren, Shikuo; Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei Synthesis and Structural Characterization of Zirconium−Carboryne Complexes Organometallics 28(19) (2009) 5749
Space group: P b c m
Cell volume: 4073.7
Cell parameters: 10.956; 24.239; 15.34; 90; 90; 90;  

COD ID: 4071836
CIF file Formula: - C25 H39 Cl4 Ir2 N3 O -
Comments: Zanardi, Alessandro; Corberán, Rosa; Mata, José A.; Peris, Eduardo Homo- and Heterodinuclear Complexes with Triazolyl-diylidene. An Easy Approach to Tandem Catalysts⊥ Organometallics 27(14) (2008) 3570
Space group: P b c m
Cell volume: 3033.2
Cell parameters: 8.4528; 15.0376; 23.8627; 90; 90; 90;  

COD ID: 4072663
CIF file Formula: - C10 H20 Os -
Comments: Gross, Christopher L.; Girolami, Gregory S. Synthesis and Characterization of Osmium Polyhydrides. X-ray Crystal Structures of (C5Me5)OsH5and (C5Me5)2Os2H4 Organometallics 26(1) (2007) 160
Space group: P b c m
Cell volume: 1111.13
Cell parameters: 6.1509; 13.5685; 13.3136; 90; 90; 90;  

COD ID: 4073486
CIF file Formula: - C21 H3 Ag6 F25 O14 S -
Comments: Zhao, Liang; Mak, Thomas C. W. Silver(I)−Thiophene π Interaction in the Assembly of Coordination Networks with the Supramolecular Synthons R−C⋮C⊃Agn(R = 2- or 3-thienyl;n= 4)† Organometallics 26(18) (2007) 4439
Space group: P b c m
Cell volume: 8430.3
Cell parameters: 14.1464; 20.208; 29.49; 90; 90; 90;  

COD ID: 4074898
CIF file Formula: - C22 H22 Ag Au P2 -
Comments: Schuster, Oliver; Monkowius, Uwe; Schmidbaur, Hubert; Ray, R. Shyama; Krüger, Sven; Rösch, Notker Unexpected Structural Preference for Aggregates with Metallophilic Ag- - -Au Contacts in (Trimethylphosphine)silver(I) and -gold(I) Phenylethynyl Complexes. An Experimental and Theoretical Study Organometallics 25(4) (2006) 1004
Space group: P b c m
Cell volume: 2315.71
Cell parameters: 6.4292; 18.6655; 19.2969; 90; 90; 90;  

COD ID: 4075690
CIF file Formula: - C46 H43 Cl4 I O P2 Pd -
Comments: Lindsell, W. Edward; Palmer, Daniel D.; Preston, Peter N.; Rosair, Georgina M.; Jones, Ray V. H.; Whitton, Alan J. Investigations of Benzyl and Aryl Palladium Complexes with Pendant Hydroxy Substituents and Their Transformation into Benzolactones on Carbonylation Organometallics 24(6) (2005) 1119
Space group: P b c m
Cell volume: 4478.7
Cell parameters: 10.36; 18.713; 23.102; 90; 90; 90;  

COD ID: 4077523
CIF file Formula: - C11 H15 Br0.77 Cl0.23 Mo -
Comments: Le Grognec, Erwan; Poli, Rinaldo; Richard, Philippe Dialkyl(butadiene)cyclopentadienylmolybdenum(III) Complexes. Synthesis, Characterization, and Reactivity Organometallics 19(19) (2000) 3842
Space group: P b c m
Cell volume: 2113.62
Cell parameters: 8.703; 19.521; 12.441; 90; 90; 90;  

COD ID: 4077699
CIF file Formula: - C36 H49 F3 Si -
Comments: Pietschnig, Rudolf; West, Robert; Powell, Douglas R. Reduction of Terphenyltrifluorosilanes: C−C Insertion Products and Possible Formation of a Disilyne Organometallics 19(14) (2000) 2724
Space group: P b c m
Cell volume: 3373.6
Cell parameters: 10.9496; 12.0899; 25.4843; 90; 90; 90;  

COD ID: 4078100
CIF file Formula: - C20 H42 Al N Si -
Comments: Holtrichter-Rößmann, Thorsten; Rösener, Christian; Hellmann, Johannes; Uhl, Werner; Würthwein, Ernst-Ulrich; Fröhlich, Roland; Wibbeling, Birgit Generation of Weakly Bound Al‒N Lewis Pairs by Hydroalumination of Ynamines and the Activation of Small Molecules: Phenylethyne and Dicyclohexylcarbodiimide Organometallics 31(8) (2012) 3272
Space group: P b c m
Cell volume: 2361.38
Cell parameters: 9.3869; 16.6437; 15.1145; 90; 90; 90;  

COD ID: 4085241
CIF file Formula: - C22 H62 B22 Hg N2 -
Comments: Himmelspach, Alexander; Warneke, Jonas; Schäfer, Marius; Hailmann, Michael; Finze, Maik Salts of the Dianions [Hg(12-X-closo-1-CB11H10)2]2‒(X = I, C≡CH, C≡CFc, C≡CSiiPr3): Synthesis and Spectroscopic and Structural Characterization Organometallics 34(2) (2015) 462
Space group: P b c m
Cell volume: 5764.7
Cell parameters: 18.2713; 18.7533; 16.8241; 90; 90; 90;  

COD ID: 4087580
CIF file Formula: - C43 H41 Cl4 I3 N2 P2 Pd -
Comments: Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi Synthesis, Structure, and Coordination Chemistry of Phosphine-Functionalized Imidazole/Imidazolium Salts and Cleavage of a C‒P Bond in an NHC‒Phosphenium Salt using a Pd(0) Precursor Organometallics 34(15) (2015) 3713
Space group: P b c m
Cell volume: 4660.9
Cell parameters: 11.1118; 18.4875; 22.6886; 90; 90; 90;  

COD ID: 4087628
CIF file Formula: - C31 H61 Cl N2 O4 Os P2 -
Comments: Bolaño, Tamara; Esteruelas, Miguel A.; Gay, M. Pilar; Oñate, Enrique; Pastor, Isidro M.; Yus, Miguel An Acyl-NHC Osmium Cooperative System: Coordination of Small Molecules and Heterolytic B‒H and O‒H Bond Activation Organometallics 34(15) (2015) 3902
Space group: P b c m
Cell volume: 3656.6
Cell parameters: 9.0903; 18.0138; 22.3303; 90; 90; 90;  

COD ID: 4100265
CIF file Formula: - C29 H50 B10 N2 O Zr -
Comments: Journal of the American Chemical Society (2005)
Space group: P b c m
Cell volume: 3389.3
Cell parameters: 10.556; 24.47; 13.1219; 90; 90; 90;  

COD ID: 4102155
CIF file Formula: - C3 H7 B11 Cl12 -
Comments: Evgenii S. Stoyanov; Irina V. Stoyanova; Fook S. Tham; Christopher A. Reed Dialkyl Chloronium Ions Journal of the American Chemical Society 132 (2010) 4062-4063
Space group: P b c m
Cell volume: 2171.84
Cell parameters: 10.2876; 13.1974; 15.9965; 90; 90; 90;  

COD ID: 4104184
CIF file Formula: - C45 H68 B Ca N3 O -
Comments: Jan Spielmann; Sjoerd Harder Hydrogen Elimination in Bulky Calcium Amidoborane Complexes: Isolation of a Calcium Borylamide Complex Journal of the American Chemical Society 131 (2009) 5064-5065
Space group: P b c m
Cell volume: 4412.44
Cell parameters: 11.139; 18.6226; 21.2712; 90; 90; 90;  

COD ID: 4104227
CIF file Formula: - C21 H23 Cl6 F3 N2 O3 Pt S -
Comments: Marc-Etienne Moret; Peter Chen Interaction of Organoplatinum(II) Complexes with Monovalent Coinage Metal Triflates Journal of the American Chemical Society 131 (2009) 5675-5690
Space group: P b c m
Cell volume: 2895.06
Cell parameters: 10.1359; 14.4793; 19.7264; 90; 90; 90;  

COD ID: 4104617
CIF file Formula: - C20 H19 Au F6 N5 P -
Comments: Vonika Ka-Man Au; Keith Man-Chung Wong; Nianyong Zhu; Vivian Wing-Wah Yam Luminescent Cyclometalated N-Heterocyclic Carbene-Containing Organogold(III) Complexes: Synthesis, Characterization, Electrochemistry, and Photophysical Studies Journal of the American Chemical Society 131 (2009) 9076-9085
Space group: P b c m
Cell volume: 2232.7
Cell parameters: 12.22; 11.51; 15.874; 90; 90; 90;  

COD ID: 4105456
CIF file Formula: - Cl8 Ga P -
Comments: Jan J. Weigand; Neil Burford; Reagan J. Davidson; T. Stanley Cameron; Patrick Seelheim New Synthetic Procedures to Catena-Phosphorus Cations: Preparation and Dissociation of the First cyclo-Phosphino-halophosphonium Salts Journal of the American Chemical Society 131 (2009) 17943-17953
Space group: P b c m
Cell volume: 1139.7
Cell parameters: 6.1146; 13.5142; 13.7921; 90; 90; 90;  

COD ID: 4106283
CIF file Formula: - C35 H36 Co F9 N5 O10 S2 -
Comments: Yujie Sun; Julian P. Bigi; Nicholas A. Piro; Ming Lee Tang; Jeffrey R. Long; Christopher J. Chang Molecular Cobalt Pentapyridine Catalysts for Generating Hydrogen from Water Journal of the American Chemical Society 133 (2011) 9212-9215
Space group: P b c m
Cell volume: 3858.5
Cell parameters: 10.4204; 22.6271; 16.3644; 90; 90; 90;  

COD ID: 4107235
CIF file Formula: - C50 H99 Cl3 F6 Fe3 O6 P12 S2 -
Comments: Wesley A. Hoffert; Anthony K. Rappé; Matthew P. Shores Topological and Electronic Influences on Magnetic Exchange Coupling in Fe(III) Ethynylbenzene Dendritic Building Blocks Journal of the American Chemical Society 133 (2011) 20823-20836
Space group: P b c m
Cell volume: 9366.5
Cell parameters: 15.5873; 28.0448; 21.4267; 90; 90; 90;  

COD ID: 4107606
CIF file Formula: - C12 H24 Cl3 Fe P Si -
Comments: Dmitry V. Gutsulyak; Lyudmila G. Kuzmina; Judith A. K. Howard; Sergei F. Vyboishchikov; Georgii I. Nikonov Cp(Pri2MeP)FeH2SiR3: Nonclassical Iron Silyl Dihydride Journal of the American Chemical Society 130 (2008) 3732-3733
Space group: P b c m
Cell volume: 1736.13
Cell parameters: 8.6134; 16.7404; 12.0404; 90; 90; 90;  

COD ID: 4112721
CIF file Formula: - C13 H30 Br2 N2 Ni2 O2 P2 -
Comments: David A. Vicic; Thomas J. Anderson; John A. Cowan; Arthur J. Schultz Synthesis, Structure, and Reactivity of a Dinuclear Metal Complex with Linear M-H-M Bonding Journal of the American Chemical Society 126 (2004) 8132-8133
Space group: P b c m
Cell volume: 2273
Cell parameters: 7.479; 15.246; 19.93; 90; 90; 90;  

COD ID: 4113234
CIF file Formula: - C11 H11 F3 O3 P2 S -
Comments: Stephan A. Reiter; Stefan D. Nogai; Konstantin Karaghiosoff; Hubert Schmidbaur Insignificance of P-H...P Hydrogen Bonding: Structural Chemistry of Neutral and Protonated 1,8-Di(phosphinyl)naphthalene Journal of the American Chemical Society 126 (2004) 15833-15843
Space group: P b c m
Cell volume: 1388.58
Cell parameters: 10.5319; 18.005; 7.3227; 90; 90; 90;  

COD ID: 4113793
CIF file Formula: - C3 H10 N2 Te Zn -
Comments: Xiaoying Huang; Jing Li; Yong Zhang; Angelo Mascarenhas From 1D Chain to 3D Network: Tuning Hybrid II-VI Nanostructures and Their Optical Properties Journal of the American Chemical Society 125 (2003) 7049-7055
Space group: P b c m
Cell volume: 722.7
Cell parameters: 9.997; 6.997; 10.332; 90; 90; 90;  

COD ID: 4115144
CIF file Formula: - C4 H18 Cl3 N3 O -
Comments: Colin A. Bremner; Michael Simpson; William T. A. Harrison New Molecular Perovskites: Cubic C4N2H12.NH4Cl3.H2O and 2-H Hexagonal C6N2H14.NH4Cl3 Journal of the American Chemical Society 124 (2002) 10960-10961
Space group: P b c m
Cell volume: 1084.9
Cell parameters: 6.5279; 12.935; 12.849; 90; 90; 90;  

COD ID: 4115594
CIF file Formula: - Cl F10 Sb -
Comments: Karl O. Christe; Xiongzhi Zhang; Jeffrey A. Sheehy; Robert Bau Crystal Structure of ClF4+SbF6-, Normal Coordinate Analyses of ClF4+, BrF4+, IF4+, SF4, SeF4, and TeF4, and Simple Method for Calculating the Effects of Fluorine Bridging on the Structure and Vibrational Spectra of Ions in a Strongly Interacting Ionic Solid Journal of the American Chemical Society 123 (2001) 6338-6348
Space group: P b c m
Cell volume: 719.69
Cell parameters: 5.957; 15.17; 7.964; 90; 90; 90;  

COD ID: 4115861
CIF file Formula: - Cu0.32 Dy Te2 -
Comments: Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers Syntheses, Structures, Physical Properties, and Theoretical Study of LaCu0.40Te2, NdCu0.37Te2, SmCu0.34Te2, GdCu0.33Te2, and DyCu0.32Te2 Journal of the American Chemical Society 122 (2000) 80-86
Space group: P b c m
Cell volume: 370.41
Cell parameters: 7.5278; 8.1269; 6.0546; 90; 90; 90;  

COD ID: 4115862
CIF file Formula: - Cu0.33 Gd Te2 -
Comments: Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers Syntheses, Structures, Physical Properties, and Theoretical Study of LaCu0.40Te2, NdCu0.37Te2, SmCu0.34Te2, GdCu0.33Te2, and DyCu0.32Te2 Journal of the American Chemical Society 122 (2000) 80-86
Space group: P b c m
Cell volume: 378.34
Cell parameters: 7.567; 8.211; 6.0893; 90; 90; 90;  

COD ID: 4115863
CIF file Formula: - Cu0.4 La Te2 -
Comments: Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers Syntheses, Structures, Physical Properties, and Theoretical Study of LaCu0.40Te2, NdCu0.37Te2, SmCu0.34Te2, GdCu0.33Te2, and DyCu0.32Te2 Journal of the American Chemical Society 122 (2000) 80-86
Space group: P b c m
Cell volume: 417.72
Cell parameters: 7.7063; 8.5882; 6.3115; 90; 90; 90;  

COD ID: 4115864
CIF file Formula: - Cu0.37 Nd Te2 -
Comments: Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers Syntheses, Structures, Physical Properties, and Theoretical Study of LaCu0.40Te2, NdCu0.37Te2, SmCu0.34Te2, GdCu0.33Te2, and DyCu0.32Te2 Journal of the American Chemical Society 122 (2000) 80-86
Space group: P b c m
Cell volume: 396.49
Cell parameters: 7.6349; 8.398; 6.1838; 90; 90; 90;  

COD ID: 4115865
CIF file Formula: - Cu0.34 Sm Te2 -
Comments: Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers Syntheses, Structures, Physical Properties, and Theoretical Study of LaCu0.40Te2, NdCu0.37Te2, SmCu0.34Te2, GdCu0.33Te2, and DyCu0.32Te2 Journal of the American Chemical Society 122 (2000) 80-86
Space group: P b c m
Cell volume: 387.8
Cell parameters: 7.6003; 8.3085; 6.1412; 90; 90; 90;  

COD ID: 4116172
CIF file Formula: - C13 H15 F3 Mo O3 S -
Comments: Christoph Balzarek; Timothy J. R. Weakley; David R. Tyler C-H Bond Activation in Aqueous Solution: Kinetics and Mechanism of H/D Exchange in Alcohols Catalyzed by Molybdocenes Journal of the American Chemical Society 122 (2000) 9427-9434
Space group: P b c m
Cell volume: 1453.8
Cell parameters: 12.018; 8.6571; 13.973; 90; 90; 90;  

COD ID: 4116870
CIF file Formula: - C31 H25 B Cl13 N8 Zr6 -
Comments: Xiaobing Xie; Joseph H. Reibenspies; Timothy Hughbanks Probing the Coordination Chemistry of [Zr6BCl12]+: A Cluster Especially Amenable to NMR Study Journal of the American Chemical Society 120 (1998) 11391-11400
Space group: P b c m
Cell volume: 5059.82
Cell parameters: 13.4268; 25.8258; 14.5918; 90; 90; 90;  

COD ID: 4117902
CIF file Formula: - C4 H F2 K O4 -
Comments: Charles L. Perrin; Phaneendrasai Karri; Curtis Moore; Arnold L. Rheingold Hydrogen-Bond Symmetry in Difluoromaleate Monoanion Journal of the American Chemical Society 134 (2012) 7766-7772
Space group: P b c m
Cell volume: 576.58
Cell parameters: 4.6377; 8.0574; 15.4299; 90; 90; 90;  

COD ID: 4122292
CIF file Formula: - C86 H73 F36 N9 P6 -
Comments: Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser ExCage Journal of the American Chemical Society 136(30) (2014) 10669
Space group: P b c m
Cell volume: 11060.4
Cell parameters: 18.1032; 28.586; 21.3729; 90; 90; 90;  

COD ID: 4126952
CIF file Formula: - C4 H12 Cl4 Fe N -
Comments: Harada, Jun; Yoneyama, Naho; Yokokura, Seiya; Takahashi, Yukihiro; Miura, Atsushi; Kitamura, Noboru; Inabe, Tamotsu Ferroelectricity and Piezoelectricity in Free-Standing Polycrystalline Films of Plastic Crystals. Journal of the American Chemical Society (2017)
Space group: P b c m
Cell volume: 1178.8
Cell parameters: 6.4415; 13.071; 14.001; 90; 90; 90;  

COD ID: 4127241
CIF file Formula: - C17 H15 N3 O2 -
Comments: Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones. Journal of the American Chemical Society 141(20) (2019) 8364-8371
Space group: P b c m
Cell volume: 1497
Cell parameters: 15.1332; 15.1; 6.5509; 90; 90; 90;  

COD ID: 4129004
CIF file Formula: - C37 H49 N O -
Comments: Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S. Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center. Journal of the American Chemical Society 141(38) (2019) 15003-15007
Space group: P b c m
Cell volume: 3299.1
Cell parameters: 10.9033; 12.0359; 25.14; 90; 90; 90;  

COD ID: 4132086
CIF file Formula: - C79 H117 K N6 Ni2 O13 -
Comments: Duan, Peng-Cheng; Manz, Dennis-Helmut; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc Reductive O<sub>2</sub> Binding at a Dihydride Complex Leading to Redox Interconvertible μ-1,2-Peroxo and μ-1,2-Superoxo Dinickel(II) Intermediates. Journal of the American Chemical Society 140(14) (2018) 4929-4939
Space group: P b c m
Cell volume: 7917.6
Cell parameters: 11.2912; 25.8683; 27.1074; 90; 90; 90;  

COD ID: 4132436
CIF file Formula: - C14 H20 F6 Fe N P -
Comments: Drolen, Claire; Conklin, Eric; Hetterich, Stephen J.; Krishnamurthy, Aditi; Andrade, Gabriel A.; Dimeglio, John L.; Martin, Maxwell I.; Tran, Linh K.; Yap, Glenn P. A.; Rosenthal, Joel; Young, Elizabeth R. pH-Driven Mechanistic Switching from Electron Transfer to Energy Transfer between [Ru(bpy)<sub>3</sub>]<sup>2+</sup> and Ferrocene Derivatives. Journal of the American Chemical Society 140(32) (2018) 10169-10178
Space group: P b c m
Cell volume: 1674.3
Cell parameters: 9.842; 13.966; 12.181; 90; 90; 90;  

COD ID: 4133010
CIF file Formula: - C45 H59 B11 Br5 N O2 -
Comments: Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation. Journal of the American Chemical Society 140(42) (2018) 13798-13807
Space group: P b c m
Cell volume: 5167.6
Cell parameters: 7.236; 26.5714; 26.8768; 90; 90; 90;  

COD ID: 4133933
CIF file Formula: - C5 H5 B F4 K N O -
Comments: Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. Journal of the American Chemical Society 142(3) (2020) 1603-1613
Space group: P b c m
Cell volume: 828.73
Cell parameters: 8.5562; 13.8694; 6.9835; 90; 90; 90;  

COD ID: 4134989
CIF file Formula: - C6 H14 I N -
Comments: Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite. Journal of the American Chemical Society 142(22) (2020) 10212-10218
Space group: P b c m
Cell volume: 931.98
Cell parameters: 10.7896; 8.1584; 10.5876; 90; 90; 90;  

COD ID: 4134994
CIF file Formula: - C6 H12 F I N -
Comments: Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite. Journal of the American Chemical Society 142(22) (2020) 10212-10218
Space group: P b c m
Cell volume: 942.53
Cell parameters: 10.9328; 8.215; 10.4944; 90; 90; 90;  

COD ID: 4301129
CIF file Formula: - C54 H48 Cd F6 N12 O6 S2 -
Comments: Qing Wang; Jianyong Zhang; Chun-Feng Zhuang; Yu Tang; Cheng-Yong Su Guest Inclusion and Interpenetration Tuning of Cd(II)/Mn(II) Coordination Grid Networks Assembled from a Rigid Linear Diimidazole Schiff Base Ligand Inorganic Chemistry 48 (2009) 287-295
Space group: P b c m
Cell volume: 5454
Cell parameters: 18.8212; 14.3326; 20.2184; 90; 90; 90;  

COD ID: 4301966
CIF file Formula: - C21 H45 F6 N2 P3 Pd -
Comments: Alexander N. Marziale; Eberhardt Herdtweck; Jörg Eppinger; Sven Schneider Palladium N(CH2CH2PiPr2)2-Dialkylamides: Synthesis, Structural Characterization, and Reactivity Inorganic Chemistry 48 (2009) 3699-3709
Space group: P b c m
Cell volume: 2965.26
Cell parameters: 9.5853; 15.7998; 19.5797; 90; 90; 90;  

COD ID: 4303798
CIF file Formula: - Fe La4 S10 Sb2 -
Comments: Hua-Jun Zhao; Long-Hua Li; Li-Ming Wu; Ling Chen Syntheses, Crystal and Electronic Structures, and Physical Properties of Two Quaternary Chalcogenides: La4FeSb2Q10 (Q = S, Se) Inorganic Chemistry 48 (2009) 11518-11524
Space group: P b c m
Cell volume: 1525.6
Cell parameters: 15.066; 7.59; 13.341; 90; 90; 90;  

COD ID: 4303799
CIF file Formula: - Fe La4 Sb2 Se10 -
Comments: Hua-Jun Zhao; Long-Hua Li; Li-Ming Wu; Ling Chen Syntheses, Crystal and Electronic Structures, and Physical Properties of Two Quaternary Chalcogenides: La4FeSb2Q10 (Q = S, Se) Inorganic Chemistry 48 (2009) 11518-11524
Space group: P b c m
Cell volume: 1713.2
Cell parameters: 15.596; 7.869; 13.96; 90; 90; 90;  

COD ID: 4305599
CIF file Formula: - C12 H22 B N6 Na O3 S6 -
Comments: Rosalice M. Silva; Chengeto Gwengo; Sergey V. Lindeman; Mark D. Smith; Gary J. Long; Fernande Grandjean; James R. Gardinier A Second-Generation Janus Scorpionate Ligand: Controlling Coordination Modes in Iron(II) Complexes by Steric Modulation Inorganic Chemistry 47 (2008) 7233-7242
Space group: P b c m
Cell volume: 2409.7
Cell parameters: 11.0116; 15.8601; 13.7977; 90; 90; 90;  

COD ID: 4305661
CIF file Formula: - C5 H3 Cl Cu N2 O2 -
Comments: José Suárez-Varela; Antonio J. Mota; Hakima Aouryaghal; Joan Cano; A. Rodríguez-Diéguez; Dominique Luneau; Enrique Colacio Anion Influence on the Structure and Magnetic Properties of a Series of Multidimensional Pyrimidine-2-carboxylato-Bridged Copper(II) Complexes Inorganic Chemistry 47 (2008) 8143-8158
Space group: P b c m
Cell volume: 657.05
Cell parameters: 6.5488; 9.4281; 10.6417; 90; 90; 90;  

COD ID: 4306836
CIF file Formula: - C29 H56 Fe Mn N10 O8 -
Comments: Wei-Wei Ni; Zhong-Hai Ni; Ai-Li Cui; Xin Liang; Hui-Zhong Kou Cyanide-Bridged Mn(III)-Fe(III) Bimetallic Complexes Based on the Pentacyano(1-methylimidazole)ferrate(III) Building Block: Structure and Magnetic Characterizations Inorganic Chemistry 46 (2007) 22-33
Space group: P b c m
Cell volume: 3786.4
Cell parameters: 11.994; 18.333; 17.22; 90; 90; 90;  

COD ID: 4307077
CIF file Formula: - Ce Ni Sb3 -
Comments: Evan Lyle Thomas; Dixie P. Gautreaux; Han-Oh Lee; Zachary Fisk; Julia Y. Chan Discovery of β-LnNiSb3 (Ln = La, Ce): Crystal Growth, Structure, and Magnetic and Transport Behavior Inorganic Chemistry 46 (2007) 3010-3016
Space group: P b c m
Cell volume: 956.13
Cell parameters: 12.917; 6.121; 12.093; 90; 90; 90;  

COD ID: 4307078
CIF file Formula: - La Ni Sb3 -
Comments: Evan Lyle Thomas; Dixie P. Gautreaux; Han-Oh Lee; Zachary Fisk; Julia Y. Chan Discovery of β-LnNiSb3 (Ln = La, Ce): Crystal Growth, Structure, and Magnetic and Transport Behavior Inorganic Chemistry 46 (2007) 3010-3016
Space group: P b c m
Cell volume: 975.2
Cell parameters: 13.097; 6.14; 12.127; 90; 90; 90;  

COD ID: 4307515
CIF file Formula: - C41 H51 N3 O2 Zn -
Comments: Meaghan E. Germain; Thomas R. Vargo; Peter G. Khalifah; Michael J. Knapp Fluorescent Detection of Nitroaromatics and 2,3-Dimethyl- 2,3-dinitrobutane (DMNB) by a Zinc Complex: (salophen)Zn Inorganic Chemistry 46 (2007) 4422-4429
Space group: P b c m
Cell volume: 3721.73
Cell parameters: 15.4018; 10.4556; 23.1113; 90; 90; 90;  

COD ID: 4308129
CIF file Formula: - H28 Na2 O28 Rb4 U2 -
Comments: Karrie-Ann Kubatko; Tori Z. Forbes; Amanda L. Klingensmith; Peter C. Burns Expanding the Crystal Chemistry of Uranyl Peroxides: Synthesis and Structures of Di- and Triperoxodioxouranium(VI) Complexes Inorganic Chemistry 46 (2007) 3657-3662
Space group: P b c m
Cell volume: 2677.3
Cell parameters: 6.808; 16.888; 23.286; 90; 90; 90;  

COD ID: 4308591
CIF file Formula: - H K5 O17 Si4 U2 -
Comments: Chih-Shan Chen; Hsien-Ming Kao; Kwang-Hwa Lii K5(UO2)2[Si4O12(OH)]: A Uranyl Silicate Containing Chains of Four Silicate Tetrahedra Linked by SiO...HOSi Hydrogen Bonds Inorganic Chemistry 44 (2005) 935-940
Space group: P b c m
Cell volume: 3579.2
Cell parameters: 13.1274; 12.2635; 22.2328; 90; 90; 90;  

COD ID: 4309232
CIF file Formula: - C36 H49 I N3 Te -
Comments: Thomas M. Klapötke; Burkhard Krumm; Heinrich Nöth; Juan Carlos Gálvez-Ruiz; Kurt Polborn; Ingo Schwab; Max Suter Kinetic and Donor Stabilization of Organotellurenyl Iodides and Azides Inorganic Chemistry 44 (2005) 5254-5265
Space group: P b c m
Cell volume: 3375.7
Cell parameters: 10.954; 12.06; 25.553; 90; 90; 90;  

COD ID: 4310876
CIF file Formula: - C6 H18 F2 N2 Ni3 O14 S3 -
Comments: J. N. Behera; K. V. Gopalkrishnan; C. N. R. Rao Synthesis, Structure, and Magnetic Properties of Amine-Templated Open-Framework Nickel(II) Sulfates Inorganic Chemistry 43 (2004) 2636-2642
Space group: P b c m
Cell volume: 1779.7
Cell parameters: 7.4812; 9.8688; 24.1052; 90; 90; 90;  

COD ID: 4311899
CIF file Formula: - C8 H12 Cl2 N5 O V -
Comments: Trevor W. Hayton; Brian O. Patrick; Peter Legzdins New Details Concerning the Reactions of Nitric Oxide with Vanadium Tetrachloride Inorganic Chemistry 43 (2004) 7227-7233
Space group: P b c m
Cell volume: 1479.5
Cell parameters: 8.2923; 11.872; 15.0289; 90; 90; 90;  

COD ID: 4312330
CIF file Formula: - H6 Ni3 O12 S2 -
Comments: Serge Vilminot; Mireille Richard-Plouet; Gilles André; Dariusz Swierczynski; Françoise Bourée-Vigneron; Mohamedally Kurmoo Hydrothermal Synthesis in the System Ni(OH)2-NiSO4: Nuclear and Magnetic Structures and Magnetic Properties of Ni3(OH)2(SO4)2(H2O)2 Inorganic Chemistry 42 (2003) 6859-6867
Space group: P b c m
Cell volume: 876.74
Cell parameters: 7.1485; 9.6844; 12.6643; 90; 90; 90;  

COD ID: 4312769
CIF file Formula: - C12 H8 N4 Pt S2 -
Comments: Shinobu Kishi; Masako Kato Thermal and Photo Control of the Linkage Isomerism of Bis(thiocyanato)(2,2'-bipyridine)platinum(II) Inorganic Chemistry 42 (2003) 8728-8734
Space group: P b c m
Cell volume: 1330.7
Cell parameters: 10.3233; 19.973; 6.454; 90; 90; 90;  

COD ID: 4313178
CIF file Formula: - C19 H19 Cu N3 O5 S -
Comments: Masahito Kodera; Yuuji Kajita; Yoshimitsu Tachi; Koji Kano Structural Modulation of Cu(I) and Cu(II) Complexes of Sterically Hindered Tripyridine Ligands by the Bridgehead Alkyl Groups Inorganic Chemistry 42 (2003) 1193-1203
Space group: P b c m
Cell volume: 2126.1
Cell parameters: 8.422; 18.193; 13.876; 90; 90; 90;  

COD ID: 4313491
CIF file Formula: - C6 H3 Ag N4 -
Comments: Brendan F. Abrahams; Stuart R. Batten; Bernard F. Hoskins; Richard Robson AgC(CN)3- Based Coordination Polymers Inorganic Chemistry 42 (2003) 2654-2664
Space group: P b c m
Cell volume: 839.3
Cell parameters: 5.961; 17.493; 8.049; 90; 90; 90;  

COD ID: 4315078
CIF file Formula: - C28 H36 Cl8 Mo N O7 -
Comments: Jason Christ; Corinne Epps; Victoria Pritchard; Derek Schmeh; Cortlandt Pierpont; Ebbe Nordlander Synthesis and Reactivity of Catecholate Complexes Containing Quadruply Bonded Metal Ions Inorganic Chemistry 49 (2010) 2029-2031
Space group: P b c m
Cell volume: 3530.8
Cell parameters: 9.2408; 19.726; 19.3697; 90; 90; 90;  

COD ID: 4316566
CIF file Formula: - C4 H8 N2 O8 U -
Comments: Clare E. Rowland; Christopher L. Cahill Capturing Hydrolysis Products in the Solid State: Effects of pH on Uranyl Squarates under Ambient Conditions Inorganic Chemistry 49 (2010) 8668-8673
Space group: P b c m
Cell volume: 988.07
Cell parameters: 8.5157; 15.6838; 7.398; 90; 90; 90;  

COD ID: 4319073
CIF file Formula: - C12 H42 Cl2 Mo O6 P4 -
Comments: Ryan E. Da Re; Michael D. Hopkins Electronic Spectra and Structures of d2 Molybdenum-Oxo Complexes. Effects of Structural Distortions on Orbital Energies, Two-Electron Terms, and the Mixing of Singlet and Triplet States Inorganic Chemistry 41 (2002) 6973-6985
Space group: P b c m
Cell volume: 2611.3
Cell parameters: 9.4515; 11.9016; 23.214; 90; 90; 90;  

COD ID: 4321225
CIF file Formula: - C14 H32 Cl N2 S3 V -
Comments: Sian C. Davies; David L. Hughes; Zofia Janas; Lucjan B. Jerzykiewicz; Raymond L. Richards; J. Roger Sanders; James E. Silverston; Piotr Sobota Vanadium Complexes of the N(CH2CH2S)33- and O(CH2CH2S)22- Ligands with Coligands Relevant to Nitrogen Fixation Processes Inorganic Chemistry 39 (2000) 3485-3498
Space group: P b c m
Cell volume: 2005.3
Cell parameters: 8.773; 14.345; 15.934; 90; 90; 90;  

COD ID: 4323369
CIF file Formula: - C41 H77 Co N7 -
Comments: Ingrid K. Meier; Ronald M. Pearlstein; Dorai Ramprasad; Guido P. Pez Tetrabutylammonium Tetracyanocobaltate(II) Dioxygen Carriers Inorganic Chemistry 36 (1997) 1707-1714
Space group: P b c m
Cell volume: 4579
Cell parameters: 9.024; 21.886; 23.184; 90; 90; 90;  

COD ID: 4323771
CIF file Formula: - C20 H13 N4 O0.5 Pt -
Comments: Masako Kato; Kumiko Sasano; Chizuko Kosuge; Mikio Yamazaki; Shigenobu Yano; Masaru Kimura Crystal Structures and Luminescence Properties of Platinum(II) Complexes Containing 3,3'-Biisoquinoline Inorganic Chemistry 35 (1996) 116-123
Space group: P b c m
Cell volume: 1711
Cell parameters: 13.989; 18.304; 6.682; 90; 90; 90;  

COD ID: 4324294
CIF file Formula: - O13 Re2 S2 -
Comments: Ulf Betke; Mathias S. Wickleder Sulfates of the Refractory Metals: Crystal Structure and Thermal Behavior of Nb2O2(SO4)3, MoO2(SO4), WO(SO4)2, and Two Modifications of Re2O5(SO4)2 Inorganic Chemistry 50 (2011) 858-872
Space group: P b c m
Cell volume: 863.64
Cell parameters: 7.1544; 7.1619; 16.8551; 90; 90; 90;  

COD ID: 4324608
CIF file Formula: - C94 H48 N8 O37 Y3 -
Comments: Tian-Fu Liu; Jian Lü; Chongbin Tian; Minna Cao; Zujin Lin; Rong Cao Porous Anionic, Cationic, and Neutral Metal-Carboxylate Frameworks Constructed from Flexible Tetrapodal Ligands: Syntheses, Structures, Ion-Exchanges, and Magnetic Properties Inorganic Chemistry 50 (2011) 2264-2271
Space group: P b c m
Cell volume: 10275
Cell parameters: 10.6762; 28.242; 34.079; 90; 90; 90;  

COD ID: 4324609
CIF file Formula: - C90 H102 Dy3 N7 O36 -
Comments: Tian-Fu Liu; Jian Lü; Chongbin Tian; Minna Cao; Zujin Lin; Rong Cao Porous Anionic, Cationic, and Neutral Metal-Carboxylate Frameworks Constructed from Flexible Tetrapodal Ligands: Syntheses, Structures, Ion-Exchanges, and Magnetic Properties Inorganic Chemistry 50 (2011) 2264-2271
Space group: P b c m
Cell volume: 10257
Cell parameters: 10.7029; 28.176; 34.014; 90; 90; 90;  

COD ID: 4326189
CIF file Formula: - Cu O7 Sr Te2 -
Comments: Jeongho Yeon; Sang-Hwan Kim; Michael A. Hayward; P. Shiv Halasyamani "A" Cation Polarity Control in ACuTe2O7 (A = Sr2+, Ba2+, or Pb2+) Inorganic Chemistry 50 (2011) 8663-8670
Space group: P b c m
Cell volume: 585.3
Cell parameters: 7.1464; 15.0609; 5.438; 90; 90; 90;  

COD ID: 4326190
CIF file Formula: - Cu O7 Pb Te2 -
Comments: Jeongho Yeon; Sang-Hwan Kim; Michael A. Hayward; P. Shiv Halasyamani "A" Cation Polarity Control in ACuTe2O7 (A = Sr2+, Ba2+, or Pb2+) Inorganic Chemistry 50 (2011) 8663-8670
Space group: P b c m
Cell volume: 592.78
Cell parameters: 7.2033; 15.0468; 5.4691; 90; 90; 90;  

COD ID: 4327633
CIF file Formula: - C18 H23 Cu F12 N5 P2 -
Comments: Jason A. Halfen; Joseph M. Uhan; Derek C. Fox; Mark P. Mehn; Lawrence Que Copper(II) Complexes of Pyridyl-Appended Diazacycloalkanes: Synthesis, Characterization, and Application to Catalytic Olefin Aziridination Inorganic Chemistry 39 (2000) 4913-4920
Space group: P b c m
Cell volume: 2545.8
Cell parameters: 11.312; 13.545; 16.615; 90; 90; 90;  

COD ID: 4327920
CIF file Formula: - C8 H20 Al2 Cl6 O4 -
Comments: Wojciech Bury; Elżbieta Chwojnowska; Iwona Justyniak; Janusz Lewiński; Aneta Affek; Ewa Zygadło-Monikowska; Joanna Bąk; Zbigniew Florjańczyk Investigations on the Interaction of Dichloroaluminum Carboxylates with Lewis Bases and Water: an Efficient Road toward Oxo- and Hydroxoaluminum Carboxylate Complexes Inorganic Chemistry 51 (2012) 737-745
Space group: P b c m
Cell volume: 1899.75
Cell parameters: 6.7311; 14.7242; 19.1681; 90; 90; 90;  

COD ID: 4328071
CIF file Formula: - C31 H71 Cl3 Co6 Er N11.5 O38.25 -
Comments: George J. Sopasis; Maria Orfanoudaki; Pavlos Zarmpas; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Constantinos J. Milios 2-Aminoisobutyric Acid in Co(II) and Co(II)/Ln(III) Chemistry: Homometallic and Heterometallic Clusters Inorganic Chemistry 51 (2012) 1170-1179
Space group: P b c m
Cell volume: 7834
Cell parameters: 15.225; 21.585; 23.839; 90; 90; 90;  

COD ID: 4329663
CIF file Formula: - C41 H36 O24 S2 Zn4 -
Comments: Ya-Qian Lan; Hai-Long Jiang; Shun-Li Li; Qiang Xu Solvent-Induced Controllable Synthesis, Single-Crystal to Single-Crystal Transformation and Encapsulation of Alq3 for Modulated Luminescence in (4,8)-Connected Metal-Organic Frameworks Inorganic Chemistry 51 (2012) 7484-7491
Space group: P b c m
Cell volume: 8474.7
Cell parameters: 12.16; 26.468; 26.331; 90; 90; 90;  

COD ID: 4329664
CIF file Formula: - C43 H38 N2 O24 Zn4 -
Comments: Ya-Qian Lan; Hai-Long Jiang; Shun-Li Li; Qiang Xu Solvent-Induced Controllable Synthesis, Single-Crystal to Single-Crystal Transformation and Encapsulation of Alq3 for Modulated Luminescence in (4,8)-Connected Metal-Organic Frameworks Inorganic Chemistry 51 (2012) 7484-7491
Space group: P b c m
Cell volume: 8548.6
Cell parameters: 12.383; 26.271; 26.278; 90; 90; 90;  

COD ID: 4329665
CIF file Formula: - C45 H42 N2 O24 Zn4 -
Comments: Ya-Qian Lan; Hai-Long Jiang; Shun-Li Li; Qiang Xu Solvent-Induced Controllable Synthesis, Single-Crystal to Single-Crystal Transformation and Encapsulation of Alq3 for Modulated Luminescence in (4,8)-Connected Metal-Organic Frameworks Inorganic Chemistry 51 (2012) 7484-7491
Space group: P b c m
Cell volume: 8511.8
Cell parameters: 12.31; 26.25; 26.341; 90; 90; 90;  

COD ID: 4329666
CIF file Formula: - C41 H36 O24 Zn4 -
Comments: Ya-Qian Lan; Hai-Long Jiang; Shun-Li Li; Qiang Xu Solvent-Induced Controllable Synthesis, Single-Crystal to Single-Crystal Transformation and Encapsulation of Alq3 for Modulated Luminescence in (4,8)-Connected Metal-Organic Frameworks Inorganic Chemistry 51 (2012) 7484-7491
Space group: P b c m
Cell volume: 8591.6
Cell parameters: 12.5059; 26.1708; 26.2509; 90; 90; 90;  

COD ID: 4329716
CIF file Formula: - C36 H84 Ag11 F6 I4 O12 P7 S12 -
Comments: Yi-Juan Li; Camille Latouche; Samia Kahlal; Jian-Hong Liao; Rajendra Singh Dhayal; Jean-Yves Saillard; C. W. Liu A μ9-Iodide in a Tricapped Trigonal-Prismatic Geometry Inorganic Chemistry 51 (2012) 7439-7441
Space group: P b c m
Cell volume: 9213.5
Cell parameters: 13.2137; 20.9757; 33.2416; 90; 90; 90;  

COD ID: 4329717
CIF file Formula: - C37.5 H87 Ag11 F6 I4 O12.5 P7 Se12 -
Comments: Yi-Juan Li; Camille Latouche; Samia Kahlal; Jian-Hong Liao; Rajendra Singh Dhayal; Jean-Yves Saillard; C. W. Liu A μ9-Iodide in a Tricapped Trigonal-Prismatic Geometry Inorganic Chemistry 51 (2012) 7439-7441
Space group: P b c m
Cell volume: 9562
Cell parameters: 13.3742; 21.242; 33.657; 90; 90; 90;  

COD ID: 4331381
CIF file Formula: - B3 H12 N3 -
Comments: Hima K. Lingam; Cong Wang; Judith C. Gallucci; Xuenian Chen; Sheldon G. Shore New Syntheses and Structural Characterization of NH3BH2Cl and (BH2NH2)3 and Thermal Decomposition Behavior of NH3BH2Cl Inorganic Chemistry 51 (2012) 13430-13436
Space group: P b c m
Cell volume: 597.5
Cell parameters: 4.383; 12.193; 11.18; 90; 90; 90;  

COD ID: 4331940
CIF file Formula: - Cs3.14 Cu O27 P5 U3 -
Comments: Shvareva, Tatiana Y.; Albrecht-Schmitt, Thomas E. General Route to Three-Dimensional Framework Uranyl Transition Metal Phosphates with Atypical Structural Motifs: The Case Examples of Cs2{(UO2)4[Co(H2O)2]2(HPO4)(PO4)4} and Cs3+x[(UO2)3CuH4-x(PO4)5]·H2O Inorganic Chemistry 45(5) (2006) 1900-1902
Space group: P b c m
Cell volume: 2721.2
Cell parameters: 7.5867; 19.9574; 17.9726; 90; 90; 90;  

COD ID: 4332837
CIF file Formula: - C27 H39 Cu F12 N4 O5 P2 -
Comments: Noro, Shin-ichiro; Horike, Satoshi; Tanaka, Daisuke; Kitagawa, Susumu; Akutagawa, Tomoyuki; Nakamura, Takayoshi Flexible and Shape-Selective Guest Binding at CuIIAxial Sites in 1-Dimensional CuII−1,2-Bis(4-pyridyl)ethane Coordination Polymers Inorganic Chemistry 45(23) (2006) 9290-9300
Space group: P b c m
Cell volume: 3676
Cell parameters: 9.3168; 23.612; 16.71; 90; 90; 90;  

COD ID: 4332989
CIF file Formula: - C2 H12 Mo2 O10 Sn -
Comments: Reinoso, Santiago; Dickman, Michael H.; Reicke, Markus; Kortz, Ulrich Hybrid Organic−Inorganic Assemblies Based on Molybdates and Dimethyltin Linkers Inorganic Chemistry 45(22) (2006) 9014-9019
Space group: P b c m
Cell volume: 1064.3
Cell parameters: 6.5594; 14.2465; 11.3892; 90; 90; 90;  

COD ID: 4333298
CIF file Formula: - C14 H10 Fe N2 -
Comments: Nemykin, Victor N.; Makarova, Elena A.; Grosland, Jeffrey O.; Hadt, Ryan G.; Koposov, Alexey Y. Preparation, characterization, molecular and electronic structures, TDDFT, and TDDFT/PCM study of the solvatochromism in cyanovinylferrocenes. Inorganic chemistry 46(23) (2007) 9591-9601
Space group: P b c m
Cell volume: 1161.7
Cell parameters: 7.6334; 13.929; 10.926; 90; 90; 90;  


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