Crystallography Open Database

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COD ID: 1000167
CIF file Formula: - F6 Li2 Ti -
Comments: Portier, J; Tressaud, A; Menil, F; Claverie, J; de Pape, R; Hagenmueller, P Sur quelques composes fluores a structure rutile et trirutile Journal of Solid State Chemistry 1 (1969) 100-102
Space group: P 42/m n m
Cell volume: 191.5
Cell parameters: 4.63; 4.63; 8.935; 90; 90; 90;  

COD ID: 1000273
CIF file Formula: - Al F4 H3.72 N0.93 Rb0.07 -
Comments: Jouanneaux, A; Leble, A; Pannetier, J; Fourquet, J L A neutron powder diffraction study of Rb~x~ (N H~4~)~1-x~ Al F~4~ mixed compounds Journal of Physics: Condensed Matter 1 (1989) 1577-1588
Space group: I 4/m c m
Cell volume: 329.4
Cell parameters: 5.0881; 5.0881; 12.7245; 90; 90; 90;  

COD ID: 1000274
CIF file Formula: - Al F4 H3.6 N0.9 Rb0.1 -
Comments: Jouanneaux, A; Leble, A; Pannetier, J; Fourquet, J L A neutron powder diffraction study of Rb~x~ (N H~4~)~1-x~ Al F~4~ mixed compounds Journal of Physics: Condensed Matter 1 (1989) 1577-1588
Space group: I 4/m c m
Cell volume: 329.4
Cell parameters: 5.0893; 5.0893; 12.7177; 90; 90; 90;  

COD ID: 1000275
CIF file Formula: - Al F4 H3.88 N0.97 Rb0.03 -
Comments: Jouanneaux, A; Leble, A; Pannetier, J; Fourquet, J L A neutron powder diffraction study of Rb~x~ (N H~4~)~1-x~ Al F~4~ mixed compounds Journal of Physics: Condensed Matter 1 (1989) 1577-1588
Space group: P 42/m b c
Cell volume: 325
Cell parameters: 5.0569; 5.0569; 12.7091; 90; 90; 90;  

COD ID: 1000276
CIF file Formula: - Al F4 H3.72 N0.93 Rb0.07 -
Comments: Jouanneaux, A; Leble, A; Pannetier, J; Fourquet, J L A neutron powder diffraction study of Rb~x~ (N H~4~)~1-x~ AL F~4~ mixed compounds Journal of Physics: Condensed Matter 1 (1989) 1577-1588
Space group: I 4/m c m
Cell volume: 324.9
Cell parameters: 5.0579; 5.0579; 12.7003; 90; 90; 90;  

COD ID: 1000277
CIF file Formula: - Al F4 H3.6 N0.9 Rb0.1 -
Comments: Jouanneaux, A; Leble, A; Pannetier, J; Fourquet, J L A neutron powder diffraction study of Rb~x~ (N H~4~)~1-x~ Al F~4~ mixed compounds Journal of Physics: Condensed Matter 1 (1989) 1577-1588
Space group: I 4/m c m
Cell volume: 325.1
Cell parameters: 5.06; 5.06; 12.6977; 90; 90; 90;  

COD ID: 1000505
CIF file Formula: - Ga H4 O6 P -
Comments: Loiseau, T; Paulet, C; Ferey, G Crystal structure determination of the hydrated gallium phosphate Ga P O4 . 2(H2 O), analog of variscite C. R. Acad. Sci. Paris, T. 1, Serie II 1 (1998) 667-674
Space group: P b c a
Cell volume: 835.2
Cell parameters: 9.926; 8.6189; 9.7622; 90; 90; 90;  

COD ID: 1004114
CIF file Formula: - Ag2 O12 U2 V2 -
Comments: Abraham, F; Dion, C; Tancret, N; Saadi, M Ag2 (U O2)2 V2 O8 : a new compound with the carnotite structure. Synthesis, structure and properties Advanced Materials Research 1 (1994) 511-520
Space group: P 1 21/c 1
Cell volume: 504.2
Cell parameters: 5.8952; 8.3541; 10.4142; 90; 100.56; 90;  

COD ID: 1008157
CIF file Formula: - Al2 Ca3 H12 O12 -
Comments: Cohen-Addad, P D; Ducros, P; Durif-Varambon, A; Bertaut, E F; Delapalme, A Etude de la Position des Atomes d'Hydrogene dans l'Hydrogenat Al~2~ O~3~ (Ca O)~3~ (H~2~ O)~6~ Solid State Communications 1 (1963) 85-87
Space group: I a -3 d
Cell volume: 1986.1
Cell parameters: 12.57; 12.57; 12.57; 90; 90; 90;  

COD ID: 1008268
CIF file Formula: - Cd Cs4 F12 Ni3 -
Comments: Dance, J M; Kerkouri, N; Soubeyroux, J L; Darriet, J; Tressaud, A Cationic substitutions in fluorides of hexagonal Perovskite type. III. The Cs Ni~1-x~ Cd~x~ F3 system. Crystal chemistry and trimeric magnetic interactions in Cs Ni~.75~ Cd~.25~ F~3~ Materials Letters 1 (1982) 49-52
Space group: R -3 m :H
Cell volume: 1001.9
Cell parameters: 6.21; 6.21; 30; 90; 90; 120;  

COD ID: 1008525
CIF file Formula: - As6 In4 K4 -
Comments: Birdwishtell, T L T; Klein, C L; Jeffries, T; Stevens, E D; O'Connor, C J Synthesis and crystal structures of the layered I-III-V Zintl phases, K~4~In~4~X~6~, where X=As, Sb Journal of Materials Chemistry 1(4) (1991) 555-558
Space group: P 1 21/c 1
Cell volume: 1607.6
Cell parameters: 14.323; 7.106; 15.795; 90; 90.3; 90;  

COD ID: 1008526
CIF file Formula: - In4 K4 Sb6 -
Comments: Birdwishtell, T L T; Klein, C L; Jeffries, T; Stevens, E D; O'Connor, C J Synthesis and crystal structures of the layered I-III-V Zintl phases, K~4~In~4~X~6~, where X=As, Sb Journal of Materials Chemistry 1(4) (1991) 555-558
Space group: P 1 21/c 1
Cell volume: 1936.3
Cell parameters: 15.288; 7.544; 16.79; 90; 90.54; 90;  

COD ID: 1008727
CIF file Formula: - Cu0.5 O12 P3 Ti2 -
Comments: Olazcuaga, R; Le Flem, G; Boireau, A; Soubeyroux, J L The structure of the high temperature forms of Cu(II)0.5 Ti2 (P O4)3 and D0.5 Cu(I)0.5 Zr2 (P O4)3 Advanced Materials Research 1 (1994) 177-188
Space group: R -3 :H
Cell volume: 1356.2
Cell parameters: 8.46; 8.46; 21.87999; 90; 90; 120;  

COD ID: 1008728
CIF file Formula: - Cu0.516 D0.36 O12 P3 Zr2 -
Comments: Olazcuaga, R; Le Flem, G; Boireau, A; Soubeyroux, J L The structure of the high temperature forms of Cu(II)0.5 Ti2 (P O4)3 and D0.5 Cu(I)0.5 Zr2 (P O4)3 Advanced Materials Research 1 (1994) 177-188
Space group: R -3 c :H
Cell volume: 1509.9
Cell parameters: 8.84; 8.84; 22.31; 90; 90; 120;  

COD ID: 1009020
CIF file Formula: - Mn3 N0.2 Rh -
Comments: Kren, E; Kadar, G; Barberon, M; Fruchart, R Neutron diffraction study of the hexagonal nitrides Mn3 Rh N0.2 and Mn3 Pt N0.25 International Journal of Magnetism 1 (1971) 341-344
Space group: P 63/m m c
Cell volume: 114.5
Cell parameters: 5.45; 5.45; 4.45; 90; 90; 120;  

COD ID: 1009021
CIF file Formula: - Mn3 N0.25 Pt -
Comments: Kren, E; Kadar, G; Barberon, M; Fruchart, R Neutron diffraction study of the hexagonal nitrides Mn3 Rh N0.2 and Mn3 Pt N0.25 International Journal of Magnetism 1 (1971) 341-344
Space group: P 63/m m c
Cell volume: 117.9
Cell parameters: 5.5; 5.5; 4.5; 90; 90; 120;  

COD ID: 1009030
CIF file Formula: - Na2 O4 Si Zn -
Comments: Joubert-Bettan, C A; Lachenal, R; Bertaut, E F; Parthe, E The crystal structures of Na2 Zn Si O4, Na2 Zn Ge O4 and Na2 Mg Ge O4 Journal of Solid State Chemistry 1 (1969) 1-5
Space group: P 1 n 1
Cell volume: 200.1
Cell parameters: 7.02; 5.44; 5.24; 90; 90.1; 90;  

COD ID: 1009047
CIF file Formula: - Mn3 N0.25 Pt -
Comments: Kren, E; Barberon, M M; Fruchart, R Neutron diffraction study of the hexagonal nitrides Mn3 Rh N0.2 and Mn3 Pt N0.25 International Journal of Magnetism 1 (1971) 341-344
Space group: P 63/m m c
Cell volume: 117.7
Cell parameters: 5.496; 5.496; 4.5; 90; 90; 120;  

COD ID: 1009049
CIF file Formula: - Mn3 N0.2 Rh -
Comments: Kren, E; Barberon, M M; Fruchart, R Neutron diffraction study of the hexagonal nitrides Mn3 Rh N0.2 and Mn3 Pt N0.25 International Journal of Magnetism 1 (1971) 341-344
Space group: P 63/m m c
Cell volume: 114.5
Cell parameters: 5.45; 5.45; 4.45; 90; 90; 120;  

COD ID: 1009057
CIF file Formula: - Ge Na2 O4 Zn -
Comments: Joubert-Bettan, C A; Lachenal, R; Bertaut, E F; Parthe, E The crystal structures of Na2 Zn Si O4, Na2 Zn Ge O4 and Na2 Mg Ge O4 Journal of Solid State Chemistry 1 (1969) 1-5
Space group: P 1 n 1
Cell volume: 212.1
Cell parameters: 7.17; 5.56; 5.32; 90; 90.1; 90;  

COD ID: 1010636
CIF file Formula: - Cl6 K2 Pt -
Comments: Stoll, P Raumgitter von Komplexsalzen Diss. ETH Zuerich 1 (1926) 1-46
Space group: F m -3 m
Cell volume: 895.8
Cell parameters: 9.64; 9.64; 9.64; 90; 90; 90;  

COD ID: 1010637
CIF file Formula: - Br6 Pd Rb2 -
Comments: Stoll, P Raumgitter von Komplexsalzen Diss. ETH Zuerich 1 (1926) 1-46
Space group: F m -3 m
Cell volume: 1006
Cell parameters: 10.02; 10.02; 10.02; 90; 90; 90;  

COD ID: 1010638
CIF file Formula: - Cl2 H18 N6 Ni -
Comments: Stoll, P Raumgitter von Komplexsalzen Diss. ETH Zuerich 1 (1926) 1-46
Space group: F m -3 m
Cell volume: 1045.7
Cell parameters: 10.15; 10.15; 10.15; 90; 90; 90;  

COD ID: 1010639
CIF file Formula: - Cl2 Co H18 N6 -
Comments: Stoll, P Raumgitter von Komplexsalzen Diss. ETH Zuerich 1 (1926) 1-46
Space group: F m -3 m
Cell volume: 961.5
Cell parameters: 9.87; 9.87; 9.87; 90; 90; 90;  

COD ID: 1010640
CIF file Formula: - Co H18 I2 N6 -
Comments: Stoll, P Raumgitter von Komplexsalzen Diss. ETH Zuerich 1 (1926) 1-46
Space group: F m -3 m
Cell volume: 1302.2
Cell parameters: 10.92; 10.92; 10.92; 90; 90; 90;  

COD ID: 1010641
CIF file Formula: - Co H18 I3 N6 -
Comments: Stoll, P Raumgitter von Komplexsalzen Diss. ETH Zuerich 1 (1926) 1-46
Space group: P n -3 m :2
Cell volume: 1302.2
Cell parameters: 10.92; 10.92; 10.92; 90; 90; 90;  

COD ID: 1011016
CIF file Formula: - C H Na O3 -
Comments: Zachariasen, W. H. The Crystal Lattice of Sodium Bicarbonate, Na H C O3 Journal of Chemical Physics 1 (1933) 634-639
Space group: P 1 21/n 1
Cell volume: 256.7
Cell parameters: 7.51; 9.7; 3.53; 90; 93.32; 90;  

COD ID: 1011023
CIF file Formula: - H2 O -
Comments: Bernal, J D; Fowler, R H A Theory of Water and Ionic Solution, with Particular Reference to Hydrogen and Hydroxyl Ions Journal of Chemical Physics 1 (1933) 515-548
Space group: P 63 c m
Cell volume: 389.8
Cell parameters: 7.82; 7.82; 7.36; 90; 90; 120;  

COD ID: 1011163
CIF file Formula: - Fe0.911 O -
Comments: Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics 1 (1933) 29-36
Space group: F m -3 m
Cell volume: 78.5
Cell parameters: 4.2816; 4.2816; 4.2816; 90; 90; 90;  

COD ID: 1011164
CIF file Formula: - Fe0.918 O -
Comments: Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics 1 (1933) 29-36
Space group: F m -3 m
Cell volume: 78.7
Cell parameters: 4.2847; 4.2847; 4.2847; 90; 90; 90;  

COD ID: 1011165
CIF file Formula: - Fe0.929 O -
Comments: Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics 1 (1933) 29-36
Space group: F m -3 m
Cell volume: 79
Cell parameters: 4.2909; 4.2909; 4.2909; 90; 90; 90;  

COD ID: 1011166
CIF file Formula: - Fe0.932 O -
Comments: Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics 1 (1933) 29-36
Space group: F m -3 m
Cell volume: 79
Cell parameters: 4.2909; 4.2909; 4.2909; 90; 90; 90;  

COD ID: 1011167
CIF file Formula: - Fe0.944 O -
Comments: Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics 1 (1933) 29-36
Space group: F m -3 m
Cell volume: 79.5
Cell parameters: 4.2997; 4.2997; 4.2997; 90; 90; 90;  

COD ID: 1011168
CIF file Formula: - Fe0.944 O -
Comments: Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics 1 (1933) 29-36
Space group: F m -3 m
Cell volume: 79.6
Cell parameters: 4.301; 4.301; 4.301; 90; 90; 90;  

COD ID: 1011169
CIF file Formula: - Fe O -
Comments: Jette, E R; Foote, F An x-ray study of the wuestite (Fe O) solid solutions Journal of Chemical Physics 1 (1933) 29-36
Space group: F m -3 m
Cell volume: 81.3
Cell parameters: 4.332; 4.332; 4.332; 90; 90; 90;  

COD ID: 1100307
CIF file Formula: - C30 H38 N2 O5 -
Comments: Reetz, M. T.; Wünsch, T.; Harms, K. Stereoselective synthesis of α,γ-diamino-β-hydroxy amino acid esters: A new class of amino acids Tetrahedron: Asymmetry 1(6) (1990) 371-374
Space group: P -1
Cell volume: 1452.04
Cell parameters: 9.617; 11.345; 15.09; 97.07; 108.05; 107.29;  

COD ID: 1501635
CIF file Formula: - C25 H12 Br4 -
Comments: Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State. CheM 1 (2011) 52-12369
Space group: A b a 2
Cell volume: 2290.1
Cell parameters: 10.0693; 13.9976; 16.2481; 90; 90; 90;  

COD ID: 1501636
CIF file Formula: - C29 H16 Br16 -
Comments: Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State. CheM 1 (2011) 52-12369
Space group: P 42/n :2
Cell volume: 1979.07
Cell parameters: 13.5519; 13.5519; 10.7761; 90; 90; 90;  

COD ID: 1501637
CIF file Formula: - C27 H18 Br6 -
Comments: Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State. CheM 1 (2011) 52-12369
Space group: P 1 21/n 1
Cell volume: 5344.9
Cell parameters: 19.2957; 13.8813; 20.0269; 90; 94.857; 90;  

COD ID: 1501638
CIF file Formula: - C26 H18 Br2 -
Comments: Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State. CheM 1 (2011) 52-12369
Space group: P 1 21/n 1
Cell volume: 2087.52
Cell parameters: 10.384; 17.969; 11.188; 90; 90.38; 90;  

COD ID: 1501639
CIF file Formula: - C27 H21 Br -
Comments: Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State. CheM 1 (2011) 52-12369
Space group: P 1 21/n 1
Cell volume: 2059.18
Cell parameters: 10.4523; 17.8465; 11.039; 90; 90.004; 90;  

COD ID: 1501640
CIF file Formula: - C26 H18 Br4 Cl2 N4 -
Comments: Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State. CheM 1 (2011) 52-12369
Space group: C 1 2/c 1
Cell volume: 5509
Cell parameters: 17.865; 19.788; 16.886; 90; 112.641; 90;  

COD ID: 1506342
CIF file Formula: - C22 H17 F6 N3 O3 P Re -
Comments: Stoyanov, Stanislav R.; Villegas, John M.; Cruz, Arvin J.; Lockyear, Loranelle L.; Reibenspies, Joseph H.; Rillema, D. Paul Computational and Spectroscopic Studies of Re(I) Bipyridyl Complexes Containing 2,6-Dimethylphenylisocyanide (CNx) Ligand Journal of Chemical Theory and Computation 1(1) (2005) 95
Space group: P 1 21/n 1
Cell volume: 2433.1
Cell parameters: 8.9203; 12.925; 21.104; 90; 90.521; 90;  

COD ID: 1507555
CIF file Formula: - C23 H33 N2 O7 P S -
Comments: Amspacher, David R.; Blanchard, Carol Z.; Fronczek, Frank R.; Saraiva, Marcelo C.; Waldrop, Grover L.; Strongin, Robert M. Synthesis of a Reaction Intermediate Analogue of Biotin-Dependent Carboxylases via a Selective Derivatization of Biotin Organic Letters 1(1) (1999) 99
Space group: P 1 21 1
Cell volume: 1308.5
Cell parameters: 10.546; 12.55; 10.674; 90; 112.15; 90;  

COD ID: 1507556
CIF file Formula: - C26 H42 N2 O3 -
Comments: Allen, Annette D.; Cheng, Bernice; Fenwick, Michael H.; Huang, Wen-wei; Missiha, Sharif; Tahmassebi, Daryoush; Tidwell, Thomas T. Radical Additions of TEMPO to Ketenes: Correlation of Free Radical and Nucleophilic Reactivity Organic Letters 1(5) (1999) 693
Space group: P -1
Cell volume: 1270.9
Cell parameters: 7.4729; 12.4337; 14.4929; 79.296; 80.363; 75.546;  

COD ID: 1507557
CIF file Formula: - C6 H8 Br N3 O2 -
Comments: Murphy, Sean T.; Bencsik, Josef R.; Johnson, Carl R. Enantioselective Synthesis of (−)-LL-C10037α from Benzoquinone Organic Letters 1(9) (1999) 1483
Space group: P 1 21/c 1
Cell volume: 1753.65
Cell parameters: 17.6335; 11.7727; 8.5975; 90; 100.718; 90;  

COD ID: 1507558
CIF file Formula: - C6 H8 Br N3 O3 -
Comments: Murphy, Sean T.; Bencsik, Josef R.; Johnson, Carl R. Enantioselective Synthesis of (−)-LL-C10037α from Benzoquinone Organic Letters 1(9) (1999) 1483
Space group: P 1 21/c 1
Cell volume: 1765.39
Cell parameters: 17.4244; 11.7782; 8.6105; 90; 92.531; 90;  

COD ID: 1507559
CIF file Formula: - C8 H14 N4 O4 -
Comments: Schmuck, Carsten; Lex, Johann Acetate Binding within a Supramolecular Network Formed by a Guanidiniocarbonyl Pyrrole Cation in the Solid State Organic Letters 1(11) (1999) 1779
Space group: P -1
Cell volume: 564.51
Cell parameters: 8.36; 8.462; 8.558; 103.18; 105.09; 93.46;  

COD ID: 1508363
CIF file Formula: - C94 H88 N24 Ni6 O19 S2 -
Comments: Zheng, Xiao-Feng; Zhu, Long-Guan An Unsymmetrical Trinickel Metal Complex with 4-Sulfobenzoate Axial Ligand: [Ni3(dpa)4(4-sb)(H2O)]x3H2O Crystals 1(3) (2011) 120-127
Space group: P b c n
Cell volume: 11276.4
Cell parameters: 15.525; 22.703; 31.993; 90; 90; 90;  

COD ID: 1508364
CIF file Formula: - C11 H13 N7 -
Comments: Dolzhenko, Anton V.; Tan, Geok Kheng; Koh, Lip Lin; Dolzhenko, Anna V.; Chui, Wai Keung Molecular and Crystal Structure of 7,7-Dimethyl-2-pyridin-4-yl-6,7-dihydro-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine [1] Crystals 1(3) (2011) 136-144
Space group: P 1 21/n 1
Cell volume: 1189.06
Cell parameters: 7.3326; 19.4897; 8.6586; 90; 106.069; 90;  

COD ID: 1508365
CIF file Formula: - C21 H24 N2 O5 -
Comments: Alfonso, Ignacio; Bolte, Michael; Burguete, M. Isabel; Luis, Santiago V. Crystal Structure of the N-Benzyloxycarbonyl-alanyl-phenylalanyl-methyl Ester: The Importance of the H-Bonding Pattern Crystals 1(3) (2011) 163-170
Space group: P 21 21 21
Cell volume: 2008.3
Cell parameters: 5.0655; 8.4614; 46.856; 90; 90; 90;  

COD ID: 1508366
CIF file Formula: - C15 H12 N2 O2 S -
Comments: Saeed, Aamer; ul Mahmood, Shams; Ishida, H. Synthesis and Crystal Structure of 3-(4-Methoxyphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one Crystals 1(3) (2011) 171-177
Space group: P 1 21 1
Cell volume: 659.97
Cell parameters: 9.9349; 6.3377; 10.5783; 90; 97.752; 90;  

COD ID: 1508367
CIF file Formula: - C24 H32 I2 O8 -
Comments: Walbaum, Christine; Pantenburg, Ingo; Meyer, Gerd Iodine Molecules Included in the Structure of Dibenzo-24-Crown-8, (I2)@(db24c8) Crystals 1(4) (2011) 215-219
Space group: P -1
Cell volume: 671.1
Cell parameters: 4.8499; 12.037; 12.804; 64.561; 86.815; 83.893;  

COD ID: 1508369
CIF file Formula: - C22 H23 N O5 -
Comments: Petrov, Anna; Jones, Roderick C.; Vaughan, Douglas G.; Lough, Alan J.; Gossage, Robert A. The Crystal and Molecular Structure of (2Z)-2-[3-(4-Methoxybenzoyl)-4,4-dimethyl-1,2-oxazolidin-2-ylidene]-1-(4-methoxyphenyl)ethanone Crystals 1(4) (2011) 229-235
Space group: P 1 21/c 1
Cell volume: 3883.5
Cell parameters: 20.941; 8.7523; 21.2291; 90; 93.529; 90;  

COD ID: 1508370
CIF file Formula: - C5 H19.47 N2 O5.24 P -
Comments: Harrison, William T. A. Supramolecular Hydrogen-Bond Motifs in Chiral and Racemic Molecular Salts: A Comparison of (S)-2-Methyl Piperizinium Hydrogen Phosphite Monohydrate, C5H14N2·HPO3·H2O and (R,S)-2-Methyl Piperizinium Hydrogen Phosphite 2.23 Hydrate, C5H14N2·HPO3·2.23H2O Crystals 1(4) (2011) 236-243
Space group: R -3 :H
Cell volume: 5174.5
Cell parameters: 31.075; 31.075; 6.1875; 90; 90; 120;  

COD ID: 1508371
CIF file Formula: - C5 H17 N2 O4 P -
Comments: Harrison, William T. A. Supramolecular Hydrogen-Bond Motifs in Chiral and Racemic Molecular Salts: A Comparison of (S)-2-Methyl Piperizinium Hydrogen Phosphite Monohydrate, C5H14N2 HPO3 H2O and (R,S)-2-Methyl Piperizinium Hydrogen Phosphite 2.23 Hydrate, C5H14N2 HPO3 2 23H2O Crystals 1(4) (2011) 236-243
Space group: P 21 21 21
Cell volume: 953.6
Cell parameters: 8.564; 9.593; 11.607; 90; 90; 90;  

COD ID: 1508372
CIF file Formula: - C14 H9 F N2 O S -
Comments: Saeed, Aamer; Flörke, Ulrich Synthesis and Crystal Structure of 1-(3-Fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one Crystals 1(4) (2011) 254-259
Space group: P n a 21
Cell volume: 2471.2
Cell parameters: 22.43; 8.1478; 13.522; 90; 90; 90;  

COD ID: 1508403
CIF file Formula: - C25 H17 Mo N5 O3 -
Comments: Budge, Matthew G.; Muir, Kathleen J.; McQuillan, Geoffrey P.; Harrison, William T.A. Short Intramolecular N-H...C(carbonyl) Interactions in Mixed-Ligand Molybdenum Hexacarbonyl Derivatives Crystals 1(2) (2012) 47-58
Space group: P 1 21/n 1
Cell volume: 2285.31
Cell parameters: 11.0965; 13.0586; 16.6135; 90; 108.324; 90;  

COD ID: 1508404
CIF file Formula: - C31 H21 Mo N5 O3 -
Comments: Budge, Matthew G.; Muir, Kathleen J.; McQuillan, Geoffrey P.; Harrison, William T.A. Short Intramolecular N-H...C(carbonyl) Interactions in Mixed-Ligand Molybdenum Hexacarbonyl Derivatives Crystals 1(2) (2012) 47-58
Space group: P 1 21/n 1
Cell volume: 2613.9
Cell parameters: 11.4788; 19.073; 11.9881; 90; 95.179; 90;  

COD ID: 1508405
CIF file Formula: - C24 H19 Mo N5 O3 -
Comments: Budge, Matthew G.; Muir, Kathleen J.; McQuillan, Geoffrey P.; Harrison, William T.A. Short Intramolecular N-H...C(carbonyl) Interactions in Mixed-Ligand Molybdenum Hexacarbonyl Derivatives Crystals 1(2) (2012) 47-58
Space group: P 1 21/n 1
Cell volume: 2268.12
Cell parameters: 8.4222; 21.5966; 12.5011; 90; 94.065; 90;  

COD ID: 1508406
CIF file Formula: - C H2 Ba O5 P -
Comments: Iveson, Samuel J.; Johnston, Chloe B.; Harrison, William T.A. Barium Oxalates Combined with Oxo-Anions and Organic Cations: Syntheses and Structures of Ba2(C2O4)(H2PO3)2 and C2H10N2 Ba(H2O)2(HC2O4)4 Crystals 1(2) (2012) 59-68
Space group: C 1 2/c 1
Cell volume: 986.1
Cell parameters: 12.3829; 7.9124; 11.0858; 90; 114.788; 90;  

COD ID: 1508407
CIF file Formula: - C10 H18 Ba N2 O18 -
Comments: Iveson, Samuel J.; Johnston, Chloe B.; Harrison, William T.A. Barium Oxalates Combined with Oxo-Anions and Organic Cations: Syntheses and Structures of Ba2(C2O4)(H2PO3)2 and C2H10N2 Ba(H2O)2(HC2O4)4 Crystals 1(2) (2012) 59-68
Space group: C 1 2/m 1
Cell volume: 900.62
Cell parameters: 12.7393; 13.0111; 5.605; 90; 104.208; 90;  

COD ID: 1508408
CIF file Formula: - Ba Lu2 S4 -
Comments: Schurz, Christian M.; Schleid, Thomas Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure Crystals 1(3) (2012) 78-86
Space group: P n m a
Cell volume: 684.2
Cell parameters: 12.1143; 3.9556; 14.2781; 90; 90; 90;  

COD ID: 1508409
CIF file Formula: - Ba Lu2 Se4 -
Comments: Schurz, Christian M.; Schleid, Thomas Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure Crystals 1(3) (2012) 78-86
Space group: P n m a
Cell volume: 771.04
Cell parameters: 12.6132; 4.1089; 14.8774; 90; 90; 90;  

COD ID: 1508410
CIF file Formula: - Ba Lu2 Te4 -
Comments: Schurz, Christian M.; Schleid, Thomas Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure Crystals 1(3) (2012) 78-86
Space group: P n m a
Cell volume: 945.82
Cell parameters: 13.5358; 4.3847; 15.9362; 90; 90; 90;  

COD ID: 1508411
CIF file Formula: - As7 Cs2 Na -
Comments: Hua, He; Chauntae, Tyson; Svilen, Bobev New Compounds with [As7]3- Clusters: Synthesis and Crystal Structures of the Zintl Phases Cs2NaAs7, Cs4ZnAs14 and Cs4CdAs14 Crystals 1(3) (2012) 87-98
Space group: P 1 21/c 1
Cell volume: 1304.1
Cell parameters: 11.7671; 10.8528; 10.2115; 90; 90.213; 90;  

COD ID: 1508412
CIF file Formula: - As14 Cd Cs4 -
Comments: Hua, He; Chauntae, Tyson; Svilen, Bobev New Compounds with [As7]3- Clusters: Synthesis and Crystal Structures of the Zintl Phases Cs2NaAs7, Cs4ZnAs14 and Cs4CdAs14 Crystals 1(3) (2012) 87-98
Space group: P 1 21/c 1
Cell volume: 2552.5
Cell parameters: 10.608; 16.761; 14.363; 90; 91.785; 90;  

COD ID: 1508413
CIF file Formula: - As14 Cs4 Zn -
Comments: Hua, He; Chauntae, Tyson; Svilen, Bobev New Compounds with [As7]3- Clusters: Synthesis and Crystal Structures of the Zintl Phases Cs2NaAs7, Cs4ZnAs14 and Cs4CdAs14 Crystals 1(3) (2012) 87-98
Space group: P 1 21/c 1
Cell volume: 10309.9
Cell parameters: 29.067; 10.4714; 43.039; 90; 128.092; 90;  

COD ID: 1508414
CIF file Formula: - Cl6 Mo Na3 -
Comments: Beran, Martin; Meyer, Gerd Crystal Structure of Na3MoCl6 Crystals 1(3) (2012) 99-103
Space group: P -3 1 c
Cell volume: 501
Cell parameters: 6.8712; 6.8712; 12.2531; 90; 90; 120;  

COD ID: 1508415
CIF file Formula: - Ba Sn3 -
Comments: Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen Indium Doping in BaSn3-x Inx (0 <= x <= 0.2) with Ni3Sn Structure Crystals 1(3) (2012) 104-111
Space group: P 63/m m c
Cell volume: 247.44
Cell parameters: 7.2279; 7.2279; 5.469; 90; 90; 120;  

COD ID: 1508416
CIF file Formula: - Ba In0.2 Sn2.8 -
Comments: Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen Indium Doping in BaSn3-x Inx (0 <= x <= 0.2) with Ni3Sn Structure Crystals 1(3) (2012) 104-111
Space group: P 63/m m c
Cell volume: 245.69
Cell parameters: 7.2604; 7.2604; 5.382; 90; 90; 120;  

COD ID: 1508417
CIF file Formula: - Ba Ga1.79 Sn4.21 -
Comments: Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen Ternary Compounds in the Sn-Rich Section of the Ba-Ga-Sn System: Ba8Ga16-xSn30+x (1.1 <= x <= 2.8) Clathrates of Type-I and Type-VIII, and BaGa2-xSn4+x (x ? 0.2) with a Clathrate-like Structure Crystals 1(3) (2012) 145-162
Space group: C m c m
Cell volume: 799.06
Cell parameters: 4.5383; 12.2486; 14.3747; 90; 90; 90;  

COD ID: 1508418
CIF file Formula: - Ba8 Ga14.5 Sn31.5 -
Comments: Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen Ternary Compounds in the Sn-Rich Section of the Ba-Ga-Sn System: Ba8Ga16-xSn30+x (1.1 <= x <= 2.8) Clathrates of Type-I and Type-VIII, and BaGa2-xSn4+x (x ? 0.2) with a Clathrate-like Structure Crystals 1(3) (2012) 145-162
Space group: P m -3 n
Cell volume: 1593.4
Cell parameters: 11.68; 11.68; 11.68; 90; 90; 90;  

COD ID: 1508419
CIF file Formula: - Ba8 Ga13.2 Sn32.8 -
Comments: Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen Ternary Compounds in the Sn-Rich Section of the Ba-Ga-Sn System: Ba8Ga16-xSn30+x (1.1 <= x <= 2.8) Clathrates of Type-I and Type-VIII, and BaGa2-xSn4+x (x ? 0.2) with a Clathrate-like Structure Crystals 1(3) (2012) 145-162
Space group: I -4 3 m
Cell volume: 1554.57
Cell parameters: 11.5843; 11.5843; 11.5843; 90; 90; 90;  

COD ID: 1508420
CIF file Formula: - C24 H20 N6 Ni O8 -
Comments: Prior, Timothy J.; Rujiwatra, Apinpus; Chimupala, Yothin [Ni(1,10-phenanthroline)2(H2O)2](NO3)2: A Simple Coordination Complex with a Remarkably Complicated Structure that Simplifies on Heating Crystals 1(3) (2012) 178-194
Space group: P 1 21/c 1
Cell volume: 14433.3
Cell parameters: 19.032; 47.979; 17.596; 90; 116.066; 90;  

COD ID: 1508421
CIF file Formula: - Ba5 Cd2 O2 Sb4 -
Comments: Darone, Gregory M.; Bobev, Svilen Ba5Cd2Sb4O2, A New Antimonide Oxide with a Complex Structure Crystals 1(3) (2012) 206-214
Space group: C 1 2/m 1
Cell volume: 766.3
Cell parameters: 17.247; 4.9279; 12.24; 90; 132.558; 90;  

COD ID: 1508422
CIF file Formula: - C14 H20 Bi I5 O5 -
Comments: Fiolka, Christoph; Richter, Mark; Pantenburg, Ingo; Mudring, Anja-Verena; Meyer, Gerd (B15c5)BiI3(I2): Molecular Benzo-15-Crown-5‒BiI3 Complexes Bridged by Iodine Molecules to Chains Crystals 1(4) (2012) 220-228
Space group: P 1 21/c 1
Cell volume: 2484.1
Cell parameters: 13.7685; 11.7274; 17.0023; 90; 115.197; 90;  

COD ID: 1509060
CIF file Formula: - Ag0.96 Tm0.04 -
Comments: McMasters, O.D.; Gschneidner, K.A.jr.; Venteicher, R.F.; Alexander, D.G. Factors influencing the formation of silver-rich solid solutions in the rare earth-silver systems Metallurgical Transactions 1 (1970) 1961-1971
Space group: F m -3 m
Cell volume: 69.361
Cell parameters: 4.1087; 4.1087; 4.1087; 90; 90; 90;  

COD ID: 1509113
CIF file Formula: - Ag0.4 Ga1.6 Y -
Comments: Dwight, A.E. The Ca In2-type structure in Y Ag0.4 Ga1.6 Powder Diffraction 1 (1986) 328-329
Space group: P 63/m m c
Cell volume: 123.22
Cell parameters: 4.438; 4.438; 7.224; 90; 90; 120;  

COD ID: 1509798
CIF file Formula: - Ag2 F -
Comments: Williams, A. Neutron powder diffraction study of silver subfluoride Journal of Physics: Condensed Matter 1 (1989) 2569-2574
Space group: P -3 m 1
Cell volume: 43.667
Cell parameters: 2.97735; 2.97735; 5.688; 90; 90; 120;  

COD ID: 1509838
CIF file Formula: - Ag3.64 Sc0.36 -
Comments: Venteicher, R.F.; Alexander, D.G.; Gschneidner, K.A.jr.; McMasters, O.D. Factors influencing the formation of silver-rich solid solutions in the rare earth-silver systems Metallurgical Transactions 1 (1970) 1961-1971
Space group: F m -3 m
Cell volume: 69.3
Cell parameters: 4.1075; 4.1075; 4.1075; 90; 90; 90;  

COD ID: 1509848
CIF file Formula: - Ag3.78 Lu0.18 -
Comments: Alexander, D.G.; McMasters, O.D.; Venteicher, R.F.; Gschneidner, K.A.jr. Factors influencing the formation of silver-rich solid solutions in rare-earth - silver alloy systems Metallurgical Transactions 1 (1970) 1961-1971
Space group: F m -3 m
Cell volume: 69.366
Cell parameters: 4.1088; 4.1088; 4.1088; 90; 90; 90;  

COD ID: 1509865
CIF file Formula: - Ag3.96 Sm0.04 -
Comments: Venteicher, R.F.; Gschneidner, K.A.jr.; McMasters, O.D.; Alexander, D.G. Factors influencing the formation of silver-rich solid solutions in the rare earth-silver systems Metallurgical Transactions 1 (1970) 1961-1971
Space group: F m -3 m
Cell volume: 68.278
Cell parameters: 4.0872; 4.0872; 4.0872; 90; 90; 90;  

COD ID: 1509866
CIF file Formula: - Ag3.96 Tb0.04 -
Comments: Gschneidner, K.A.jr.; Alexander, D.G.; McMasters, O.D.; Venteicher, R.F. Factors influencing the formation of silver-rich solid solutions in the rare earth-silver systems Metallurgical Transactions 1 (1970) 1961-1971
Space group: F m -3 m
Cell volume: 68.383
Cell parameters: 4.0893; 4.0893; 4.0893; 90; 90; 90;  

COD ID: 1509907
CIF file Formula: - Ag44.8 Al85.9968 O422.72 Si106.003 -
Comments: Mortier, W.J.; Gellens, L.R.; Uytterhoeven, J.B. On the nature of the charged silver clusters in zeolites of type A, X and Y Zeolites 1 (1981) 11-18
Space group: F d -3 m :2
Cell volume: 15643.7
Cell parameters: 25.00999; 25.00999; 25.00999; 90; 90; 90;  

COD ID: 1509935
CIF file Formula: - Ag50.88 Al55.5072 O384 Si136.493 -
Comments: Mortier, W.J.; Uytterhoeven, J.B.; Gellens, L.R. Oxidation and reduction of silver in zeolite Y. A structural study Zeolites 1 (1981) 85-90
Space group: F d -3 m :2
Cell volume: 15345.4
Cell parameters: 24.84999; 24.84999; 24.84999; 90; 90; 90;  

COD ID: 1509946
CIF file Formula: - Ag6 Mo10 O33 -
Comments: Leverett, P.; Gatehouse, B.M. The crystal structure of Ag6 Mo10 O33 Journal of Solid State Chemistry 1 (1970) 484-496
Space group: P -1
Cell volume: 671.879
Cell parameters: 7.59; 8.31; 11.42; 82.6; 102.9; 106.4;  

COD ID: 1509955
CIF file Formula: - Ag63.7 Al63.7 O384 Si128.3 -
Comments: Mortier, W.J.; Uytterhoeven, J.B.; Gellens, L.R. Oxidation and reduction of silver in zeolite Y. A structural study Zeolites 1 (1981) 85-90
Space group: F d -3 m :2
Cell volume: 15050.9
Cell parameters: 24.68999; 24.68999; 24.68999; 90; 90; 90;  

COD ID: 1509975
CIF file Formula: - Ag79.7 Al86 O384 Si106 -
Comments: Uytterhoeven, J.B.; Mortier, W.J.; Gellens, L.R. On the nature of the charged silver clusters in zeolites of type A, X and Y Zeolites 1 (1981) 11-18
Space group: F d -3 m :2
Cell volume: 15737.8
Cell parameters: 25.06; 25.06; 25.06; 90; 90; 90;  

COD ID: 1510023
CIF file Formula: - Ag3 O3.984 P0.504 -
Comments: Tofield, B.C.; Newsam, J.M.; Cheetham, A.K. Structural studies of the high-temperature modifications of sodium and silver orthophosphates, II-Na3 P O4 and II-Ag3 P O4, and of the low-temperature form I-Ag3 P O4 Solid State Ionics 1 (1980) 377-393
Space group: F m -3 m
Cell volume: 460.457
Cell parameters: 7.722; 7.722; 7.722; 90; 90; 90;  

COD ID: 1510026
CIF file Formula: - Ag3 O4 P -
Comments: Tofield, B.C.; Cheetham, A.K.; Newsam, J.M. Structural studies of the high-temperature modifications of sodium and silver orthophosphates, II-Na3 P O4 and II-Ag3 P O4, and of the low-temperature form I-Ag3 P O4 Solid State Ionics 1 (1980) 377-393
Space group: P -4 3 n
Cell volume: 222.655
Cell parameters: 6.061; 6.061; 6.061; 90; 90; 90;  

COD ID: 1510129
CIF file Formula: - Au Er Sn -
Comments: Dwight, A.E. Rare earth - Au(Cu) - X compounds with the Fe2 P-, Ca In2-, and Mg Ag As-types Rare Earths in Modern Science and Technology, (Rare Earth Res. Conf.) 1 (1976) 480-489
Space group: F -4 3 m
Cell volume: 288.281
Cell parameters: 6.606; 6.606; 6.606; 90; 90; 90;  

COD ID: 1510142
CIF file Formula: - Au0.06 Cd1.94 -
Comments: King, H.W.; Farrar, R.A. Axial ratios and solubility limits of H.C.P. eta phases in the systems Cd - Au, Cd - Li, and Zn - Li Metallography 1 (1968) 79-90
Space group: P 63/m m c
Cell volume: 42.629
Cell parameters: 2.9811; 2.9811; 5.5389; 90; 90; 120;  

COD ID: 1510158
CIF file Formula: - Au Gd In -
Comments: Dwight, A.E. Rare earth - Au(Cu) - X compounds with the Fe2P-, CaIn2-, and MgAgAs-types Rare Earths in Modern Science and Technology, (Rare Earth Res. Conf.) 1 (1976) 480-489
Space group: P -6 2 m
Cell volume: 204.36
Cell parameters: 7.7; 7.7; 3.98; 90; 90; 120;  

COD ID: 1510161
CIF file Formula: - Au Gd Sn -
Comments: Dwight, A.E. Rare earth - Au(Cu) - X compounds with the Fe2 P-, Ca In2-, and Mg Ag As-types Rare Earths in Modern Science and Technology, (Rare Earth Res. Conf.) 1 (1976) 480-489
Space group: P 63/m m c
Cell volume: 139.731
Cell parameters: 4.66; 4.66; 7.43; 90; 90; 120;  

COD ID: 1510180
CIF file Formula: - Au Ho Sn -
Comments: Dwight, A.E. Rare earth - Au(Cu) - X compounds with the Fe2 P-, Ca In2-, and Mg Ag As-types Rare Earths in Modern Science and Technology, (Rare Earth Res. Conf.) 1 (1976) 480-489
Space group: F -4 3 m
Cell volume: 290.644
Cell parameters: 6.624; 6.624; 6.624; 90; 90; 90;  

COD ID: 1510194
CIF file Formula: - Au In Pd Y -
Comments: Hull, G.W.; Wernick, J.H.; Geballe, T.H.; Waszczak, J.V.; Bernardini, J.E. Superconductivity in ternary Heusler intermetallic compounds Materials Letters 1 (1983) 90-92
Space group: F m -3 m
Cell volume: 318.892
Cell parameters: 6.832; 6.832; 6.832; 90; 90; 90;  

COD ID: 1510303
CIF file Formula: - Au Sn Tm -
Comments: Dwight, A.E. Rare earth- Au (Cu)-X compounds with the Fe2 P-, Ca In2-, and Mg Ag As-types Rare Earths in Modern Science and Technology, (Rare Earth Res. Conf.) 1 (1976) 480-489
Space group: F -4 3 m
Cell volume: 286.321
Cell parameters: 6.591; 6.591; 6.591; 90; 90; 90;  

COD ID: 1510320
CIF file Formula: - Au Yb -
Comments: Palenzona, A.; Iandelli, A. Binary phase diagrams of ytterbium with Cu, Ag and Au Colloques Internationaux du Centre National de la Recherche Scientifique 1 (1970) 159-164
Space group: P m -3 m
Cell volume: 46.037
Cell parameters: 3.584; 3.584; 3.584; 90; 90; 90;  

COD ID: 1510524
CIF file Formula: - Au3.248 Mn0.752 -
Comments: Preston, R.R. Quantitatie siize-factors for gold-manganese solid solutions Journal of Materials Science 1 (1966) 309-310
Space group: F m -3 m
Cell volume: 67.102
Cell parameters: 4.0636; 4.0636; 4.0636; 90; 90; 90;  

COD ID: 1511063
CIF file Formula: - B Co2 -
Comments: Lundstroem, T.; Aronsson, B.; Engstroem, I. Some aspects of the crystal chemistry of borides, carbo-borides and silicides if the transition metals Anisotropy in single-crystal refractory compounds, Proceedings of an international symposium 1 (1968) 3-22
Space group: I 4/m c m
Cell volume: 106.176
Cell parameters: 5.016; 5.016; 4.22; 90; 90; 90;  

COD ID: 1511153
CIF file Formula: - B Fe2 -
Comments: Aronsson, B.; Engstroem, I.; Lundstroem, T. Some aspects of the crystal chemistry of borides, boro-carbides and silicides of the transition metals Anisotropy in single-crystal refractory compounds, Proceedings of an international symposium 1 (1968) 3-22
Space group: I 4/m c m
Cell volume: 110.907
Cell parameters: 5.109; 5.109; 4.249; 90; 90; 90;  

COD ID: 1511411
CIF file Formula: - B15 Na -
Comments: Kasper, J.S.; Naslain, R. The crystal structure of the phi-phase in the boron-sodium system Journal of Solid State Chemistry 1 (1970) 150-151
Space group: I m a m
Cell volume: 506.687
Cell parameters: 5.847; 8.415; 10.298; 90; 90; 90;  

COD ID: 1511538
CIF file Formula: - B5 Co O10 Yb -
Comments: Abdullaev, G.K.; Mamedov, H.C.; Dzhafarov, G.G. The structure of ytterbium and cobalt pentametaborate Yb Co (B O2)5 Azerbaidzhanskii Khimicheskii Zhurnal 1 (1985) 110-114
Space group: P 1 21/n 1
Cell volume: 609.496
Cell parameters: 8.529; 7.607; 9.416; 90; 93.9; 90;  

COD ID: 1511585
CIF file Formula: - B6 Co21 Sb2 -
Comments: Voroshilov, Yu.V.; Kuz'ma, Yu.B.; Cherkashin, E.E. New ternary compounds with W2 Cr21 C6 -type structure Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 1 (1965) 1017-1019
Space group: F m -3 m
Cell volume: 1188.99
Cell parameters: 10.594; 10.594; 10.594; 90; 90; 90;  

COD ID: 1511586
CIF file Formula: - B6 Co21 U2 -
Comments: Kuz'ma, Yu.B.; Voroshilov, Yu.V.; Cherkashin, E.E. New ternary compounds with W2 Cr21 C6-type structure Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 1 (1965) 1017-1019
Space group: F m -3 m
Cell volume: 1182.61
Cell parameters: 10.575; 10.575; 10.575; 90; 90; 90;  

COD ID: 1511628
CIF file Formula: - B6 Ni21 Sb2 -
Comments: Kuz'ma, Yu.B.; Voroshilov, Yu.V.; Cherkashin, E.E. New ternary compounds with W2 Cr21 C6-type structure Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 1 (1965) 1109-1111
Space group: F m -3 m
Cell volume: 1185.97
Cell parameters: 10.585; 10.585; 10.585; 90; 90; 90;  

COD ID: 1511630
CIF file Formula: - B6 Ni21 U2 -
Comments: Kuz'ma, Yu.B.; Cherkashin, E.E.; Voroshilov, Yu.V. New ternary compounds with W2 Cr21 C6-type structure Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 1 (1965) 1017-1019
Space group: F m -3 m
Cell volume: 1206.93
Cell parameters: 10.647; 10.647; 10.647; 90; 90; 90;  

COD ID: 1511645
CIF file Formula: - B6 Si -
Comments: Zhuravlev, N.N. The X-ray structural analysis of Si B6 Kristallografiya 1 (1956) 666-668
Space group: P m -3 m
Cell volume: 70.445
Cell parameters: 4.13; 4.13; 4.13; 90; 90; 90;  

COD ID: 1511662
CIF file Formula: - B7 Cl7 Pr8 -
Comments: Vajenine, G.V.; Mattausch, H.J.; Kremer, R.K.; Oeckler, O.; Simon, A. Pr8 Cl7 B7: preparation, structure, bonding, properties Solid State Sciences 1 (1999) 509-521
Space group: P -1
Cell volume: 883.577
Cell parameters: 7.731; 9.03; 14.194; 81.55; 82.18; 64.76;  

COD ID: 1513566
CIF file

HKL data

 Formula: - C10 H10 N4 O2 -
Comments: Poulain, Agnieszka; Wenger, Emmanuel; Durand, Pierrick; Jarzembska, Katarzyna N.; Kamiński, Radosław; Fertey, Pierre; Kubicki, Maciej; Lecomte, Claude Anharmonicity and isomorphic phase transition: a multi-temperature X-ray single-crystal and powder diffraction study of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole IUCrJ 1(2) (2014) 110-118
Space group: P 1 21/c 1
Cell volume: 2039.77
Cell parameters: 11.0104; 10.0398; 18.604; 90; 97.32; 90;  

COD ID: 1513567
CIF file Formula: - C10 H10 N4 O2 -
Comments: Poulain, Agnieszka; Wenger, Emmanuel; Durand, Pierrick; Jarzembska, Katarzyna N.; Kamiński, Radosław; Fertey, Pierre; Kubicki, Maciej; Lecomte, Claude Anharmonicity and isomorphic phase transition: a multi-temperature X-ray single-crystal and powder diffraction study of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole IUCrJ 1(2) (2014) 110-118
Space group: P 1 21/c 1
Cell volume: 2014.7
Cell parameters: 10.978; 10.006; 18.488; 90; 97.223; 90;  

COD ID: 1513568
CIF file Formula: - C10 H10 N4 O2 -
Comments: Poulain, Agnieszka; Wenger, Emmanuel; Durand, Pierrick; Jarzembska, Katarzyna N.; Kamiński, Radosław; Fertey, Pierre; Kubicki, Maciej; Lecomte, Claude Anharmonicity and isomorphic phase transition: a multi-temperature X-ray single-crystal and powder diffraction study of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole IUCrJ 1(2) (2014) 110-118
Space group: P 1 21/c 1
Cell volume: 2070.5
Cell parameters: 11.047; 10.129; 18.652; 90; 97.223; 90;  

COD ID: 1513569
CIF file Formula: - C44 H40 N6 O4 -
Comments: Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ 1(1) (2014) 8-18
Space group: P -1
Cell volume: 910.38
Cell parameters: 8.7711; 10.0113; 12.0057; 67.978; 78.03; 69.224;  

COD ID: 1513570
CIF file

HKL data

 Formula: - C44 H40 N6 O4 -
Comments: Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ 1(1) (2014) 8-18
Space group: P 1 21/n 1
Cell volume: 5500.2
Cell parameters: 9.2233; 36.2938; 16.5853; 90; 97.827; 90;  

COD ID: 1513572
CIF file Formula: - C44 H40 N6 O4 -
Comments: Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ 1(1) (2014) 8-18
Space group: P 1 21/n 1
Cell volume: 1851
Cell parameters: 9.0828; 12.3446; 16.6095; 90; 96.32; 90;  

COD ID: 1513573
CIF file Formula: - C44 H40 N6 O4 -
Comments: Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ 1(1) (2014) 8-18
Space group: P 1 21/n 1
Cell volume: 1861.08
Cell parameters: 9.118; 12.3427; 16.64; 90; 96.381; 90;  

COD ID: 1513574
CIF file Formula: - C44 H40 N6 O4 -
Comments: Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ 1(1) (2014) 8-18
Space group: P 1 21/n 1
Cell volume: 1893.04
Cell parameters: 9.1938; 12.3828; 16.7311; 90; 96.358; 90;  

COD ID: 1513575
CIF file Formula: - C44 H40 N6 O4 -
Comments: Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ 1(1) (2014) 8-18
Space group: P 1 21/n 1
Cell volume: 5465.9
Cell parameters: 9.2118; 36.2075; 16.5458; 90; 97.923; 90;  

COD ID: 1513576
CIF file Formula: - C17 H16 N2 O2 -
Comments: Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ 1(1) (2014) 8-18
Space group: P 1 21/c 1
Cell volume: 5833
Cell parameters: 17.8201; 8.3288; 39.3222; 90; 91.901; 90;  

COD ID: 1513577
CIF file

HKL data

 Formula: - C6 H4 Cl2 O -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: I 41/a :2
Cell volume: 2588.9
Cell parameters: 26.127; 26.127; 3.7926; 90; 90; 90;  

COD ID: 1513578
CIF file Formula: - C6 H4 Cl2 O -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: I 41/a :2
Cell volume: 2615.6
Cell parameters: 26.186; 26.186; 3.8144; 90; 90; 90;  

COD ID: 1513579
CIF file Formula: - C6 H4 Cl2 O -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: I 41/a :2
Cell volume: 2654.7
Cell parameters: 26.251; 26.251; 3.8524; 90; 90; 90;  

COD ID: 1513580
CIF file Formula: - C6 H4 Br Cl O -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: I 41/a :2
Cell volume: 2709.8
Cell parameters: 26.419; 26.419; 3.8824; 90; 90; 90;  

COD ID: 1513581
CIF file Formula: - C6 H4 Br Cl O -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: I 41/a :2
Cell volume: 2732.7
Cell parameters: 26.465; 26.465; 3.9017; 90; 90; 90;  

COD ID: 1513582
CIF file Formula: - C6 H4 Br Cl O -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: I 41/a :2
Cell volume: 2816
Cell parameters: 26.65; 26.65; 3.965; 90; 90; 90;  

COD ID: 1513583
CIF file Formula: - C6 H4 Br Cl O -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: P 1 21/c 1
Cell volume: 678.8
Cell parameters: 11.457; 4.1113; 15.233; 90; 108.905; 90;  

COD ID: 1513584
CIF file Formula: - C6 H4 Cl I O -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: P 1 21/c 1
Cell volume: 724
Cell parameters: 11.222; 4.263; 15.81; 90; 106.933; 90;  

COD ID: 1513585
CIF file Formula: - C6 H4 Cl I O -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: P 1 21/c 1
Cell volume: 731.2
Cell parameters: 11.242; 4.286; 15.87; 90; 107.016; 90;  

COD ID: 1513586
CIF file Formula: - C6 H4 Cl I O -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: P 1 21/c 1
Cell volume: 740
Cell parameters: 11.26; 4.321; 15.88; 90; 106.74; 90;  

COD ID: 1513587
CIF file Formula: - C6 H4 Br2 O -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: P 1 21/c 1
Cell volume: 700.5
Cell parameters: 11.169; 4.2067; 14.911; 90; 91.07; 90;  

COD ID: 1513588
CIF file Formula: - C7 H3 Cl3 O3 -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: P 1 21/c 1
Cell volume: 834.1
Cell parameters: 4.9531; 24.02; 8.007; 90; 118.88; 90;  

COD ID: 1513589
CIF file Formula: - C7 H3 Cl3 O3 -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: P 1 21/c 1
Cell volume: 843.8
Cell parameters: 4.9712; 24.094; 8.0459; 90; 118.884; 90;  

COD ID: 1513590
CIF file Formula: - C7 H3 Cl3 O3 -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: P 1 21/c 1
Cell volume: 855.9
Cell parameters: 4.979; 24.298; 8.0971; 90; 119.108; 90;  

COD ID: 1513591
CIF file Formula: - C7 H5 Cl O2 -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: P -1
Cell volume: 331.03
Cell parameters: 3.8017; 6.1607; 14.208; 92.417; 94.718; 92.286;  

COD ID: 1513592
CIF file Formula: - C7 H5 Cl O2 -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: P -1
Cell volume: 333.63
Cell parameters: 3.8208; 6.1785; 14.209; 92.591; 94.866; 91.978;  

COD ID: 1513593
CIF file Formula: - C7 H5 Cl O2 -
Comments: Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ 1(1) (2014) 49-60
Space group: P -1
Cell volume: 341.2
Cell parameters: 3.8686; 6.227; 14.243; 92.794; 95.149; 91.493;  

COD ID: 1513768
CIF file Formula: - C73 H49 Cl3 N9 P3 -
Comments: Nishimoto, Takuro; Yasuda, Takuma; Lee, Sae Youn; Kondo, Ryosuke; Adachi, Chihaya A six-carbazole-decorated cyclophosphazene as a host with high triplet energy to realize efficient delayed-fluorescence OLEDs Materials Horizons 1(2) (2014) 264
Space group: P 1 21/n 1
Cell volume: 6391.4
Cell parameters: 11.7629; 25.0523; 21.7142; 90; 92.779; 90;  

COD ID: 1513769
CIF file Formula: - C26 H20 -
Comments: Parrott, Edward P. J.; Tan, Nicholas Y.; Hu, Rongrong; Zeitler, J. Axel; Tang, Ben Zhong; Pickwell-MacPherson, Emma Direct evidence to support the restriction of intramolecular rotation hypothesis for the mechanism of aggregation-induced emission: temperature resolved terahertz spectra of tetraphenylethene Materials Horizons 1(2) (2014) 251
Space group: P 1 21 1
Cell volume: 956.34
Cell parameters: 9.837; 9.5017; 10.7087; 90; 107.165; 90;  

COD ID: 1514231
CIF file Formula: - Mn O -
Comments: Goldschmidt, V. M.; Barth, T.; Holmsen, D.; Lunde, G.; Zachariasen, W. Geochemische Verteilungsgesetze VI. Ueber die Kristallstrukturen vom Rutiltypus, mit Bemerkungen zur Geochemie zweiwertiger und vierwertiger Elemente Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk-Naturvidenskapelig Klasse 1 (1926) 5-21
Space group: F m -3 m
Cell volume: 87.528
Cell parameters: 4.44; 4.44; 4.44; 90; 90; 90;  

COD ID: 1514322
CIF file Formula: - C6 H8 Co O4 -
Comments: Saines, Paul J.; Barton, Phillip T.; Jura, Marek; Knight, Kevin S.; Cheetham, Anthony K. Cobalt adipate, Co(C6H8O4): antiferromagnetic structure, unusual thermal expansion and magnetoelastic coupling Materials Horizons 1(3) (2014) 332
Space group: P 1 2/c 1
Cell volume: 715.77
Cell parameters: 16.1473; 4.7928; 9.2488; 90; 90.212; 90;  

COD ID: 1515761
CIF file Formula: - C70 H128 O23 V6 -
Comments: Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L. Low-valent vanadium catecholate clusters Chemical Science 1(2) (2010) 221
Space group: P -1
Cell volume: 2155.8
Cell parameters: 11.232; 13.693; 14.106; 96.27; 91.4; 90.45;  

COD ID: 1515762
CIF file Formula: - C98 H124 O24 V6 -
Comments: Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L. Low-valent vanadium catecholate clusters Chemical Science 1(2) (2010) 221
Space group: P 1 21/n 1
Cell volume: 4806
Cell parameters: 11.486; 28.417; 14.966; 90; 100.286; 90;  

COD ID: 1515763
CIF file Formula: - C62 H98 O11 V2 -
Comments: Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L. Low-valent vanadium catecholate clusters Chemical Science 1(2) (2010) 221
Space group: P -1
Cell volume: 3257
Cell parameters: 11.2421; 14.0373; 21.6847; 105.957; 93.77; 95.885;  

COD ID: 1515764
CIF file Formula: - C67 H120 O24 V6 -
Comments: Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L. Low-valent vanadium catecholate clusters Chemical Science 1(2) (2010) 221
Space group: P -1
Cell volume: 4540.6
Cell parameters: 13.52; 18.22; 19.29; 89.59; 74.53; 82.69;  

COD ID: 1515765
CIF file Formula: - C62 H98 O13 V2 -
Comments: Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L. Low-valent vanadium catecholate clusters Chemical Science 1(2) (2010) 221
Space group: P 1 21/c 1
Cell volume: 3309.6
Cell parameters: 13.7603; 11.8807; 20.3294; 90; 95.249; 90;  

COD ID: 1515766
CIF file Formula: - C24 H16 S2 -
Comments: Kang, Myeong Jin; Yamamoto, Tatsuya; Shinamura, Shoji; Miyazaki, Eigo; Takimiya, Kazuo Unique three-dimensional (3D) molecular array in dimethyl-DNTT crystals: a new approach to 3D organic semiconductors Chemical Science 1(2) (2010) 179
Space group: P 1 21 1
Cell volume: 880.4
Cell parameters: 11.686; 7.737; 10.674; 90; 114.187; 90;  

COD ID: 1515767
CIF file Formula: - C24 H16 S2 -
Comments: Kang, Myeong Jin; Yamamoto, Tatsuya; Shinamura, Shoji; Miyazaki, Eigo; Takimiya, Kazuo Unique three-dimensional (3D) molecular array in dimethyl-DNTT crystals: a new approach to 3D organic semiconductors Chemical Science 1(2) (2010) 179
Space group: P 1 21/n 1
Cell volume: 851.5
Cell parameters: 6.148; 7.535; 18.559; 90; 97.924; 90;  

COD ID: 1515768
CIF file Formula: - C44 H52 Au N2 O3 P -
Comments: Lalonde, Rebecca L.; Brenzovich, Jr, William E; Benitez, Diego; Tkatchouk, Ekaterina; Kelley, Kotaro; Goddard, 3rd, William A; Toste, F. Dean Alkylgold complexes by the intramolecular aminoauration of unactivated alkenes. Chemical science (Royal Society of Chemistry : 2010) 1(2) (2010) 226
Space group: P 1 21/n 1
Cell volume: 4078
Cell parameters: 8.8343; 27.11; 17.039; 90; 92.118; 90;  

COD ID: 1515769
CIF file Formula: - C39 H39 Au N2 O P -
Comments: Lalonde, Rebecca L.; Brenzovich, Jr, William E; Benitez, Diego; Tkatchouk, Ekaterina; Kelley, Kotaro; Goddard, 3rd, William A; Toste, F. Dean Alkylgold complexes by the intramolecular aminoauration of unactivated alkenes. Chemical science (Royal Society of Chemistry : 2010) 1(2) (2010) 226
Space group: P -1
Cell volume: 1618
Cell parameters: 9.2568; 12.331; 15.174; 95.195; 105.262; 101.577;  

COD ID: 1515770
CIF file Formula: - C21 H34 B Cl3 Ga2 N6 S3 -
Comments: Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science 1(2) (2010) 210
Space group: R -3 :H
Cell volume: 4552.4
Cell parameters: 15.7834; 15.7834; 21.1015; 90; 90; 120;  

COD ID: 1515771
CIF file Formula: - C27 H40 B Ga2 I3 N6 S3 -
Comments: Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science 1(2) (2010) 210
Space group: P 1 21/c 1
Cell volume: 3824.1
Cell parameters: 17.1401; 11.9049; 19.0672; 90; 100.615; 90;  

COD ID: 1515772
CIF file Formula: - C25 H40 B Ga2 I3 N8 S3 -
Comments: Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science 1(2) (2010) 210
Space group: P -1
Cell volume: 1950.9
Cell parameters: 11.0854; 11.1373; 16.5062; 76.455; 83.638; 80.982;  

COD ID: 1515773
CIF file Formula: - C50 H80 B2 Ga4 I5 N16 S6 -
Comments: Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science 1(2) (2010) 210
Space group: P 1 21/c 1
Cell volume: 7976
Cell parameters: 30.236; 10.3955; 27.107; 90; 110.589; 90;  

COD ID: 1515774
CIF file Formula: - C46 H74 B2 Ga3 I3 N14 S6 -
Comments: Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science 1(2) (2010) 210
Space group: P b a 2
Cell volume: 3378.7
Cell parameters: 14.953; 20.106; 11.2381; 90; 90; 90;  

COD ID: 1515775
CIF file Formula: - C56 H84 B2 Ga I N12 S6 -
Comments: Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science 1(2) (2010) 210
Space group: C 1 2/c 1
Cell volume: 6363.8
Cell parameters: 28.73; 11.539; 19.666; 90; 102.55; 90;  

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

COD ID: 1515777
CIF file Formula: - C27 H40 B Cl3 Ga2 N6 S4 -
Comments: Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science 1(2) (2010) 210
Space group: P 1 21/c 1
Cell volume: 3669.2
Cell parameters: 15.8552; 12.7781; 18.4005; 90; 100.18; 90;  

COD ID: 1515778
CIF file Formula: - C23 H37 B Cl5 Ga2 N7 S3 -
Comments: Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science 1(2) (2010) 210
Space group: P 1 21/n 1
Cell volume: 7490.6
Cell parameters: 16.0697; 17.5534; 26.6647; 90; 95.197; 90;  

COD ID: 1515779
CIF file Formula: - C23 H36 B Cl11 Ga2 N6 S3 -
Comments: Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science 1(2) (2010) 210
Space group: P -1
Cell volume: 2194.38
Cell parameters: 11.0927; 14.4146; 16.1852; 98.23; 107.155; 112.117;  

COD ID: 1515780
CIF file Formula: - C33 H46 B Cl5 Ga2 N6 S3 -
Comments: Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science 1(2) (2010) 210
Space group: P -1
Cell volume: 2226.7
Cell parameters: 11.9637; 13.0055; 16.595; 99.187; 102.166; 113.54;  

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

COD ID: 1515782
CIF file Formula: - C48 H80 B2 Cl8 Ga4 N12 O2 S6 -
Comments: Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science 1(2) (2010) 210
Space group: P -1
Cell volume: 1778.7
Cell parameters: 11.241; 11.857; 15.252; 110.582; 107.533; 94.069;  

COD ID: 1515783
CIF file Formula: - C27 H40 B Ga I2 N6 S3 -
Comments: Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science 1(2) (2010) 210
Space group: P 1 21/n 1
Cell volume: 3673.9
Cell parameters: 11.6794; 16.382; 19.208; 90; 91.443; 90;  

COD ID: 1515784
CIF file Formula: - C24 H8 Cl Fe4 N32 O4 -
Comments: Sumida, Kenji; Horike, Satoshi; Kaye, Steven S.; Herm, Zoey R.; Queen, Wendy L.; Brown, Craig M.; Grandjean, Fernande; Long, Gary J.; Dailly, Anne; Long, Jeffrey R. Hydrogen storage and carbon dioxide capture in an iron-based sodalite-type metal‒organic framework (Fe-BTT) discovered via high-throughput methods Chemical Science 1(2) (2010) 184
Space group: P m -3 m
Cell volume: 6669.6
Cell parameters: 18.8235; 18.8235; 18.8235; 90; 90; 90;  

COD ID: 1515785
CIF file Formula: - C104 H151 N11 O10 -
Comments: Gale, Philip A.; Hiscock, Jennifer R.; Jie, Chen Zhu; Hursthouse, Michael B.; Light, Mark E. Acyclic indole and carbazole-based sulfate receptors Chemical Science 1(2) (2010) 215
Space group: P 1
Cell volume: 2429.96
Cell parameters: 8.932; 12.45; 22.583; 93.679; 100.549; 98.64;  

COD ID: 1515786
CIF file Formula: - C67 H99 N10 O7 P -
Comments: Gale, Philip A.; Hiscock, Jennifer R.; Jie, Chen Zhu; Hursthouse, Michael B.; Light, Mark E. Acyclic indole and carbazole-based sulfate receptors Chemical Science 1(2) (2010) 215
Space group: P 1 21/n 1
Cell volume: 6557.7
Cell parameters: 14.786; 17.7836; 25.6491; 90; 103.512; 90;  

COD ID: 1515787
CIF file Formula: - C67 H98 N10 O7 S -
Comments: Gale, Philip A.; Hiscock, Jennifer R.; Jie, Chen Zhu; Hursthouse, Michael B.; Light, Mark E. Acyclic indole and carbazole-based sulfate receptors Chemical Science 1(2) (2010) 215
Space group: P -1
Cell volume: 3255.72
Cell parameters: 8.7802; 16.9156; 22.1638; 88.1703; 85.7351; 82.7653;  

COD ID: 1515788
CIF file Formula: - C9 H19 O4 P Si -
Comments: Uraguchi, Daisuke; Ito, Takaki; Nakamura, Shinji; Ooi, Takashi Catalytic asymmetric hydrophosphonylation of ynones Chemical Science 1(4) (2010) 488
Space group: P 1 21 1
Cell volume: 675.14
Cell parameters: 9.5228; 7.4316; 9.7945; 90; 103.092; 90;  

COD ID: 1515789
CIF file Formula: - C6 H5 Cu Se -
Comments: Low, Kam-Hung; Li, Cheng-Hui; Roy, Vellaisamy A. L.; Chui, Stephen Sin-Yin; Chan, Sharon Lai-Fung; Che, Chi-Ming Homoleptic copper(i) phenylselenolate polymer as a single-source precursor for Cu2Se nanocrystals. Structure, photoluminescence and application in field-effect transistor Chemical Science 1(4) (2010) 515
Space group: P 42/n :2
Cell volume: 1227.5
Cell parameters: 17.1243; 17.1243; 4.1859; 90; 90; 90;  

COD ID: 1515790
CIF file Formula: - C50 H58 O4.5 P -
Comments: Rueping, Magnus; Theissmann, Thomas Asymmetric Brønsted acid catalysis in aqueous solution Chemical Science 1(4) (2010) 473
Space group: P 41 21 2
Cell volume: 9161.4
Cell parameters: 16.2608; 16.2608; 34.648; 90; 90; 90;  

COD ID: 1515791
CIF file Formula: - C48.5 H29 Cl O4 P Pd0.25 -
Comments: Rueping, Magnus; Theissmann, Thomas Asymmetric Brønsted acid catalysis in aqueous solution Chemical Science 1(4) (2010) 473
Space group: C 1 2 1
Cell volume: 8555
Cell parameters: 25.774; 17.105; 22.731; 90; 121.38; 90;  

COD ID: 1515792
CIF file Formula: - C10 H22.32 F2 N2 O97 Si48 -
Comments: Wheatley, Paul S.; Allan, Phoebe K.; Teat, Simon J.; Ashbrook, Sharon E.; Morris, Russell E. Task specific ionic liquids for the ionothermal synthesis of siliceous zeolites Chemical Science 1(4) (2010) 483
Space group: P n m a
Cell volume: 5322
Cell parameters: 19.959; 19.89; 13.407; 90; 90; 90;  

COD ID: 1515793
CIF file Formula: - O16 Si8 -
Comments: Wheatley, Paul S.; Allan, Phoebe K.; Teat, Simon J.; Ashbrook, Sharon E.; Morris, Russell E. Task specific ionic liquids for the ionothermal synthesis of siliceous zeolites Chemical Science 1(4) (2010) 483
Space group: C m c 21
Cell volume: 1216.59
Cell parameters: 13.824; 17.42; 5.052; 90; 90; 90;  

COD ID: 1515794
CIF file Formula: - C68 H88 Cl2 Ge2 O2 -
Comments: Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science 1(4) (2010) 461
Space group: I 1 2/m 1
Cell volume: 3083.7
Cell parameters: 14.3831; 10.975; 19.628; 90; 95.579; 90;  

COD ID: 1515795
CIF file Formula: - C72 H84 Cl2 Sn2 -
Comments: Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science 1(4) (2010) 461
Space group: I 1 2/m 1
Cell volume: 3144.1
Cell parameters: 14.908; 11.003; 19.38; 90; 98.493; 90;  

COD ID: 1515796
CIF file Formula: - C78 H102 Ge2 Sn2 -
Comments: Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science 1(4) (2010) 461
Space group: P 1 21/c 1
Cell volume: 3563.1
Cell parameters: 12.753; 11.666; 23.95; 90; 90.305; 90;  

COD ID: 1515797
CIF file Formula: - C67 H92.5 Ge2 O0.25 Si2 -
Comments: Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science 1(4) (2010) 461
Space group: P 1 21/c 1
Cell volume: 12994.4
Cell parameters: 12.915; 45.098; 22.5681; 90; 98.67; 90;  

COD ID: 1515798
CIF file Formula: - C80 H106 Si2 Sn2 -
Comments: Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science 1(4) (2010) 461
Space group: P 1 21/c 1
Cell volume: 3616.3
Cell parameters: 12.7007; 11.7079; 24.3198; 90; 90.138; 90;  

COD ID: 1515799
CIF file Formula: - C76 H94 O2 Sn2 -
Comments: Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science 1(4) (2010) 461
Space group: P -1
Cell volume: 1666.5
Cell parameters: 10.851; 12.507; 13.88; 96.444; 97.785; 114.634;  

COD ID: 1515800
CIF file Formula: - C82 H106 Sn2 -
Comments: Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science 1(4) (2010) 461
Space group: P -1
Cell volume: 1805.9
Cell parameters: 10.5215; 12.0825; 15.337; 103.218; 107.001; 91.541;  

COD ID: 1515801
CIF file Formula: - C203 H284 Ge4 -
Comments: Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science 1(4) (2010) 461
Space group: P 1 21/c 1
Cell volume: 8816
Cell parameters: 15.153; 22.6; 26.212; 90; 100.842; 90;  

COD ID: 1515802
CIF file Formula: - C84.6667 H123.6667 O0.16667 Sn2 -
Comments: Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science 1(4) (2010) 461
Space group: P -1
Cell volume: 11829.5
Cell parameters: 15.1577; 22.7946; 36.174; 75.115; 84.218; 78.732;  

COD ID: 1515803
CIF file Formula: - C60 H72 Cl4 Sn2 -
Comments: Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science 1(4) (2010) 461
Space group: P c c n
Cell volume: 5525.2
Cell parameters: 20.3965; 15.7884; 17.1574; 90; 90; 90;  

COD ID: 1515804
CIF file Formula: - C80 H106 Cl2 Si2 Sn2 -
Comments: Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science 1(4) (2010) 461
Space group: P -1
Cell volume: 1877.18
Cell parameters: 11.3422; 12.9163; 15.1478; 112.053; 103.247; 103.156;  

COD ID: 1515805
CIF file Formula: - C76 H94 Cl2 O2 Sn2 -
Comments: Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science 1(4) (2010) 461
Space group: C 1 2/c 1
Cell volume: 6791.2
Cell parameters: 23.035; 10.8053; 27.61; 90; 98.801; 90;  

COD ID: 1515806
CIF file Formula: - C84 H122 Cl0.13 Ge2 I1.87 -
Comments: Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science 1(4) (2010) 461
Space group: P -1
Cell volume: 3949.4
Cell parameters: 11.9294; 18.4084; 20.7414; 114.657; 105.431; 90.806;  

COD ID: 1515807
CIF file Formula: - C42 H61 Cl Sn -
Comments: Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science 1(4) (2010) 461
Space group: C 1 2/c 1
Cell volume: 3896.6
Cell parameters: 16.5067; 9.4895; 26.1959; 90; 108.267; 90;  

COD ID: 1515808
CIF file Formula: - C80 H106 Cl1.7 Ge2 I0.3 Sn2 -
Comments: Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science 1(4) (2010) 461
Space group: P -1
Cell volume: 1899.2
Cell parameters: 11.4346; 12.9085; 15.1952; 111.709; 103.674; 103.032;  

COD ID: 1515809
CIF file Formula: - C35 H52 N3 O6.5 Si2 -
Comments: Goldup, Stephen M.; Leigh, David A.; McBurney, Roy T.; McGonigal, Paul R.; Plant, Andrew Ligand-assisted nickel-catalysed sp3–sp3 homocoupling of unactivated alkyl bromides and its application to the active template synthesis of rotaxanes Chemical Science 1(3) (2010) 383
Space group: P -1
Cell volume: 3867
Cell parameters: 10.129; 18.6652; 21.536; 75.478; 88.638; 78.94;  

COD ID: 1515810
CIF file Formula: - C44.5 H65 N2 P2 V -
Comments: Andino, José G.; Kilgore, Uriah J.; Pink, Maren; Ozarowski, Andrew; Krzystek, J.; Telser, Joshua; Baik, Mu-Hyun; Mindiola, Daniel J. Intermolecular C–H bond activation of benzene and pyridines by a vanadium(iii) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex Chemical Science 1(3) (2010) 351
Space group: P 1 21/c 1
Cell volume: 4197.5
Cell parameters: 14.3987; 10.4231; 28.2627; 90; 98.277; 90;  

COD ID: 1515811
CIF file Formula: - C100 H155 N5 P6 V2 -
Comments: Andino, José G.; Kilgore, Uriah J.; Pink, Maren; Ozarowski, Andrew; Krzystek, J.; Telser, Joshua; Baik, Mu-Hyun; Mindiola, Daniel J. Intermolecular C‒H bond activation of benzene and pyridines by a vanadium(iii) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex Chemical Science 1(3) (2010) 351
Space group: C 1 2/c 1
Cell volume: 9753
Cell parameters: 32.471; 10.7761; 28.001; 90; 95.454; 90;  

COD ID: 1515812
CIF file Formula: - C38 H50 N P2 V -
Comments: Andino, José G.; Kilgore, Uriah J.; Pink, Maren; Ozarowski, Andrew; Krzystek, J.; Telser, Joshua; Baik, Mu-Hyun; Mindiola, Daniel J. Intermolecular C‒H bond activation of benzene and pyridines by a vanadium(iii) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex Chemical Science 1(3) (2010) 351
Space group: P b c a
Cell volume: 7045.3
Cell parameters: 18.1601; 19.1808; 20.2261; 90; 90; 90;  

COD ID: 1515813
CIF file Formula: - C29 H34 Cl2 F6 N2 O6 Pd2 -
Comments: Yeung, Charles S.; Zhao, Xiaodan; Borduas, Nadine; Dong, Vy M. Pd-catalyzed ortho-arylation of phenylacetamides, benzamides, and anilides with simple arenes using sodium persulfate Chemical Science 1(3) (2010) 331
Space group: P c a 21
Cell volume: 6918.6
Cell parameters: 33.636; 11.4193; 18.0125; 90; 90; 90;  

COD ID: 1515814
CIF file Formula: - C24 H20 F6 N2 O6 Pd2 -
Comments: Yeung, Charles S.; Zhao, Xiaodan; Borduas, Nadine; Dong, Vy M. Pd-catalyzed ortho-arylation of phenylacetamides, benzamides, and anilides with simple arenes using sodium persulfate Chemical Science 1(3) (2010) 331
Space group: C 1 2/c 1
Cell volume: 5589.9
Cell parameters: 27.0838; 16.8253; 14.3465; 90; 121.236; 90;  

COD ID: 1515815
CIF file Formula: - C24 H24 N2 O7 -
Comments: Krenske, Elizabeth H.; Houk, K. N.; Lohse, Andrew G.; Antoline, Jennifer E.; Hsung, Richard P. Stereoselectivity in Oxyallyl-Furan 4+3 Cycloadditions: Control of Intermediate Conformations and Dispersive Stabilisation with Evans' Oxazolidinones. Chemical science (Royal Society of Chemistry : 2010) 1(3) (2010) 387-392
Space group: P 21 21 21
Cell volume: 2122.3
Cell parameters: 6.9199; 16.655; 18.415; 90; 90; 90;  

COD ID: 1515816
CIF file Formula: - C32 H32 N2 O7 -
Comments: Krenske, Elizabeth H.; Houk, K. N.; Lohse, Andrew G.; Antoline, Jennifer E.; Hsung, Richard P. Stereoselectivity in Oxyallyl-Furan 4+3 Cycloadditions: Control of Intermediate Conformations and Dispersive Stabilisation with Evans' Oxazolidinones. Chemical science (Royal Society of Chemistry : 2010) 1(3) (2010) 387-392
Space group: P 1 21 1
Cell volume: 2758.9
Cell parameters: 6.7539; 19.324; 21.197; 90; 94.231; 90;  

COD ID: 1515817
CIF file Formula: - C12 H18 As5 Cl3 Cu3 Fe N -
Comments: Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred The potential of a cyclo-As5 ligand complex in coordination chemistry Chemical Science 1(3) (2010) 337
Space group: P 1 21/c 1
Cell volume: 2140.8
Cell parameters: 11.66; 21.626; 8.49; 90; 90; 90;  

COD ID: 1515818
CIF file Formula: - C12 H18 As5 Br3 Cu3 Fe N -
Comments: Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred The potential of a cyclo-As5 ligand complex in coordination chemistry Chemical Science 1(3) (2010) 337
Space group: P 1 21/c 1
Cell volume: 2228.42
Cell parameters: 11.8229; 21.7908; 8.6497; 90; 90.118; 90;  

COD ID: 1515819
CIF file Formula: - C10 H15 As5 Cu2 Fe I2 -
Comments: Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred The potential of a cyclo-As5 ligand complex in coordination chemistry Chemical Science 1(3) (2010) 337
Space group: P -1
Cell volume: 975.42
Cell parameters: 8.4256; 10.9119; 11.482; 71.256; 81.825; 78.273;  

COD ID: 1515820
CIF file Formula: - C11 H17 As5 Cl2 Cu2 Fe I2 -
Comments: Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred The potential of a cyclo-As5 ligand complex in coordination chemistry Chemical Science 1(3) (2010) 337
Space group: P n m a
Cell volume: 4506.18
Cell parameters: 15.6513; 11.7371; 24.53; 90; 90; 90;  

COD ID: 1515821
CIF file Formula: - C15 H24 Cl2 Cu N3 -
Comments: Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions Chemical Science 1(3) (2010) 326
Space group: P c a 21
Cell volume: 1728
Cell parameters: 11.892; 15.074; 9.64; 90; 90; 90;  

COD ID: 1515822
CIF file Formula: - C15 H24 Br2 Cu N3 -
Comments: Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions Chemical Science 1(3) (2010) 326
Space group: P c a 21
Cell volume: 1830.5
Cell parameters: 12.3103; 15.3429; 9.6916; 90; 90; 90;  

COD ID: 1515823
CIF file Formula: - C15 H24 Cu I2 N3 -
Comments: Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions Chemical Science 1(3) (2010) 326
Space group: P 1 21/c 1
Cell volume: 1889.6
Cell parameters: 7.165; 17.7756; 15.0327; 90; 99.274; 90;  

COD ID: 1515824
CIF file Formula: - C14 H24 Cl2 Cu N3 O -
Comments: Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions Chemical Science 1(3) (2010) 326
Space group: P c a 21
Cell volume: 1725.3
Cell parameters: 12.47; 15.254; 9.07; 90; 90; 90;  

COD ID: 1515825
CIF file Formula: - C14 H22 Cu I2 N3 -
Comments: Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions Chemical Science 1(3) (2010) 326
Space group: P -1
Cell volume: 3603
Cell parameters: 15.441; 16.225; 16.686; 66.117; 83.242; 70.542;  

COD ID: 1515826
CIF file Formula: - C11 H6 Cu N3 O4 -
Comments: Matsuda, Ryotaro; Tsujino, Takashi; Sato, Hiroshi; Kubota, Yoshiki; Morishige, Kunimitsu; Takata, Masaki; Kitagawa, Susumu Temperature responsive channel uniformity impacts on highly guest-selective adsorption in a porous coordination polymer Chemical Science 1(3) (2010) 315
Space group: P 1 21/c 1
Cell volume: 1421.08
Cell parameters: 4.716; 27.833; 10.8881; 90; 96.103; 90;  

COD ID: 1515827
CIF file Formula: - C12 H6 Cu N5 O4 -
Comments: Matsuda, Ryotaro; Tsujino, Takashi; Sato, Hiroshi; Kubota, Yoshiki; Morishige, Kunimitsu; Takata, Masaki; Kitagawa, Susumu Temperature responsive channel uniformity impacts on highly guest-selective adsorption in a porous coordination polymer Chemical Science 1(3) (2010) 315
Space group: P 1 21/c 1
Cell volume: 1735.2
Cell parameters: 4.651; 34.683; 10.812; 90; 95.8; 90;  

COD ID: 1515828
CIF file Formula: - C8 H4 Cu N3 O4 -
Comments: Matsuda, Ryotaro; Tsujino, Takashi; Sato, Hiroshi; Kubota, Yoshiki; Morishige, Kunimitsu; Takata, Masaki; Kitagawa, Susumu Temperature responsive channel uniformity impacts on highly guest-selective adsorption in a porous coordination polymer Chemical Science 1(3) (2010) 315
Space group: P 1 21/c 1
Cell volume: 1019.25
Cell parameters: 4.7331; 19.9244; 10.8678; 90; 96.009; 90;  

COD ID: 1515829
CIF file Formula: - C78.5 H79 Co N4 O3.5 -
Comments: McGuire Jr., Robert; Dogutan, Dilek K.; Teets, Thomas S.; Suntivich, Jin; Shao-Horn, Yang; Nocera, Daniel G. Oxygen reduction reactivity of cobalt(ii) hangman porphyrins Chemical Science 1(3) (2010) 411
Space group: P -1
Cell volume: 3546.3
Cell parameters: 13.6816; 14.9382; 19.8125; 100.854; 103.727; 109.497;  

COD ID: 1515830
CIF file Formula: - C22 H20 O3 -
Comments: Sampath, Magesh; Loh, Teck-Peng Highly enantio-, regio- and diastereo-selective one-pot [2 + 3]-cycloaddition reaction via isomerization of 3-butynoates to allenoates, Chemical Science 1(6) (2010) 739
Space group: P 1 21/c 1
Cell volume: 1754.95
Cell parameters: 10.6855; 7.9692; 21.0861; 90; 102.213; 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: 1515832
CIF file Formula: - C43 H60 Fe2 N4 O -
Comments: Siemeling, Ulrich; Färber, Christian; Bruhn, Clemens; Leibold, Michael; Selent, Detlef; Baumann, Wolfgang; von Hopffgarten, Moritz; Goedecke, Catharina; Frenking, Gernot N-heterocyclic carbenes which readily add ammonia, carbon monoxide and other small molecules, Chemical Science 1(6) (2010) 697
Space group: P 1 21/c 1
Cell volume: 3992.7
Cell parameters: 16.3194; 10.7454; 22.9601; 90; 97.397; 90;  

COD ID: 1515833
CIF file Formula: - C26 H39 Fe N3 -
Comments: Siemeling, Ulrich; Färber, Christian; Bruhn, Clemens; Leibold, Michael; Selent, Detlef; Baumann, Wolfgang; von Hopffgarten, Moritz; Goedecke, Catharina; Frenking, Gernot N-heterocyclic carbenes which readily add ammonia, carbon monoxide and other small molecules, Chemical Science 1(6) (2010) 697
Space group: P 1 21/n 1
Cell volume: 2497.7
Cell parameters: 15.253; 9.8425; 16.706; 90; 95.195; 90;  

COD ID: 1515834
CIF file Formula: - C25 H36 Fe N2 O2 -
Comments: Siemeling, Ulrich; Färber, Christian; Bruhn, Clemens; Leibold, Michael; Selent, Detlef; Baumann, Wolfgang; von Hopffgarten, Moritz; Goedecke, Catharina; Frenking, Gernot N-heterocyclic carbenes which readily add ammonia, carbon monoxide and other small molecules, Chemical Science 1(6) (2010) 697
Space group: P 1 21/c 1
Cell volume: 2359
Cell parameters: 12.1007; 17.09; 11.5086; 90; 97.616; 90;  

COD ID: 1515835
CIF file Formula: - C24 H44 P2 -
Comments: Núñez Magro, A. Alberto; Robb, Lynzi-Marie; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Eastham, Graham R.; Cole-Hamilton, David J. Highly selective formation of unsaturated esters or cascade reactions to α,ω-diesters by the methoxycarbonylation of alkynes catalysed by palladium complexes of 1,2-bis(ditertbutylphosphinomethyl)benzene Chemical Science 1(6) (2010) 723
Space group: P -1
Cell volume: 1223.9
Cell parameters: 9.9447; 11.839; 11.991; 117.625; 92.392; 99.186;  

COD ID: 1515836
CIF file Formula: - C24 H44 Cl2 P2 Pd -
Comments: Núñez Magro, A. Alberto; Robb, Lynzi-Marie; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Eastham, Graham R.; Cole-Hamilton, David J. Highly selective formation of unsaturated esters or cascade reactions to α,ω-diesters by the methoxycarbonylation of alkynes catalysed by palladium complexes of 1,2-bis(ditertbutylphosphinomethyl)benzene Chemical Science 1(6) (2010) 723
Space group: P 1 21/c 1
Cell volume: 2669.3
Cell parameters: 9.1553; 19.646; 15.159; 90; 101.766; 90;  

COD ID: 1515837
CIF file Formula: - C24 H46 B2 F8 P2 -
Comments: Núñez Magro, A. Alberto; Robb, Lynzi-Marie; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Eastham, Graham R.; Cole-Hamilton, David J. Highly selective formation of unsaturated esters or cascade reactions to α,ω-diesters by the methoxycarbonylation of alkynes catalysed by palladium complexes of 1,2-bis(ditertbutylphosphinomethyl)benzene Chemical Science 1(6) (2010) 723
Space group: P -1
Cell volume: 2882.1
Cell parameters: 7.722; 15.101; 24.95; 90.779; 97.485; 92.145;  

COD ID: 1515838
CIF file Formula: - C26 H41 N O9 -
Comments: Yu, Shouyun; Ishida, Hiroshi; Juarez-Garcia, M. Elisa; Bode, Jeffrey W. Unified synthesis of enantiopure β2h, β3h and β2,3-amino acids Chemical Science 1(5) (2010) 637
Space group: P 1 21 1
Cell volume: 1340.8
Cell parameters: 10.6909; 10.6557; 12.547; 90; 110.269; 90;  

COD ID: 1515839
CIF file Formula: - C26 H41 N O9 -
Comments: Yu, Shouyun; Ishida, Hiroshi; Juarez-Garcia, M. Elisa; Bode, Jeffrey W. Unified synthesis of enantiopure β2h, β3h and β2,3-amino acids Chemical Science 1(5) (2010) 637
Space group: P 1 21 1
Cell volume: 1354.5
Cell parameters: 5.9601; 10.917; 20.891; 90; 94.816; 90;  

COD ID: 1515840
CIF file Formula: - C26 H41 N O9 -
Comments: Yu, Shouyun; Ishida, Hiroshi; Juarez-Garcia, M. Elisa; Bode, Jeffrey W. Unified synthesis of enantiopure β2h, β3h and β2,3-amino acids Chemical Science 1(5) (2010) 637
Space group: P 21 21 21
Cell volume: 2815.9
Cell parameters: 10.5979; 11.4345; 23.237; 90; 90; 90;  

COD ID: 1515841
CIF file Formula: - C12 H16 Br N4 O4.5 -
Comments: Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu Total synthesis of all (-)-Agelastatin alkaloids. Chemical science (Royal Society of Chemistry : 2010) 1(5) (2010) 561-566
Space group: P 1 21 1
Cell volume: 1459.1
Cell parameters: 13.5873; 6.9161; 15.7114; 90; 98.786; 90;  

COD ID: 1515842
CIF file Formula: - C12 H12 Br2 N4 O3 -
Comments: Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu Total synthesis of all (-)-Agelastatin alkaloids. Chemical science (Royal Society of Chemistry : 2010) 1(5) (2010) 561-566
Space group: P 1 21 1
Cell volume: 702.51
Cell parameters: 6.7838; 8.118; 12.9579; 90; 100.117; 90;  

COD ID: 1515843
CIF file Formula: - C11 H11 Br N4 O3 -
Comments: Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu Total synthesis of all (-)-Agelastatin alkaloids. Chemical science (Royal Society of Chemistry : 2010) 1(5) (2010) 561-566
Space group: P 21 21 21
Cell volume: 1228.2
Cell parameters: 6.1269; 6.8919; 29.087; 90; 90; 90;  

COD ID: 1515844
CIF file Formula: - C11 H13 Br N2 O4 -
Comments: Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu Total synthesis of all (-)-Agelastatin alkaloids. Chemical science (Royal Society of Chemistry : 2010) 1(5) (2010) 561-566
Space group: P 21 21 21
Cell volume: 1342.5
Cell parameters: 8.4061; 9.2037; 17.3522; 90; 90; 90;  

COD ID: 1515845
CIF file Formula: - C14 H19 Br N4 O4 -
Comments: Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu Total synthesis of all (-)-Agelastatin alkaloids. Chemical science (Royal Society of Chemistry : 2010) 1(5) (2010) 561-566
Space group: P 21 21 21
Cell volume: 1572.8
Cell parameters: 10.3843; 10.7461; 14.0947; 90; 90; 90;  

COD ID: 1515846
CIF file Formula: - C17 H17 Br N2 O3 S -
Comments: Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu Total synthesis of all (-)-Agelastatin alkaloids. Chemical science (Royal Society of Chemistry : 2010) 1(5) (2010) 561-566
Space group: P 1 21 1
Cell volume: 880.41
Cell parameters: 9.2556; 8.0917; 11.7613; 90; 91.799; 90;  

COD ID: 1515847
CIF file Formula: - C16 H28 Br2 Fe N8 -
Comments: Ni, Zhaoping; McDaniel, Ashley M.; Shores, Matthew P. Ambient temperature anion-dependent spin state switching observed in “mostly low spin” heteroleptic iron(ii) diimine complexes Chemical Science 1(5) (2010) 615
Space group: P 1 21/n 1
Cell volume: 2113.9
Cell parameters: 9.5341; 16.1645; 13.717; 90; 90.539; 90;  

COD ID: 1515848
CIF file Formula: - C73 H80 B2 Fe N10 -
Comments: Ni, Zhaoping; McDaniel, Ashley M.; Shores, Matthew P. Ambient temperature anion-dependent spin state switching observed in “mostly low spin” heteroleptic iron(ii) diimine complexes Chemical Science 1(5) (2010) 615
Space group: P -1
Cell volume: 3170.97
Cell parameters: 13.1775; 13.2415; 18.3584; 93.46; 97.33; 90.471;  

COD ID: 1515849
CIF file Formula: - C74 H76 B2 Fe N10 -
Comments: Ni, Zhaoping; McDaniel, Ashley M.; Shores, Matthew P. Ambient temperature anion-dependent spin state switching observed in “mostly low spin” heteroleptic iron(ii) diimine complexes Chemical Science 1(5) (2010) 615
Space group: P -1
Cell volume: 3244.7
Cell parameters: 13.04; 13.169; 22.292; 76.65; 79.24; 60.99;  

COD ID: 1515850
CIF file Formula: - C76 H76 B2 Fe N10 -
Comments: Ni, Zhaoping; McDaniel, Ashley M.; Shores, Matthew P. Ambient temperature anion-dependent spin state switching observed in “mostly low spin” heteroleptic iron(ii) diimine complexes Chemical Science 1(5) (2010) 615
Space group: C 1 2/c 1
Cell volume: 14033.2
Cell parameters: 45.6638; 12.6323; 24.6196; 90; 98.831; 90;  

COD ID: 1515851
CIF file Formula: - C32 H30 -
Comments: Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science 1(1) (2010) 102
Space group: P -1
Cell volume: 1218.9
Cell parameters: 8.42; 10.445; 15.4972; 81.045; 74.819; 68.224;  

COD ID: 1515852
CIF file Formula: - C31 H29 N -
Comments: Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science 1(1) (2010) 102
Space group: P -1
Cell volume: 1206.7
Cell parameters: 8.3091; 10.524; 15.4592; 80.8186; 74.9937; 67.8783;  

COD ID: 1515853
CIF file Formula: - C31 H29 N -
Comments: Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science 1(1) (2010) 102
Space group: P -1
Cell volume: 2473.28
Cell parameters: 10.1034; 14.8715; 17.8686; 74.014; 75.146; 78.92;  

COD ID: 1515854
CIF file Formula: - C30 H28 N2 -
Comments: Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science 1(1) (2010) 102
Space group: P n n a
Cell volume: 2383.66
Cell parameters: 18.9732; 14.5707; 8.6223; 90; 90; 90;  

COD ID: 1515855
CIF file Formula: - C66 H72 Cl4 O4 -
Comments: Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science 1(1) (2010) 102
Space group: P -1
Cell volume: 1453.51
Cell parameters: 9.5378; 11.7657; 13.6855; 85.769; 88.725; 71.627;  

COD ID: 1515856
CIF file Formula: - C61 H61 Cl8 N O4 -
Comments: Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science 1(1) (2010) 102
Space group: P -1
Cell volume: 1451.48
Cell parameters: 9.5501; 11.9607; 13.4618; 85.7591; 88.837; 71.1797;  

COD ID: 1515857
CIF file Formula: - C64 H58 O4 -
Comments: Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science 1(1) (2010) 102
Space group: P 1 21/c 1
Cell volume: 10257
Cell parameters: 21.7475; 36.719; 12.9048; 90; 95.5386; 90;  

COD ID: 1515858
CIF file Formula: - C82 H70 O4 -
Comments: Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science 1(1) (2010) 102
Space group: P 1 21/c 1
Cell volume: 6468.88
Cell parameters: 29.4698; 13.9924; 16.0684; 90; 102.496; 90;  

COD ID: 1515859
CIF file Formula: - C66 H50 O4 -
Comments: Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science 1(1) (2010) 102
Space group: C 1 c 1
Cell volume: 4990.2
Cell parameters: 35.6175; 9.396; 14.925; 90; 92.4734; 90;  

COD ID: 1515860
CIF file Formula: - C52 H50 O4 -
Comments: Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science 1(1) (2010) 102
Space group: P 1 c 1
Cell volume: 4254.73
Cell parameters: 12.9195; 26.1804; 13.8321; 90; 114.575; 90;  

COD ID: 1515861
CIF file Formula: - C32 H138 Cu4 F4 N12 O33 -
Comments: Seeber, Georg; Cooper, Geoffrey J. T.; Newton, Graham N.; Rosnes, Mali H.; Long, De-Liang; Kariuki, Benson M.; Kögerler, Paul; Cronin, Leroy Following the self assembly of supramolecular MOFs using X-ray crystallography and cryospray mass spectrometry Chemical Science 1(1) (2010) 62
Space group: F -4 3 c
Cell volume: 51874
Cell parameters: 37.295; 37.295; 37.295; 90; 90; 90;  

COD ID: 1515862
CIF file Formula: - C13 H44 Cu N6 O13 S2 -
Comments: Seeber, Georg; Cooper, Geoffrey J. T.; Newton, Graham N.; Rosnes, Mali H.; Long, De-Liang; Kariuki, Benson M.; Kögerler, Paul; Cronin, Leroy Following the self assembly of supramolecular MOFs using X-ray crystallography and cryospray mass spectrometry Chemical Science 1(1) (2010) 62
Space group: P -3 c 1
Cell volume: 8634.8
Cell parameters: 28.3688; 28.3688; 12.3891; 90; 90; 120;  

COD ID: 1515863
CIF file Formula: - C66 H76 F24 N12 O4 P4 -
Comments: Sue, Chi-Hau; Basu, Subhadeep; Fahrenbach, Albert C.; Shveyd, Alexander K.; Dey, Sanjeev K.; Botros, Youssry Y.; Stoddart, J. Fraser Enabling tetracationic cyclophane production by trading templates Chemical Science 1(1) (2010) 119
Space group: P 1 21/c 1
Cell volume: 3751.6
Cell parameters: 13.8458; 22.974; 13.2064; 90; 116.74; 90;  

COD ID: 1515864
CIF file Formula: - C36 H32 F24 N4 P4 -
Comments: Sue, Chi-Hau; Basu, Subhadeep; Fahrenbach, Albert C.; Shveyd, Alexander K.; Dey, Sanjeev K.; Botros, Youssry Y.; Stoddart, J. Fraser Enabling tetracationic cyclophane production by trading templates Chemical Science 1(1) (2010) 119
Space group: P 1 21/c 1
Cell volume: 2060.4
Cell parameters: 7.3165; 13.7561; 20.634; 90; 97.195; 90;  

COD ID: 1515865
CIF file Formula: - C64.5 H58 Cl3 N O8 U -
Comments: Beer, Stephan; Berryman, Orion B.; Ajami, Dariush; Rebek Jr., Julius Encapsulation of the uranyl dication Chemical Science 1(1) (2010) 43
Space group: P 1 21/n 1
Cell volume: 5901
Cell parameters: 14.258; 18.699; 23.046; 90; 106.19; 90;  

COD ID: 1515866
CIF file Formula: - C73 H86 N2 O18 U -
Comments: Beer, Stephan; Berryman, Orion B.; Ajami, Dariush; Rebek Jr., Julius Encapsulation of the uranyl dication Chemical Science 1(1) (2010) 43
Space group: C 1 c 1
Cell volume: 7007
Cell parameters: 18.534; 19.636; 19.425; 90; 97.62; 90;  

COD ID: 1515867
CIF file Formula: - C71 H50 B F24 Ir N O P -
Comments: Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates Chemical Science 1(1) (2010) 72
Space group: P -1
Cell volume: 3286.93
Cell parameters: 13.9209; 15.6412; 17.1341; 104.914; 106.384; 102.47;  

COD ID: 1515868
CIF file Formula: - C68.95 H68.7 B Cl1.1 F24 Ir N O P -
Comments: Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates Chemical Science 1(1) (2010) 72
Space group: P 21 21 21
Cell volume: 7146
Cell parameters: 13.5137; 19.4816; 27.1434; 90; 90; 90;  

COD ID: 1515869
CIF file Formula: - C72 H74 B F24 Ir N O2 P -
Comments: Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates Chemical Science 1(1) (2010) 72
Space group: C 1 2 1
Cell volume: 14398.5
Cell parameters: 44.28; 12.7293; 25.6592; 90; 95.409; 90;  

COD ID: 1515870
CIF file Formula: - C77 H56 B F24 Ir N O P -
Comments: Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates Chemical Science 1(1) (2010) 72
Space group: P 1
Cell volume: 3487.6
Cell parameters: 12.8218; 14.836; 18.8757; 96.898; 99.557; 95.874;  

COD ID: 1515871
CIF file Formula: - C23 H19 N O -
Comments: Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates Chemical Science 1(1) (2010) 72
Space group: P 1
Cell volume: 1704.86
Cell parameters: 7.6503; 12.8616; 18.8654; 106.228; 98.815; 101.265;  

COD ID: 1515872
CIF file Formula: - C48 H36 B F24 Ir -
Comments: Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates Chemical Science 1(1) (2010) 72
Space group: P 1 21/c 1
Cell volume: 4649.9
Cell parameters: 13.2952; 18.3006; 19.3162; 90; 98.362; 90;  

COD ID: 1515925
CIF file Formula: - C6 H7 Br O4 -
Comments: Fiore, Gina L.; Jing, Feng; Young, Jr., Victor G.; Cramer, Christopher J.; Hillmyer, Marc A. High Tg aliphatic polyesters by the polymerization of spirolactide derivatives Polymer Chemistry 1(6) (2010) 870
Space group: P 1 21 1
Cell volume: 389.1
Cell parameters: 8.349; 5.2884; 9.007; 90; 101.9; 90;  

COD ID: 1515926
CIF file Formula: - C6 H6 O4 -
Comments: Fiore, Gina L.; Jing, Feng; Young, Jr., Victor G.; Cramer, Christopher J.; Hillmyer, Marc A. High Tg aliphatic polyesters by the polymerization of spirolactide derivatives Polymer Chemistry 1(6) (2010) 870
Space group: P 1 21 1
Cell volume: 311.29
Cell parameters: 5.7525; 7.0293; 7.8151; 90; 99.916; 90;  

COD ID: 1515927
CIF file Formula: - C22 H19 N -
Comments: Greenberg, Sharonna; Stephan, Douglas W. Hydroamination as a route to nitrogen-containing oligomers Polymer Chemistry 1(8) (2010) 1332
Space group: P b c a
Cell volume: 3294.5
Cell parameters: 16.1137; 8.8958; 22.983; 90; 90; 90;  

COD ID: 1515928
CIF file Formula: - C20 H17 N -
Comments: Greenberg, Sharonna; Stephan, Douglas W. Hydroamination as a route to nitrogen-containing oligomers Polymer Chemistry 1(8) (2010) 1332
Space group: P 1 21/n 1
Cell volume: 1477.2
Cell parameters: 5.5976; 8.3168; 31.769; 90; 92.784; 90;  

COD ID: 1515929
CIF file Formula: - C26 H29 N -
Comments: Greenberg, Sharonna; Stephan, Douglas W. Hydroamination as a route to nitrogen-containing oligomers Polymer Chemistry 1(8) (2010) 1332
Space group: P 1 21/c 1
Cell volume: 2078.91
Cell parameters: 11.2839; 11.8464; 15.6094; 90; 94.908; 90;  

COD ID: 1515948
CIF file Formula: - C28 H26 N2 O4 Ti -
Comments: Claffey, James; Deally, Anthony; Gleeson, Brendan; Hogan, Megan; Méndez, Luis Miguel Menéndez; Müller-Bunz, Helge; Patil, Siddappa; Wallis, Denise; Tacke, Matthias Pseudo-halide derivatives of titanocene: synthesis and cytotoxicity studies. Metallomics : integrated biometal science 1(6) (2009) 511-517
Space group: C 1 2 1
Cell volume: 1164.31
Cell parameters: 25.394; 7.3361; 6.313; 90; 98.11; 90;  

COD ID: 1515949
CIF file Formula: - C28 H26 N2 O2 S2 Ti -
Comments: Claffey, James; Deally, Anthony; Gleeson, Brendan; Hogan, Megan; Méndez, Luis Miguel Menéndez; Müller-Bunz, Helge; Patil, Siddappa; Wallis, Denise; Tacke, Matthias Pseudo-halide derivatives of titanocene: synthesis and cytotoxicity studies. Metallomics : integrated biometal science 1(6) (2009) 511-517
Space group: C 1 2/c 1
Cell volume: 2502.4
Cell parameters: 14.6085; 7.9381; 21.7937; 90; 98.048; 90;  

COD ID: 1515997
CIF file Formula: - C56 H56 B Cl Co F4 N4 P4 -
Comments: Jacobsen, George M.; Yang, Jenny Y.; Twamley, Brendan; Wilson, Aaron D.; Bullock, R. Morris; Rakowski DuBois, M.; DuBois, Daniel L. Hydrogen production using cobalt-based molecular catalysts containing a proton relay in the second coordination sphere Energy & Environmental Science 1(1) (2008) 167
Space group: C 1 2/c 1
Cell volume: 10793.8
Cell parameters: 34.2939; 12.9425; 28.6361; 90; 121.872; 90;  

COD ID: 1515998
CIF file Formula: - C34 H37 B2 Co F8 N5 P2 -
Comments: Jacobsen, George M.; Yang, Jenny Y.; Twamley, Brendan; Wilson, Aaron D.; Bullock, R. Morris; Rakowski DuBois, M.; DuBois, Daniel L. Hydrogen production using cobalt-based molecular catalysts containing a proton relay in the second coordination sphere Energy & Environmental Science 1(1) (2008) 167
Space group: P 1 21/n 1
Cell volume: 3566.7
Cell parameters: 10.0584; 20.1715; 17.605; 90; 93.102; 90;  

COD ID: 1516611
CIF file Formula: - C17 H14 N2 O3 -
Comments: Griesbeck, Axel G.; Kramer, Wolfgang; Heinrich, Thomas; Lex, Johann Photocyclization of N,N-phthaloylanthranilic amides coupled to ω-amino acids with increasing chain lengths Photochemical & Photobiological Sciences 1(4) (2002) 237
Space group: P b c a
Cell volume: 2855.2
Cell parameters: 11.398; 15.357; 16.312; 90; 90; 90;  

COD ID: 1516612
CIF file Formula: - C17 H11 F O2 -
Comments: Vishnumurthy, Kodumuru; Guru Row, Tayur N.; Venkatesan, Kailasam Photochemical behaviour of 4-styrylcoumarin polymorphs in the crystalline state Photochemical & Photobiological Sciences 1(10) (2002) 799
Space group: P 1 c 1
Cell volume: 634
Cell parameters: 6.879; 3.929; 23.459; 90; 90.35; 90;  

COD ID: 1516613
CIF file Formula: - C17 H12 O2 -
Comments: Vishnumurthy, Kodumuru; Guru Row, Tayur N.; Venkatesan, Kailasam Photochemical behaviour of 4-styrylcoumarin polymorphs in the crystalline state Photochemical & Photobiological Sciences 1(10) (2002) 799
Space group: P 1 21/n 1
Cell volume: 2547.5
Cell parameters: 17.057; 8.229; 18.261; 90; 96.33; 90;  

COD ID: 1516614
CIF file Formula: - C25 H29 N O2 -
Comments: Hopfner, Matthias; Weiß, Harald; Meissner, Dieter; Heinemann, Frank W.; Kisch, Horst Semiconductor photocatalysis type B: synthesis of unsaturated α-amino esters from imines and olefins photocatalyzed by silica-supported cadmium sulfide Photochemical & Photobiological Sciences 1(9) (2002) 696-703
Space group: P 1 21 1
Cell volume: 2180.8
Cell parameters: 8.464; 25.375; 10.154; 90; 90.42; 90;  

COD ID: 1516615
CIF file Formula: - C22 H25 N O2 -
Comments: Hopfner, Matthias; Weiß, Harald; Meissner, Dieter; Heinemann, Frank W.; Kisch, Horst Semiconductor photocatalysis type B: synthesis of unsaturated α-amino esters from imines and olefins photocatalyzed by silica-supported cadmium sulfide Photochemical & Photobiological Sciences 1(9) (2002) 696-703
Space group: P 1 21/n 1
Cell volume: 1880.6
Cell parameters: 14.56; 6.584; 20.801; 90; 109.42; 90;  

COD ID: 1516616
CIF file Formula: - C20 H23 N O2 -
Comments: Hopfner, Matthias; Weiß, Harald; Meissner, Dieter; Heinemann, Frank W.; Kisch, Horst Semiconductor photocatalysis type B: synthesis of unsaturated α-amino esters from imines and olefins photocatalyzed by silica-supported cadmium sulfide Photochemical & Photobiological Sciences 1(9) (2002) 696-703
Space group: P 1 21/n 1
Cell volume: 1751.5
Cell parameters: 9.801; 17.753; 10.068; 90; 91.02; 90;  

COD ID: 1516617
CIF file Formula: - C23 H25 N O2 -
Comments: Hopfner, Matthias; Weiß, Harald; Meissner, Dieter; Heinemann, Frank W.; Kisch, Horst Semiconductor photocatalysis type B: synthesis of unsaturated α-amino esters from imines and olefins photocatalyzed by silica-supported cadmium sulfide Photochemical & Photobiological Sciences 1(9) (2002) 696-703
Space group: P b c a
Cell volume: 3829.9
Cell parameters: 17.47; 11.704; 18.731; 90; 90; 90;  

COD ID: 1517106
CIF file Formula: - C H4 B3 O6 -
Comments: Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas On the reticular construction concept of covalent organic frameworks. Beilstein journal of nanotechnology 1 (2010) 60-70
Space group: C 1 2/m 1
Cell volume: 1808.88
Cell parameters: 28.1808; 17.4764; 3.6978; 90; 96.658; 90;  

COD ID: 1517107
CIF file Formula: - C8 H4 B3 O3 -
Comments: Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas On the reticular construction concept of covalent organic frameworks. Beilstein journal of nanotechnology 1 (2010) 60-70
Space group: C 1 2/m 1
Cell volume: 2943.89
Cell parameters: 35.7342; 22.3206; 3.6909; 90; 90.014; 90;  

COD ID: 1517108
CIF file Formula: - C6 H4 B3 O3 -
Comments: Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas On the reticular construction concept of covalent organic frameworks. Beilstein journal of nanotechnology 1 (2010) 60-70
Space group: C 1 2/m 1
Cell volume: 2972.02
Cell parameters: 35.9717; 22.4102; 3.6868; 90; 90.259; 90;  

COD ID: 1517109
CIF file Formula: - C60 H24 B6 O12 -
Comments: Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas On the reticular construction concept of covalent organic frameworks. Beilstein journal of nanotechnology 1 (2010) 60-70
Space group: C 1 2/m 1
Cell volume: 5010.46
Cell parameters: 46.6585; 29.0485; 3.7052; 90; 93.864; 90;  

COD ID: 1517110
CIF file Formula: - C24 H12 B3 O3 -
Comments: Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas On the reticular construction concept of covalent organic frameworks. Beilstein journal of nanotechnology 1 (2010) 60-70
Space group: C m c m
Cell volume: 5884.71
Cell parameters: 22.3206; 38.6604; 6.8195; 90; 90; 90;  

COD ID: 1517111
CIF file Formula: - C6 H4 B O -
Comments: Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas On the reticular construction concept of covalent organic frameworks. Beilstein journal of nanotechnology 1 (2010) 60-70
Space group: P 6/m m m
Cell volume: 1518.13
Cell parameters: 22.4102; 22.4102; 3.4905; 90; 90; 120;  

COD ID: 1517112
CIF file Formula: - C21 H6 B3 O6 -
Comments: Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas On the reticular construction concept of covalent organic frameworks. Beilstein journal of nanotechnology 1 (2010) 60-70
Space group: C 1 2/m 1
Cell volume: 1807.43
Cell parameters: 16.2172; 30.27; 3.6865; 90; 92.86; 90;  

COD ID: 1517113
CIF file Formula: - C72 H36 B6 O12 -
Comments: Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas On the reticular construction concept of covalent organic frameworks. Beilstein journal of nanotechnology 1 (2010) 60-70
Space group: C 1 2/m 1
Cell volume: 8313.45
Cell parameters: 60.3114; 37.583; 3.6711; 90; 92.477; 90;  

COD ID: 1517114
CIF file Formula: - C18 H12 B3 O3 -
Comments: Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas On the reticular construction concept of covalent organic frameworks. Beilstein journal of nanotechnology 1 (2010) 60-70
Space group: C m c m
Cell volume: 5937.96
Cell parameters: 22.4102; 38.8156; 6.8263; 90; 90; 90;  

COD ID: 1517115
CIF file Formula: - C6 H4 B O -
Comments: Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas On the reticular construction concept of covalent organic frameworks. Beilstein journal of nanotechnology 1 (2010) 60-70
Space group: P 63/m m c
Cell volume: 2641.56
Cell parameters: 22.4102; 22.4102; 6.0735; 90; 90; 120;  

COD ID: 1517116
CIF file Formula: - C8 H4 B O -
Comments: Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas On the reticular construction concept of covalent organic frameworks. Beilstein journal of nanotechnology 1 (2010) 60-70
Space group: P 63/m m c
Cell volume: 2561.42
Cell parameters: 22.3206; 22.3206; 5.9366; 90; 90; 120;  

COD ID: 1517117
CIF file Formula: - C21 H6 B3 O6 -
Comments: Lukose, Binit; Kuc, Agnieszka; Frenzel, Johannes; Heine, Thomas On the reticular construction concept of covalent organic frameworks. Beilstein journal of nanotechnology 1 (2010) 60-70
Space group: C m c m
Cell volume: 3607.59
Cell parameters: 17.4764; 30.27; 6.8195; 90; 90; 90;  

COD ID: 1518606
CIF file Formula: - Cl2 O5 Sb4 -
Comments: Maja Edstrand On the crystal structure of the antimony oxychloride Sb4O5Cl2 and isomorphous oxybromide Acta Chemica Scandinavica 1 (1947) 178-203
Space group: P 1 21/c 1
Cell volume: 426.003
Cell parameters: 6.229; 5.107; 13.5; 90; 97.27; 90;  

COD ID: 1518607
CIF file Formula: - Br2 O5 Sb4 -
Comments: Maja Edstrand On the crystal structure of the antimony oxychloride Sb4O5Cl2 and isomorphous oxybromide Acta Chemica Scandinavica 1 (1947) 178-203
Space group: P 1 21/c 1
Cell volume: 450.194
Cell parameters: 6.593; 5.133; 13.43; 90; 97.89; 90;  

COD ID: 1519005
CIF file Formula: - Ba Ca H2 O8 P2 -
Comments: Taher, L. B.; Chabchoub, S.; Smiri-Dogguy, L. Investigation of mixed alkaline earth phosphates. Synthesis and crystal structure of CaBa(HPO4)2 : A new mixed alkaline earth hydrogenmonophosphate Solid State Sciences 1 (1999) 15-24
Space group: P 1 21/a 1
Cell volume: 667.1
Cell parameters: 9.47; 7.93; 9.865; 90; 115.78; 90;  

COD ID: 1519006
CIF file Formula: - C2 H9 Al3 N O13 P3 -
Comments: Soulard, M.; Patarin, J.; Marler, B. Synthesis and structure of Mu-10 : a novel microporous hydroxyaluminophosphate (CH3)2NH2.Al3P3O12OH closely related to AlPO4-EN3 Solid State Sciences 1 (1999) 37-53
Space group: P b c a
Cell volume: 2449.6
Cell parameters: 13.678; 10.318; 17.357; 90; 90; 90;  

COD ID: 1519007
CIF file Formula: - Cu3 F K3 O16 P4 Zn2 -
Comments: Massa, W.; Yakubovich, O. V.; Dem Yanetz, L. N. New open framework in the structure of K3[Cu3FZn2(PO4)4] Solid State Sciences 1 (1999) 109-118
Space group: C 1 2/c 1
Cell volume: 6184
Cell parameters: 37.824; 9.813; 16.679; 90; 92.7; 90;  

COD ID: 1519008
CIF file Formula: - C17 H16 Cu N2 O2 -
Comments: Chen, B. H.; Yao, H. H.; Huang, W. T.; Chattopadhyay, P.; Lo, J. M.; Lu, T. H. Syntheses and molecular structures of three Cu(II) complexes with tetradentate imine-phenols Solid State Sciences 1 (1999) 119-131
Space group: P n a 21
Cell volume: 1480.6
Cell parameters: 12.021; 17.918; 6.874; 90; 90; 90;  

COD ID: 1519009
CIF file Formula: - C19 H20 Cu N2 O2 -
Comments: Chen, B. H.; Yao, H. H.; Huang, W. T.; Chattopadhyay, P.; Lo, J. M.; Lu, T. H. Syntheses and molecular structures of three Cu(II) complexes with tetradentate imine-phenols Solid State Sciences 1 (1999) 119-131
Space group: P 1 21/n 1
Cell volume: 1746
Cell parameters: 9.7329; 17.187; 11.338; 90; 112.99; 90;  

COD ID: 1519010
CIF file Formula: - C38 H40 Cu2 N4 O4 -
Comments: Chen, B. H.; Yao, H. H.; Huang, W. T.; Chattopadhyay, P.; Lo, J. M.; Lu, T. H. Syntheses and molecular structures of three Cu(II) complexes with tetradentate imine-phenols Solid State Sciences 1 (1999) 119-131
Space group: A 1 2/n 1
Cell volume: 3574.9
Cell parameters: 18.888; 10.3781; 19.93; 90; 113.786; 90;  

COD ID: 1519011
CIF file Formula: - H4 Mn O8 V2 -
Comments: M. Ishaque Khan; T. Hope; S. Tabassum Synthesis, reactivity, x-ray structure and thermal study of the mixed-metal oxide hydrate [Mn(H2O)2V2O6] Solid State Sciences 1 (1999) 163-178
Space group: P n m a
Cell volume: 737.3
Cell parameters: 5.6085; 10.917; 12.042; 90; 90; 90;  

COD ID: 1519012
CIF file Formula: - C12 H18 K6 Mo2 O24 -
Comments: Zhou, X.-H.; Xing, Y.-H.; Xu, J.-Q.; Li, D.-M.; Wang, R.-Z.; Liu, S.-Q.; Zeng, Q.-X.; Huang, X.-Y. Mobybdenum(VI)-oxygen complex containing citrage ligand: synthesis and characterization of K6[Mo205(cit)2].5H20 Solid State Sciences 1 (1999) 189-198
Space group: P -1
Cell volume: 1455.3
Cell parameters: 11.843; 13.717; 10.287; 108.11; 99.42; 66.52;  

COD ID: 1519013
CIF file Formula: - Cl8 F13 Na2 Nb7 -
Comments: Cordier, S.; Simon, A. The first chlorofluoride in niobium cluster chemistry structure of the double salt : NaxNb7F(21-y)Cly (X = 2; y = 8) Solid State Sciences 1 (1999) 199-209
Space group: P m -3 m
Cell volume: 551.47
Cell parameters: 8.2005; 8.2005; 8.2005; 90; 90; 90;  

COD ID: 1519014
CIF file Formula: - D4 F2 N2 Sn -
Comments: Reusch, U.; Schweda, R. The transformation of Sn(ND3)2F4 into Sn(ND2)2F2z. Synthesis and neutron crystal structure determination of Sn(ND2)2F2 Solid State Sciences 1 (1999) 233-243
Space group: C 1 2/m 1
Cell volume: 170.284
Cell parameters: 10.7292; 3.2597; 5.0579; 90; 105.713; 90;  

COD ID: 1519015
CIF file Formula: - O9 Se2 V2 -
Comments: Millet, P.; Galy, J.; Johnsson, M. Crystal growth and structure of V2VSe2IVO9 ; comparison with V2Te209 Solid State Sciences 1 (1999) 279-286
Space group: P 1 21/n 1
Cell volume: 687.79
Cell parameters: 8.056; 10.365; 8.45; 90; 102.893; 90;  

COD ID: 1519016
CIF file Formula: - C16 H26 N2 O7 P2 -
Comments: Hlel, F.; Smiri, L. Synthesis and crystal structure of bis (2-phenylethylammonium) dihydrogendimphosphate, [C6H5(CH2)2NH3]2H2P2O7 Solid State Sciences 1 (1999) 321-329
Space group: P 1 21/c 1
Cell volume: 2212.4
Cell parameters: 19.006; 10.718; 10.996; 90; 98.99; 90;  

COD ID: 1519017
CIF file Formula: - C6 H25 Al6 F3 N4 O26 P6 -
Comments: Simon, N.; Loiseau, T.; Ferey, G. Synthesis and crystal structure of MIL-27, a new oxyfluorinated three-dimensional framework metallophosphate obtained with aluminium in four, five and sixfold coordination and templated with the tris(2-aminoethyl)amine Solid State Sciences 1 (1999) 339-349
Space group: C 1 2/c 1
Cell volume: 3031.24
Cell parameters: 14.2604; 11.5999; 18.3249; 90; 90.324; 90;  

COD ID: 1519018
CIF file Formula: - Ca3 Mn1.08 Ni0.92 O6 -
Comments: Bazuev, G. V.; Zubkov, V. G.; Berger, I. F.; Arbuzova, T. I. Crystal structure and magnetic properties of a one dimensional complex oxide Ca3NiMnO6 Solid State Sciences 1 (1999) 365-372
Space group: R -3 c :H
Cell volume: 762.62
Cell parameters: 9.1227; 9.1227; 10.5811; 90; 90; 120;  

COD ID: 1519021
CIF file Formula: - Ca Na2 O7 P2 -
Comments: Bennazha, J.; Boukhari, A.; Holt, E. M. Synthesis and crystal structure of Na2CaP2O7 Solid State Sciences 1 (1999) 373-380
Space group: P -1
Cell volume: 308.3
Cell parameters: 5.361; 7.029; 8.743; 69.4; 89.02; 88.78;  

COD ID: 1519022
CIF file Formula: - C12 H54 N8 O24 P6 -
Comments: Marouani, H.; Rzaigui, M. Synthesis and crystal structure of((NH3CH2CH2)3N)2P6O18.6H2O Solid State Sciences 1 (1999) 395-408
Space group: P -1
Cell volume: 924.1
Cell parameters: 10.281; 11.083; 9.307; 103.83; 108.56; 68.11;  

COD ID: 1519023
CIF file Formula: - Ba5 F19 In3 -
Comments: de Kozak, A.; Dupont, N.; Gredin, P.; Riou, D. The crystal structure of Ba5In3F19 : a new structural type in fluoride crystal chemistry Solid State Sciences 1 (1999) 409-419
Space group: P 43
Cell volume: 3488.6
Cell parameters: 14.983; 14.983; 15.54; 90; 90; 90;  


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