Crystallography Open Database

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COD ID: 1000043
CIF file Formula: - Ca F2 -
Comments: Cheetham, A K; Fender, B E F; Cooper, M J Defect structure of calcium fluoride containing excess anions: I. Bragg scattering Journal of Physics C 4 (1971) 3107-3121
Space group: F m -3 m
Cell volume: 163
Cell parameters: 5.462; 5.462; 5.462; 90; 90; 90;  

COD ID: 1000284
CIF file Formula: - Ba2 Cu O8 Pt Y2 -
Comments: Laligant, Y; Ferey, G; Hervieu, M; Raveau, B Synthesis and Single-Crystal Refinement of Ba~2~ Y~2~ Cu Pt O~8~ Europhysics Letters 4 (1987) 1023-1029
Space group: P n m a
Cell volume: 774.2
Cell parameters: 13.207; 5.68; 10.321; 90; 90; 90;  

COD ID: 1001053
CIF file Formula: - Cr O6 Ta2 -
Comments: Massard, P; Bernier, J C; Michel, A Effet Jahn-Teller dans le Systeme Ta~2~ Cr O~6~ - Ta Cr O~4~ Journal of Solid State Chemistry 4 (1972) 269-274
Space group: P 1 21/c 1
Cell volume: 209.5
Cell parameters: 4.74; 4.75; 9.305; 90; 90.95; 90;  

COD ID: 1001074
CIF file Formula: - Ge3 K O9 Ta -
Comments: Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry 4 (1972) 209-218
Space group: P -6 c 2
Cell volume: 427
Cell parameters: 6.972; 6.972; 10.144; 90; 90; 120;  

COD ID: 1001075
CIF file Formula: - Ge3 O9 Rb Ta -
Comments: Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux qermanates et silicates de type benitoite Journal of Solid State Chemistry 4 (1972) 209-218
Space group: P -6 c 2
Cell volume: 434.3
Cell parameters: 7.041; 7.041; 10.116; 90; 90; 120;  

COD ID: 1001076
CIF file Formula: - Ge3 Nb O9 Rb -
Comments: Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry 4 (1972) 209-218
Space group: P -6 c 2
Cell volume: 434.6
Cell parameters: 7.038; 7.038; 10.132; 90; 90; 120;  

COD ID: 1001077
CIF file Formula: - Ge3 O9 Ta Tl -
Comments: Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry 4 (1972) 209-218
Space group: P -6 c 2
Cell volume: 434
Cell parameters: 7.036; 7.036; 10.124; 90; 90; 120;  

COD ID: 1001078
CIF file Formula: - Ba Ge3 O9 Sn -
Comments: Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry 4 (1972) 209-218
Space group: P -6 c 2
Cell volume: 421.2
Cell parameters: 6.894; 6.894; 10.233; 90; 90; 120;  

COD ID: 1001597
CIF file Formula: - C Cu2 O10 Pb0.5 Sr4 Tl0.5 -
Comments: Hervieu, M; Michel, C; Huve, M; Martin, C; Maignan, A; Raveau, B High resolution electron microscopy study of the high T~c~ superconductor Tl~0.5~Pb~0.5~Sr~4~Cu~2~CO~3~O~7~ Microscopy, Microanalysis, Microstructures 4 (1993) 41-50
Space group: P 4/m m m
Cell volume: 241.6
Cell parameters: 3.8244; 3.8244; 16.51599; 90; 90; 90;  

COD ID: 1001669
CIF file Formula: - Hg O14 P4 V2 -
Comments: Boudin, S; Grandin, A; Leclaire, A; Borel, M M; Raveau, B Two new diphosphates with Sr V2 (P2 O7)2 structure: mercury and lead phases Journal of Materials Chemistry 4(12) (1994) 1889-1892
Space group: P -1
Cell volume: 258.2
Cell parameters: 4.848; 6.892; 8.077; 92.65; 93.26; 106.23;  

COD ID: 1001670
CIF file Formula: - O14 P4 Pb V2 -
Comments: Boudin, S; Grandin, A; Leclaire, A; Borel, M M; Raveau, B Two new diphosphates with Sr V2 (P2 O7)2 structure: mercury and lead phases Journal of Materials Chemistry 4(12) (1994) 1889-1892
Space group: P -1
Cell volume: 259
Cell parameters: 4.804; 7.113; 7.898; 89.78; 92.62; 106.1;  

COD ID: 1001671
CIF file Formula: - Cu Nd2 O3.5 -
Comments: Choisnet, J; Mouron, M; Crespin, M; van Aken, P A; Mueller, W F Perovskite-like intergrowth structure of the reduced cuprate Nd2 Cu O3.5: a combination of defect and excess oxygen non-stoichiometry phenomena Journal of Materials Chemistry 4(6) (1994) 895-898
Space group: I m m m
Cell volume: 190.2
Cell parameters: 4.237; 3.7675; 11.917; 90; 90; 90;  

COD ID: 1001773
CIF file Formula: - Ba O9 Si3 Sn -
Comments: Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry 4 (1972) 209-218
Space group: P -6 c 2
Cell volume: 385.7
Cell parameters: 6.728; 6.728; 9.838; 90; 90; 120;  

COD ID: 1004031
CIF file Formula: - C5 H18 N2 O9 P2 Zn -
Comments: Fleith, S.; Josien, L.; Simon-Masseron, A.; Gramlich, V.; Patarin, J. Synthesis and characterization of the one-dimensional zincophosphate Mu-22 : [Zn(HPO4)2]8[C5H13N2]8•8H2O Solid State Sciences 4(1) (2002) 135-141
Space group: C 1 2/c 1
Cell volume: 2532.2
Cell parameters: 13.917; 9.091; 20.489; 90; 102.36; 90;  

COD ID: 1004109
CIF file Formula: - Ni3 O9 Sr4 -
Comments: Abraham, F; Minaud, S; Renard, C Preliminary crystal structure of mixed-valency Sr4 Ni3 O9, the actual formula of the so-called Sr5 Ni4 O11 Journal of Materials Chemistry 4(11) (1994) 1763-1764
Space group: P 3 2 1
Cell volume: 608.6
Cell parameters: 9.477; 9.477; 7.825; 90; 90; 120;  

COD ID: 1005011
CIF file Formula: - Li Mo N2 -
Comments: Elder, S H; Doerrer, L H; DiSalvo, F J; Parise, J B; Guyomard, D; Tarascon, J M LiMoN~2~: the first metallic layered nitride Chemistry of Materials (1,1989- 4(4) (1992) 928-937
Space group: R 3 :H
Cell volume: 112.5
Cell parameters: 2.8674; 2.8674; 15.801; 90; 90; 120;  

COD ID: 1008282
CIF file Formula: - Mg2 O4 Pt -
Comments: Muller, O; Roy, R Synthesis and crystal structure of Mg~2~ Pt O~4~ and Zn~2~ Pt O~4~ Materials Research Bulletin 4 (1969) 39-44
Space group: F d -3 m :1
Cell volume: 618.7
Cell parameters: 8.521; 8.521; 8.521; 90; 90; 90;  

COD ID: 1008283
CIF file Formula: - O4 Pt Zn2 -
Comments: Muller, O; Roy, R Synthesis and crystal structure of Mg~2~ Pt O~4~ and Zn~2~ Pt O~4~ Materials Research Bulletin 4 (1969) 39-44
Space group: F d -3 m :1
Cell volume: 624.8
Cell parameters: 8.549; 8.549; 8.549; 90; 90; 90;  

COD ID: 1008499
CIF file Formula: - C1.5 Fe11 Th -
Comments: Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2) Journal of Physics: Condensed Matter 4 (1992) 6367-6374
Space group: I 41/a m d :2
Cell volume: 688.2
Cell parameters: 10.203; 10.203; 6.611; 90; 90; 90;  

COD ID: 1008500
CIF file Formula: - C2 Fe11 Th -
Comments: Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2) Journal of Physics: Condensed Matter 4 (1992) 6367-6374
Space group: I 41/a m d :2
Cell volume: 698.4
Cell parameters: 10.249; 10.249; 6.649; 90; 90; 90;  

COD ID: 1008501
CIF file Formula: - C1.35 Fe11 Th -
Comments: Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2) Journal of Physics: Condensed Matter 4 (1992) 6367-6374
Space group: I 41/a m d :2
Cell volume: 686.4
Cell parameters: 10.191; 10.191; 6.609; 90; 90; 90;  

COD ID: 1008502
CIF file Formula: - C1.5 Fe11 Th -
Comments: Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2) Journal of Physics: Condensed Matter 4 (1992) 6367-6374
Space group: I 41/a m d :2
Cell volume: 684.5
Cell parameters: 10.19; 10.19; 6.592; 90; 90; 90;  

COD ID: 1008503
CIF file Formula: - C2 Fe11 Th -
Comments: Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2) Journal of Physics: Condensed Matter 4 (1992) 6367-6374
Space group: I 41/a m d :2
Cell volume: 700.9
Cell parameters: 10.262; 10.262; 6.656; 90; 90; 90;  

COD ID: 1008504
CIF file Formula: - C1.35 Fe11 Th -
Comments: Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2) Journal of Physics: Condensed Matter 4 (1992) 6367-6374
Space group: I 41/a m d :2
Cell volume: 681.2
Cell parameters: 10.174; 10.174; 6.581; 90; 90; 90;  

COD ID: 1008978
CIF file Formula: - As Cr Ni -
Comments: Nylund, M A; Roger, A; Senateur, J P; Fruchart, R Evolution structurale des phosphures, arseniures et arseniophophures M2 P, M2 As et M2 (P1-x Asx) Journal of Solid State Chemistry 4 (1972) 115-122
Space group: P -6 2 m
Cell volume: 117.8
Cell parameters: 6.102; 6.102; 3.654; 90; 90; 120;  

COD ID: 1008979
CIF file Formula: - As Cr Pd -
Comments: Deyris, B; Roy-Montreuil, J; Michel, A; Fruchart, R; Senateur, J P; Boursier, D Influence de l'electronegativite sur l'apparition de l'ordre dans les phases MM'As (M=Ru, Rh, Pd; M' = element des transition 3d) Annales de Chimie (Paris) (Vol=Year) 4 (1979) 411-417
Space group: P -6 2 m
Cell volume: 135.2
Cell parameters: 6.51; 6.51; 3.685; 90; 90; 120;  

COD ID: 1008980
CIF file Formula: - As Cr Rh -
Comments: Deyris, B; Roy-Montreuil, J; Michel, A; Fruchart, R; Senateur, J P; Boursier, D Influence de l'electronegativite sur l'apparition de l'ordre dans les phases MM'As (M=Ru, Rh, Pd; M' = element des transition 3d) Annales de Chimie (Paris) (Vol=Year) 4 (1979) 411-417
Space group: P -6 2 m
Cell volume: 131.2
Cell parameters: 6.384; 6.384; 3.718; 90; 90; 120;  

COD ID: 1008987
CIF file Formula: - As Mn Ru -
Comments: Roy-Montreuil, J; Deyris, B; Michel, A; Fruchart, R; Senateur, J P; Boursier, D Influence de l'electronegativite sur l'apparition de l'ordre dans les phases MM' P et MM' AS Annales de Chimie (Paris) (Vol=Year) 4 (1979) 411-417
Space group: P -6 2 m
Cell volume: 132.9
Cell parameters: 6.5155; 6.5155; 3.614; 90; 90; 120;  

COD ID: 1009058
CIF file Formula: - B2 Mo -
Comments: Bertaut, E. F.; Blum, P. Existence et structure d'une nouvelle phase dans le systeme Mo-B Acta Crystallographica 4(1) (1951) 72-72
Space group: P 6/m m m
Cell volume: 25.1
Cell parameters: 3.05; 3.05; 3.113; 90; 90; 120;  

COD ID: 1010041
CIF file Formula: - Pt Sb -
Comments: Thomassen, L Ueber Kristallstrukturen einiqer binaerer Verbindungen der Platinmetalle II Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 4 (1929) 277-287
Space group: P 63/m m c
Cell volume: 80.8
Cell parameters: 4.13; 4.13; 5.472; 90; 90; 120;  

COD ID: 1010324
CIF file Formula: - Ag3 O4 P -
Comments: Helmholz, L The Crystal Structure of Silver Phosphate Journal of Chemical Physics 4 (1936) 316-322
Space group: P -4 3 n
Cell volume: 215.5
Cell parameters: 5.995; 5.995; 5.995; 90; 90; 90;  

COD ID: 1010439
CIF file Formula: - H2 O -
Comments: John, A S The Crystal Structure of Ice Proceedings of the National Academy of Sciences, U.S.A. 4 (1918) 193-197
Space group:
Cell volume: 129.4
Cell parameters: 4.74; 4.74; 6.65; 90; 90; 120;  

COD ID: 1010519
CIF file Formula: - Po -
Comments: Rollier, M A; Hendricks, S B; Maxwell, L R The Crystal Structure of Polonium by Electron Diffraction Journal of Chemical Physics 4 (1936) 648-652
Space group: C 1 2 1
Cell volume: 448.6
Cell parameters: 7.42; 4.29; 14.1; 90; 92; 90;  

COD ID: 1010520
CIF file Formula: - Ge S2 -
Comments: Zachariasen, W H The Crystal Structure of Germanium Disulphide Journal of Chemical Physics 4 (1936) 618-619
Space group: F d d 2
Cell volume: 1786.9
Cell parameters: 11.66; 22.34; 6.86; 90; 90; 90;  

COD ID: 1010788
CIF file Formula: - Cl2 Mn -
Comments: Bruni, G; Ferrari, A Sulla struttura cristallina di alcuni cloruri bivalenti Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945) 4 (1926) 10-13
Space group:
Cell volume: 12.8
Cell parameters: 2.34; 2.34; 2.34; 91.5; 91.5; 91.5;  

COD ID: 1010798
CIF file Formula: - C4 H8 Ba N4 O4 Pd -
Comments: de Rassenfosse, A; Pierard, J Etude cristallographique du palladocyanure de baryum. Ba Pd (C N)~4~ (H~2~ O)~4~. Bulletin de la Societe Royal des Sciences de Liege 4 (1935) 74-79
Space group: C 1 2/c 1
Cell volume: 1076.9
Cell parameters: 11.95; 13.82; 6.71; 90; 103.63; 90;  

COD ID: 1010800
CIF file Formula: - Ca H10 N4 O5 Pt -
Comments: Brasseur, H; de Rassenfosse, A Etude cristallopraphique du platinocyanure de calcium hydrate. Bulletin de la Societe Royal des Sciences de Liege 4 (1935) 24-33
Space group:
Cell volume: 2152.5
Cell parameters: 17.08; 18.98; 6.64; 90; 90; 90;  

COD ID: 1010845
CIF file Formula: - K2 O4 -
Comments: Kassatochkin, W; Kotow, W Structure of Potassium Tetroxide Journal of Chemical Physics 4 (1936) 458-458
Space group: I 4/m m m
Cell volume: 218.3
Cell parameters: 5.7; 5.7; 6.72; 90; 90; 90;  

COD ID: 1010848
CIF file Formula: - O6 S3 Tl2 -
Comments: Ketelaar, J A A; Sanders, J K The Crystal Structure of Thallium Trithionate, Tl~2~ S~3~ O~6~ Journal of Chemical Physics 4 (1936) 621-621
Space group: C 1 2/c 1
Cell volume: 745.3
Cell parameters: 13.2; 7.45; 7.58; 90; 91; 90;  

COD ID: 1010918
CIF file Formula: - Ca H O4.5 S -
Comments: Gallitelli, P Ricerche sul solfato di calcio semidrato e sull'anidrite solubile Periodico di Mineralogia 4 (1933) 132-171
Space group: P 32 2 1 S
Cell volume: 517.6
Cell parameters: 6.86; 6.86; 12.7; 90; 90; 120;  

COD ID: 1011024
CIF file Formula: - H2 O -
Comments: McFarlan, R L The Structure of Ice III Journal of Chemical Physics 4 (1936) 253-259
Space group: I b a m (a,b,c+1/4)
Cell volume: 429.3
Cell parameters: 10.2; 5.87; 7.17; 90; 90; 90;  

COD ID: 1011063
CIF file Formula: - H2 O -
Comments: McFarlan, Ronald L. The Structure of Ice II The Journal of Chemical Physics 4(1) (1936) 60-64
Space group: C 2 2 21
Cell volume: 195.2
Cell parameters: 7.8; 4.5; 5.56; 90; 90; 90;  

COD ID: 1011101
CIF file Formula: - N Ti -
Comments: van Arkel, A E An X-ray examination of titanium nitride. I Physica (Amsterdam) (1,1921-13,1933) 4 (1924) 286-301
Space group: F m -3 m
Cell volume: 80.6
Cell parameters: 4.32; 4.32; 4.32; 90; 90; 90;  

COD ID: 1011115
CIF file Formula: - C2 H10 N2 O5 -
Comments: Hendriks, S B; Jefferson, M E Electron distribution in (N H4)2 (C2 O4) . (H2 O) and the structure of the oxalate group Journal of Chemical Physics 4 (1936) 102-107
Space group: P 21 21 2
Cell volume: 315.4
Cell parameters: 8.04; 10.27; 3.82; 90; 90; 90;  

COD ID: 1011161
CIF file Formula: - Ag3 As S3 -
Comments: Harker, D The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3 Journal of Chemical Physics 4 (1936) 381-390
Space group: R 3 c :H
Cell volume: 863.1
Cell parameters: 10.74; 10.74; 8.64; 90; 90; 120;  

COD ID: 1011162
CIF file Formula: - Ag3 S3 Sb -
Comments: Harker, D The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3 Journal of Chemical Physics 4 (1936) 381-390
Space group: R 3 c :H
Cell volume: 919.4
Cell parameters: 11.04; 11.04; 8.71; 90; 90; 120;  

COD ID: 1011348
CIF file Formula: - As2 Pd -
Comments: Thomassen, L Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle II Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 4 (1929) 277-287
Space group: P a -3
Cell volume: 214.1
Cell parameters: 5.982; 5.982; 5.982; 90; 90; 90;  

COD ID: 1100115
CIF file Formula: - C8 H22 Al F5 N2 -
Comments: E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds Solid State Sciences 4 (2002) 1213-1219
Space group: P 1 21 1
Cell volume: 636.053
Cell parameters: 7.887; 5.502; 15.812; 90; 112.03; 90;  

COD ID: 1100116
CIF file Formula: - C10 H26 Al F5 N2 -
Comments: E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds Solid State Sciences 4 (2002) 1213-1219
Space group: P 1 21 1
Cell volume: 735.303
Cell parameters: 7.881; 5.489; 18.36; 90; 112.21; 90;  

COD ID: 1100117
CIF file Formula: - C12 H30 Al F5 N2 -
Comments: E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds Solid State Sciences 4 (2002) 1213-1219
Space group: P 1 21 1
Cell volume: 832.354
Cell parameters: 7.8713; 5.4739; 20.898; 90; 112.422; 90;  

COD ID: 1100120
CIF file Formula: - C2 Ba2 Co F2 O6 -
Comments: Ben Ali, A.; Maisonneuve, V.; Kodjikian, S.; Smiri, L. S.; Leblanc, M. Synthesis, crystal structure and magnetic properties of a new fluoride carbonate Ba~2~Co(CO~3~)~2~F~2~ Solid State Sciences 4(4) (2002) 503-506
Space group: P b c a
Cell volume: 686.68
Cell parameters: 6.6226; 11.494; 9.021; 90; 90; 90;  

COD ID: 1100121
CIF file Formula: - C Ba F2 Mn O3 -
Comments: Ben Ali, A.; Maisonneuve, V.; Smiri, L.S.; Leblanc, M. Synthesis and crystal structure of Ba Zn (C O3) F2; revision of the structure of Ba Mn (C O3) F2 Solid State Sciences 4(7) (2002) 891-894
Space group: P 63/m
Cell volume: 207.26
Cell parameters: 4.912; 4.912; 9.919; 90; 90; 120;  

COD ID: 1100122
CIF file Formula: - C Ba F2 O3 Zn -
Comments: Ben Ali, A.; Maisonneuve, V.; Smiri, L.S.; Leblanc, M. Synthesis and crystal structure of Ba Zn (C O3) F2; revision of the structure of Ba Mn (C O3) F2 Solid State Sciences 4(7) (2002) 891-894
Space group: P 63/m
Cell volume: 200.93
Cell parameters: 4.8523; 4.8523; 9.854; 90; 90; 120;  

COD ID: 1100127
CIF file Formula: - C2 F Na2 O6 Yb -
Comments: Ben Ali, A.; Maisonneuve, V.; Leblanc, M. Phase stability regions in the (Na2 C O3) - (Yb F3) - (H2 O) system at 190 C. Crystal structures of two new fluoride carbonates, Na2 Yb (C O3)2 F and Na3 Yb (C O3)2 F2 Solid State Sciences 4(11-12) (2002) 1367-1375
Space group: C 1 2/c 1
Cell volume: 1189.67
Cell parameters: 17.44; 6.1003; 11.2366; 90; 95.64; 90;  

COD ID: 1100128
CIF file Formula: - C2 F2 Na3 O6 Yb -
Comments: Ben Ali, A.; Maisonneuve, V.; Leblanc, M. Phase stability regions in the (Na2 C O3) - (Yb F3) - (H2 O) system at 190 C. Crystal structures of two new fluoride carbonates, Na2 Yb (C O3)2 F and Na3 Yb (C O3)2 F2 Solid State Sciences 4(11-12) (2002) 1367-1375
Space group: C 1 c 1
Cell volume: 1359.54
Cell parameters: 7.127; 29.816; 6.928; 90; 112.56; 90;  

COD ID: 1100644
CIF file Formula: - C30 H40 Cl2 N2 O6 Zn2 -
Comments: Boche, Gernot; Bosold, Ferdinand; Hermann, Holger; Marsch, Michael; Harms, Klaus; Lohrenz, J. C. W. Crystal Structure of [2-ZnCl-benzoxazole·2 THF]~2~: The Remarkable Difference between 2-ZnHal- and 2-Li-oxazoles Chemistry - A European Journal 4(5) (1998) 814-817
Space group: P -1
Cell volume: 824.81
Cell parameters: 8.6024; 10.1643; 10.2254; 86.61; 79.601; 69.707;  

COD ID: 1101061
CIF file Formula: - C36 H32 Ag2 N26 O14 Pt2 -
Comments: Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure Structure of a tetranuclear heterometallic Ag(I)-Pt(II) complex with a triazolopyrimidine derivative. Inorganic Chemistry Communications 4 (2001) 254-256
Space group: C 1 2/c 1
Cell volume: 4595
Cell parameters: 25.778; 13.521; 13.315; 90; 98.06; 90;  

COD ID: 1505170
CIF file Formula: - C40 H38 N8 O4 -
Comments: Aakeröy, Christer B.; Fasulo, Meg E.; Desper, John Cocrystal or Salt: Does It Really Matter? Molecular Pharmaceutics 4(3) (2007) 317
Space group: P 1 21/n 1
Cell volume: 1712.1
Cell parameters: 5.6367; 32.91; 9.4476; 90; 102.342; 90;  

COD ID: 1505171
CIF file Formula: - C15 H11 F2 N3 O2 -
Comments: Aakeröy, Christer B.; Fasulo, Meg E.; Desper, John Cocrystal or Salt: Does It Really Matter? Molecular Pharmaceutics 4(3) (2007) 317
Space group: P 1 21/n 1
Cell volume: 1382.1
Cell parameters: 7.1555; 17.958; 10.9686; 90; 101.301; 90;  

COD ID: 1505172
CIF file Formula: - C32 H39 N3 O4 -
Comments: Aakeröy, Christer B.; Fasulo, Meg E.; Desper, John Cocrystal or Salt: Does It Really Matter? Molecular Pharmaceutics 4(3) (2007) 317
Space group: P -1
Cell volume: 1364.42
Cell parameters: 8.8864; 11.9875; 13.7015; 99.38; 93.191; 107.556;  

COD ID: 1505173
CIF file Formula: - C32 H24 N8 O12 -
Comments: Aakeröy, Christer B.; Fasulo, Meg E.; Desper, John Cocrystal or Salt: Does It Really Matter? Molecular Pharmaceutics 4(3) (2007) 317
Space group: P -1
Cell volume: 1551.53
Cell parameters: 9.7657; 11.7691; 14.0803; 86.227; 74.163; 86.202;  

COD ID: 1505174
CIF file Formula: - C13 H16 N4 O4 -
Comments: Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics 4(3) (2007) 323
Space group: P 1 21/m 1
Cell volume: 686.98
Cell parameters: 8.7478; 6.5361; 12.5842; 90; 107.296; 90;  

COD ID: 1505175
CIF file Formula: - C14 H15 N4 O5 -
Comments: Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics 4(3) (2007) 323
Space group: P 1 21/n 1
Cell volume: 1382.32
Cell parameters: 6.9183; 25.9086; 7.9749; 90; 104.754; 90;  

COD ID: 1505176
CIF file Formula: - C18 H16 N4 O5 -
Comments: Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics 4(3) (2007) 323
Space group: P 1 21/c 1
Cell volume: 3308.2
Cell parameters: 11.814; 31.707; 8.92; 90; 98.072; 90;  

COD ID: 1505177
CIF file Formula: - C14 H14 N4 O5 -
Comments: Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics 4(3) (2007) 323
Space group: P 1 21/c 1
Cell volume: 1397.2
Cell parameters: 7.1201; 7.928; 24.763; 90; 91.66; 90;  

COD ID: 1505178
CIF file Formula: - C15 H17 N5 O4 -
Comments: Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics 4(3) (2007) 323
Space group: P 1 21/n 1
Cell volume: 1528.59
Cell parameters: 8.7337; 15.3838; 11.5271; 90; 99.256; 90;  

COD ID: 1505179
CIF file Formula: - C8 H12 N5 O2 -
Comments: Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics 4(3) (2007) 323
Space group: P 1 21/c 1
Cell volume: 906.04
Cell parameters: 8.7804; 6.5989; 16.0041; 90; 102.292; 90;  

COD ID: 1505180
CIF file Formula: - C16 H26 N10 O5 -
Comments: Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics 4(3) (2007) 323
Space group: P -1
Cell volume: 966.87
Cell parameters: 8.3936; 10.2277; 11.8295; 78.839; 77.795; 81.075;  

COD ID: 1505181
CIF file Formula: - C17 H13 F3 N2 O6 -
Comments: Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics 4(3) (2007) 323
Space group: P 1 21/c 1
Cell volume: 1688.73
Cell parameters: 8.1434; 20.7559; 10.6511; 90; 110.276; 90;  

COD ID: 1505182
CIF file Formula: - C19 H18 N4 O5 -
Comments: Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; Borchardt, Thomas B.; MacGillivray, Leonard R.; Zhang, Geoff G. Z. Co-Crystals of Caffeine and Hydroxy-2-naphthoic Acids: Unusual Formation of the Carboxylic Acid Dimer in the Presence of a Heterosynthon Molecular Pharmaceutics 4(3) (2007) 339
Space group: P 1 21/n 1
Cell volume: 1739.5
Cell parameters: 7.6063; 14.042; 16.327; 90; 94.03; 90;  

COD ID: 1505183
CIF file Formula: - C19 H18 N4 O5 -
Comments: Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; Borchardt, Thomas B.; MacGillivray, Leonard R.; Zhang, Geoff G. Z. Co-Crystals of Caffeine and Hydroxy-2-naphthoic Acids: Unusual Formation of the Carboxylic Acid Dimer in the Presence of a Heterosynthon Molecular Pharmaceutics 4(3) (2007) 339
Space group: P 1 21/c 1
Cell volume: 1702
Cell parameters: 9.04; 24.42; 8.654; 90; 117.015; 90;  

COD ID: 1505184
CIF file Formula: - C19 H18 N4 O5 -
Comments: Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; Borchardt, Thomas B.; MacGillivray, Leonard R.; Zhang, Geoff G. Z. Co-Crystals of Caffeine and Hydroxy-2-naphthoic Acids: Unusual Formation of the Carboxylic Acid Dimer in the Presence of a Heterosynthon Molecular Pharmaceutics 4(3) (2007) 339
Space group: P -1
Cell volume: 870.3
Cell parameters: 8.029; 8.592; 13.996; 106.475; 98.162; 104.904;  

COD ID: 1505185
CIF file Formula: - C13 H18 N4 O10 -
Comments: Karki, Shyam; Friščić, Tomislav; Jones, William; Motherwell, W. D. Samuel Screening for Pharmaceutical Cocrystal Hydrates via Neat and Liquid-Assisted Grinding Molecular Pharmaceutics 4(3) (2007) 347
Space group: P 1 21/c 1
Cell volume: 1642.32
Cell parameters: 17.9217; 6.1766; 15.3751; 90; 105.212; 90;  

COD ID: 1505186
CIF file Formula: - C14 H18 N4 O9 -
Comments: Karki, Shyam; Friščić, Tomislav; Jones, William; Motherwell, W. D. Samuel Screening for Pharmaceutical Cocrystal Hydrates via Neat and Liquid-Assisted Grinding Molecular Pharmaceutics 4(3) (2007) 347
Space group: P -1
Cell volume: 814.72
Cell parameters: 7.3874; 8.3967; 13.5053; 91.333; 99.04; 99.588;  

COD ID: 1505187
CIF file Formula: - C2 H5 O5.5 -
Comments: Wenger, Mazal; Bernstein, Joel Cocrystal Design Gone Awry? A New Dimorphic Hydrate of Oxalic Acid Molecular Pharmaceutics 4(3) (2007) 355
Space group: P n m a
Cell volume: 956.6
Cell parameters: 11.231; 12.33; 6.9082; 90; 90; 90;  

COD ID: 1505188
CIF file Formula: - C4 H9 O11 -
Comments: Wenger, Mazal; Bernstein, Joel Cocrystal Design Gone Awry? A New Dimorphic Hydrate of Oxalic Acid Molecular Pharmaceutics 4(3) (2007) 355
Space group: P -1
Cell volume: 471
Cell parameters: 6.337; 7.247; 10.571; 94.345; 100.244; 97.674;  

COD ID: 1505189
CIF file Formula: - C26 H22 N4 O2 -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: P 1 21/c 1
Cell volume: 1098.1
Cell parameters: 13.223; 6.1971; 14.63; 90; 113.661; 90;  

COD ID: 1505190
CIF file Formula: - C19 H15 N3 O -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: C 1 2/c 1
Cell volume: 3139
Cell parameters: 18.715; 7.228; 23.208; 90; 90.478; 90;  

COD ID: 1505191
CIF file Formula: - C26 H20 N4 O2 -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: P 1 21/n 1
Cell volume: 2224.2
Cell parameters: 16.5421; 7.5056; 18.709; 90; 106.763; 90;  

COD ID: 1505192
CIF file Formula: - C24 H18 N4 O2 -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: P 1 21/c 1
Cell volume: 1039.4
Cell parameters: 20.866; 7.437; 6.7662; 90; 98.142; 90;  

COD ID: 1505193
CIF file Formula: - C18 H14 N2 O -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: P 1 21/c 1
Cell volume: 1508
Cell parameters: 9.906; 21.65; 7.59; 90; 112.14; 90;  

COD ID: 1505194
CIF file Formula: - C24 H18 N4 O2 -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: P 1 21/n 1
Cell volume: 4139
Cell parameters: 12.7871; 7.2838; 44.445; 90; 90.895; 90;  

COD ID: 1505195
CIF file Formula: - C18 H14 N2 O -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: C 1 2/c 1
Cell volume: 2987
Cell parameters: 26.217; 7.481; 19.41; 90; 128.31; 90;  

COD ID: 1505196
CIF file Formula: - C24 H18 N4 O2 -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: P -1
Cell volume: 476.5
Cell parameters: 3.8483; 8.755; 14.364; 96.647; 94.498; 95.474;  

COD ID: 1505197
CIF file Formula: - C26 H22 N4 O2 -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: P 1 21/c 1
Cell volume: 1095.9
Cell parameters: 11.195; 7.335; 13.53; 90; 99.465; 90;  

COD ID: 1505198
CIF file Formula: - C19 H15 N3 O -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: C 1 c 1
Cell volume: 3047.5
Cell parameters: 18.503; 7.5019; 21.971; 90; 92.181; 90;  

COD ID: 1505199
CIF file Formula: - C19 H15 N3 O -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: P -1
Cell volume: 1588.1
Cell parameters: 7.616; 10.003; 22.497; 87.342; 81.024; 69.737;  

COD ID: 1505200
CIF file Formula: - C26 H20 N4 O2 -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: P 1 21/c 1
Cell volume: 1101.9
Cell parameters: 14.66; 4.11; 18.29; 90; 90.74; 90;  

COD ID: 1505201
CIF file Formula: - C24 H18 N4 O2 -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: C 1 2/c 1
Cell volume: 2090
Cell parameters: 39.87; 7.586; 6.915; 90; 91.972; 90;  

COD ID: 1505202
CIF file Formula: - C24 H18 N6 O3 -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: P -1
Cell volume: 1125.9
Cell parameters: 7.889; 8.156; 19.673; 83.866; 85.627; 63.512;  

COD ID: 1505203
CIF file Formula: - C18 H14 N4 O2 -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: P -1
Cell volume: 836.9
Cell parameters: 9.171; 9.941; 10.265; 95.674; 94.987; 114.784;  

COD ID: 1505204
CIF file Formula: - C30 H24 F4 N4 O4 S -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: P -1
Cell volume: 1449.4
Cell parameters: 8.274; 10.172; 18.601; 87.521; 78.256; 71.067;  

COD ID: 1505205
CIF file Formula: - C12 H10 N4 O5 -
Comments: Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics 4(3) (2007) 417
Space group: P 1 21/n 1
Cell volume: 1225.72
Cell parameters: 10.385; 7.2222; 16.3763; 90; 93.686; 90;  

COD ID: 1505206
CIF file Formula: - C16 H18 N4 O5 -
Comments: Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics 4(3) (2007) 417
Space group: P -1
Cell volume: 811.64
Cell parameters: 8.4083; 9.8893; 10.6761; 73.201; 79.022; 74.182;  

COD ID: 1505207
CIF file Formula: - C6 H6 N3 O4 -
Comments: Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics 4(3) (2007) 417
Space group: P 1 21/n 1
Cell volume: 749.5
Cell parameters: 5.258; 6.478; 22.118; 90; 95.795; 90;  

COD ID: 1505208
CIF file Formula: - C24 H18 N4 O8 S2 -
Comments: Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics 4(3) (2007) 417
Space group: P 1 21/n 1
Cell volume: 1164.12
Cell parameters: 6.5207; 14.0377; 13.1232; 90; 104.28; 90;  

COD ID: 1505209
CIF file Formula: - C13 H17 N3 O4 -
Comments: Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics 4(3) (2007) 417
Space group: P 1 21/c 1
Cell volume: 1399.99
Cell parameters: 7.2276; 19.5811; 9.9928; 90; 98.136; 90;  

COD ID: 1505210
CIF file Formula: - C20 H26 N4 O5 -
Comments: Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics 4(3) (2007) 417
Space group: P 1 21/c 1
Cell volume: 4024
Cell parameters: 8.2106; 23.9166; 20.6318; 90; 96.67; 90;  

COD ID: 1505211
CIF file Formula: - C24 H22 N4 O6 -
Comments: Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics 4(3) (2007) 417
Space group: P -1
Cell volume: 541.2
Cell parameters: 5.692; 9.482; 10.751; 69.893; 84.232; 84.969;  

COD ID: 1505212
CIF file Formula: - C9 H11 N2 O4 -
Comments: Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics 4(3) (2007) 417
Space group: P -1
Cell volume: 494.7
Cell parameters: 6.409; 7.372; 11.064; 96.127; 97.22; 105.35;  

COD ID: 1505213
CIF file Formula: - C23 H18 N4 O3 -
Comments: Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics 4(3) (2007) 417
Space group: P -1
Cell volume: 977.8
Cell parameters: 7.284; 10.688; 14.132; 100.25; 102.463; 109.079;  

COD ID: 1505214
CIF file Formula: - C17 H14 N3 O2 -
Comments: Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics 4(3) (2007) 417
Space group: P 1 21/c 1
Cell volume: 1397.2
Cell parameters: 10.237; 27.247; 5.135; 90; 102.708; 90;  

COD ID: 1507424
CIF file Formula: - C34 H30 -
Comments: Anthony, John E.; Eaton, David L.; Parkin, Sean R. A Road Map to Stable, Soluble, Easily Crystallized Pentacene Derivatives Organic Letters 4(1) (2002) 15
Space group: C 1 2/c 1
Cell volume: 2579.7
Cell parameters: 25.074; 6.482; 19.246; 90; 124.441; 90;  

COD ID: 1507425
CIF file Formula: - C32 H30 Si2 -
Comments: Anthony, John E.; Eaton, David L.; Parkin, Sean R. A Road Map to Stable, Soluble, Easily Crystallized Pentacene Derivatives Organic Letters 4(1) (2002) 15
Space group: P -1
Cell volume: 651.5
Cell parameters: 5.833; 10.146; 11.642; 76.25; 76.93; 84.99;  

COD ID: 1507426
CIF file Formula: - C38 H42 Si2 -
Comments: Anthony, John E.; Eaton, David L.; Parkin, Sean R. A Road Map to Stable, Soluble, Easily Crystallized Pentacene Derivatives Organic Letters 4(1) (2002) 15
Space group: P -1
Cell volume: 1582.9
Cell parameters: 7.819; 13.569; 16.508; 70; 85.08; 74.12;  

COD ID: 1507427
CIF file Formula: - C38 H42 Si2 -
Comments: Anthony, John E.; Eaton, David L.; Parkin, Sean R. A Road Map to Stable, Soluble, Easily Crystallized Pentacene Derivatives Organic Letters 4(1) (2002) 15
Space group: C 1 2/c 1
Cell volume: 6378.1
Cell parameters: 30.511; 7.387; 32.106; 90; 118.186; 90;  

COD ID: 1507428
CIF file Formula: - C18 H9 F12 O5 P -
Comments: Hanes, Robert E.; Lynch, Vincent M.; Anslyn, Eric V.; Dalby, Kevin N. Toward a Stable Hydroxyphosphorane Organic Letters 4(2) (2002) 201
Space group: P 1 21/c 1
Cell volume: 2024.23
Cell parameters: 11.2604; 15.5456; 12.5778; 90; 113.165; 90;  

COD ID: 1507429
CIF file Formula: - C10 H12 Se4 -
Comments: Werz, Daniel B.; Staeb, Tobias H.; Benisch, Christoph; Rausch, Bernhard J.; Rominger, Frank; Gleiter, Rolf Self-Organization of Chalcogen-Containing Cyclic Alkynes and Alkenes To Yield Columnar Structures Organic Letters 4(3) (2002) 339
Space group: P 1 21/c 1
Cell volume: 635.3
Cell parameters: 4.5764; 13.449; 10.3777; 90; 95.939; 90;  

COD ID: 1507430
CIF file Formula: - C14 H20 Se4 -
Comments: Werz, Daniel B.; Staeb, Tobias H.; Benisch, Christoph; Rausch, Bernhard J.; Rominger, Frank; Gleiter, Rolf Self-Organization of Chalcogen-Containing Cyclic Alkynes and Alkenes To Yield Columnar Structures Organic Letters 4(3) (2002) 339
Space group: P 1 21/c 1
Cell volume: 829.93
Cell parameters: 4.637; 17.2194; 10.3998; 90; 91.907; 90;  

COD ID: 1507431
CIF file Formula: - C12 H20 S4 -
Comments: Werz, Daniel B.; Staeb, Tobias H.; Benisch, Christoph; Rausch, Bernhard J.; Rominger, Frank; Gleiter, Rolf Self-Organization of Chalcogen-Containing Cyclic Alkynes and Alkenes To Yield Columnar Structures Organic Letters 4(3) (2002) 339
Space group: P 1 21/c 1
Cell volume: 758.65
Cell parameters: 5.2225; 10.3139; 14.2995; 90; 99.951; 90;  

COD ID: 1507432
CIF file Formula: - C16 H28 S4 -
Comments: Werz, Daniel B.; Staeb, Tobias H.; Benisch, Christoph; Rausch, Bernhard J.; Rominger, Frank; Gleiter, Rolf Self-Organization of Chalcogen-Containing Cyclic Alkynes and Alkenes To Yield Columnar Structures Organic Letters 4(3) (2002) 339
Space group: P 1 21/c 1
Cell volume: 957.21
Cell parameters: 9.8648; 5.2409; 18.8504; 90; 100.833; 90;  

COD ID: 1507433
CIF file Formula: - C16 H14 N O3 S -
Comments: Lee, Dong Joon; Kim, Kyongtae; Park, Yung Ja Novel Synthesis of 5,6-Dihydro-4H-thieno[3,2-b]pyrrol-5-ones via the Rhodium(II)-Mediated Wolff Rearrangement of 3-(Thieno-2-yl)-3-oxo-2-diazopropanoates Organic Letters 4(6) (2002) 873
Space group: P -1
Cell volume: 715.7
Cell parameters: 8.187; 9.357; 10.88; 109.46; 100.41; 106.86;  

COD ID: 1507434
CIF file Formula: - C22 H27 N O4 -
Comments: Hirose, Tomoyasu; Sunazuka, Toshiaki; Shirahata, Tatsuya; Yamamoto, Daisuke; Harigaya, Yoshihiro; Kuwajima, Isao; Ōmura, Satoshi Short Total Synthesis of (+)-Madindolines A and B Organic Letters 4(4) (2002) 501
Space group: P 1 21 1
Cell volume: 1011.9
Cell parameters: 7.639; 9.002; 14.719; 90; 91.3; 90;  

COD ID: 1507435
CIF file Formula: - C50 H66 N4 O2 -
Comments: Wong, Ken-Tsung; Hung, Tsung Shi; Lin, Yuting; Wu, Chung-Chih; Lee, Gene-Hsiang; Peng, Shie-Ming; Chou, Chung Hsien; Su, Yuhlong Oliver Suzuki Coupling Approach for the Synthesis of Phenylene−Pyrimidine Alternating Oligomers for Blue Light-Emitting Material Organic Letters 4(4) (2002) 513
Space group: P -1
Cell volume: 1084.88
Cell parameters: 8.4503; 8.5384; 15.8256; 93.928; 94.197; 106.882;  

COD ID: 1507436
CIF file Formula: - C21 H22 O2 -
Comments: Clayden, Jonathan; Kenworthy, Martin N. Dearomatizing Annelation of Five-Membered Rings to Naphthalenes by Organolithium Cyclization Organic Letters 4(5) (2002) 787
Space group: P 1 21/a 1
Cell volume: 1667
Cell parameters: 10.83; 10.22; 15.06; 90; 90.32; 90;  

COD ID: 1507437
CIF file Formula: - C45 H72 I N O7 Si2 -
Comments: Hale, Karl J.; Dimopoulos, Paschalis; Cheung, Maxine L. F.; Frigerio, Mark; Steed, Jonathan W.; Levett, Philip C. A Biosynthetic Proposal for Ring Formation in the Antitumor Agent Halichomycin. Asymmetric Synthesis of the AB-Carbon Backbone of Halichomycin Organic Letters 4(6) (2002) 897-900
Space group: P 1 21 1
Cell volume: 2396.37
Cell parameters: 14.6699; 7.7774; 21.9785; 90; 107.13; 90;  

COD ID: 1507438
CIF file Formula: - C19 H26 O5 -
Comments: Hong, Bor-Cherng; Shr, Yeong-Jou; Liao, Ju-Hsiou Unprecedented Microwave Effects on the Cycloaddition of Fulvenes. A New Approach to the Construction of Polycyclic Ring Systems Organic Letters 4(4) (2002) 663
Space group: C 1 2/c 1
Cell volume: 3632
Cell parameters: 32.068; 6.4068; 17.829; 90; 97.466; 90;  

COD ID: 1507439
CIF file Formula: - C20 H23 N O2 -
Comments: Hong, Bor-Cherng; Shr, Yeong-Jou; Liao, Ju-Hsiou Unprecedented Microwave Effects on the Cycloaddition of Fulvenes. A New Approach to the Construction of Polycyclic Ring Systems Organic Letters 4(4) (2002) 663
Space group: P -1
Cell volume: 846.6
Cell parameters: 7.905; 8.227; 13.861; 99.55; 105.59; 95.6;  

COD ID: 1507440
CIF file Formula: - C14 H14 O2 -
Comments: Hong, Bor-Cherng; Shr, Yeong-Jou; Liao, Ju-Hsiou Unprecedented Microwave Effects on the Cycloaddition of Fulvenes. A New Approach to the Construction of Polycyclic Ring Systems Organic Letters 4(4) (2002) 663
Space group: P 1 21/n 1
Cell volume: 1129.5
Cell parameters: 8.693; 7.304; 18.231; 90; 102.64; 90;  

COD ID: 1507441
CIF file Formula: - C24 H21 N2 O3 P S -
Comments: Moss, Robert A.; Gong, Paul K.; Morales-Rojas, Hugo Stereochemical Study of Phosphonothioate Cleavage by a Metallomicelle Organic Letters 4(11) (2002) 1835
Space group: P 1 c 1
Cell volume: 1120.8
Cell parameters: 9.76; 9.994; 12.081; 90; 107.99; 90;  

COD ID: 1507442
CIF file Formula: - C14 H14 N2 O2 S4 -
Comments: Morita, Yasushi; Maki, Suguru; Ohmoto, Makoto; Kitagawa, Hiroshi; Okubo, Takashi; Mitani, Tadaoki; Nakasuji, Kazuhiro Hydrogen-Bonded Charge-Transfer Complexes of TTF Containing a Uracil Moiety: Crystal Structures and Electronic Properties of the Hydrogen Cyananilate and TCNQ Complexes Organic Letters 4(13) (2002) 2185
Space group: P 1 21/c 1
Cell volume: 1686.95
Cell parameters: 10.9333; 15.1525; 11.1724; 90; 114.297; 90;  

COD ID: 1507443
CIF file Formula: - C24 H18 N5 O6 S4 -
Comments: Morita, Yasushi; Maki, Suguru; Ohmoto, Makoto; Kitagawa, Hiroshi; Okubo, Takashi; Mitani, Tadaoki; Nakasuji, Kazuhiro Hydrogen-Bonded Charge-Transfer Complexes of TTF Containing a Uracil Moiety: Crystal Structures and Electronic Properties of the Hydrogen Cyananilate and TCNQ Complexes Organic Letters 4(13) (2002) 2185
Space group: P -1
Cell volume: 1318.39
Cell parameters: 11.1052; 13.194; 9.958; 106.198; 91.656; 108.415;  

COD ID: 1507444
CIF file Formula: - C28 H44 N0 O5 -
Comments: Betancor, Carmen; Freire, Raimundo; Pérez-Martín, Inés; Prangé, Thierry; Suárez, Ernesto A Convenient Synthesis of C-22 and C-25 Stereoisomers of Cephalostatin North 1 Side Chain from Spirostan Sapogenins Organic Letters 4(8) (2002) 1295
Space group: P 1 21 1
Cell volume: 1299.3
Cell parameters: 17.185; 7.408; 10.45; 90; 102.4; 90;  

COD ID: 1507445
CIF file Formula: - C28 H30 N0 O5 -
Comments: Betancor, Carmen; Freire, Raimundo; Pérez-Martín, Inés; Prangé, Thierry; Suárez, Ernesto A Convenient Synthesis of C-22 and C-25 Stereoisomers of Cephalostatin North 1 Side Chain from Spirostan Sapogenins Organic Letters 4(8) (2002) 1295
Space group: P 1 21 1
Cell volume: 1251.4
Cell parameters: 12.57; 5.901; 16.872; 90; 90.64; 90;  

COD ID: 1507446
CIF file Formula: - C20 H27 I O5 -
Comments: Usuda, Hiroyuki; Kanai, Motomu; Shibasaki, Masakatsu Studies toward the Total Synthesis of Garsubellin A: A Concise Synthesis of the 18-epi-Tricyclic Core Organic Letters 4(5) (2002) 859
Space group: P -1
Cell volume: 4188.5
Cell parameters: 16.2206; 22.134; 11.6664; 90; 90; 90;  

COD ID: 1507447
CIF file Formula: - C100 H112 N8 O8 -
Comments: Spencer, Douglas J. E.; Johnson, Bryan J.; Johnson, Brian J.; Tolman, William B. Calix[4]arenes Linked to Multiple Bidentate N-Donors: Potential Ligands for Synthetic Modeling of Multinuclear Metalloenzymes Organic Letters 4(8) (2002) 1391
Space group: C 1 2/c 1
Cell volume: 8722
Cell parameters: 31.382; 14.509; 19.533; 90; 101.269; 90;  

COD ID: 1507448
CIF file Formula: - C80 H64 N4 O22 -
Comments: Shivanyuk, Alexander; Far, Adel Rafai; Rebek, Julius Rigid Tetranitroresorcinarenes Organic Letters 4(9) (2002) 1555
Space group: P 1 21/n 1
Cell volume: 7445
Cell parameters: 22.191; 15.293; 22.856; 90; 106.303; 90;  

COD ID: 1507449
CIF file Formula: - C16 H14 N2 O3 S -
Comments: Siu, Tung; Yudin, Andrei K. Electrochemical Imination of Sulfoxides Using N-Aminophthalimide Organic Letters 4(11) (2002) 1839
Space group: P 21 21 21
Cell volume: 3039.68
Cell parameters: 7.9615; 9.9599; 38.3334; 90; 90; 90;  

COD ID: 1507450
CIF file Formula: - C21 H27 F3 N2 O5 -
Comments: Okano, Takashi; Fumoto, Masataka; Kusukawa, Takahiro; Fujita, Makoto Synthesis of Optically Active Trifluoromethylated Indolizidine Derivatives via Stereoselective Radical Cyclization Organic Letters 4(9) (2002) 1571
Space group: P 41
Cell volume: 2344
Cell parameters: 12.229; 12.229; 15.675; 90; 90; 90;  

COD ID: 1507451
CIF file Formula: - C12 H18 F3 N O -
Comments: Okano, Takashi; Fumoto, Masataka; Kusukawa, Takahiro; Fujita, Makoto Synthesis of Optically Active Trifluoromethylated Indolizidine Derivatives via Stereoselective Radical Cyclization Organic Letters 4(9) (2002) 1571
Space group: P 21 21 21
Cell volume: 1263.6
Cell parameters: 5.9581; 13.713; 15.466; 90; 90; 90;  

COD ID: 1507452
CIF file Formula: - C13 H17 Br O2 -
Comments: Van Cauwenberge, Gunther; Gao, Ling-Jie; Van Haver, Dirk; Milanesio, Marco; Viterbo, Davide; De Clercq, Pierre J. A Novel Short Convergent Entry into Himbacine Derivatives Organic Letters 4(9) (2002) 1579
Space group: P 1 21 1
Cell volume: 644.4
Cell parameters: 8.958; 6.548; 11.546; 90; 107.92; 90;  

COD ID: 1507453
CIF file Formula: - C30 H32 N O2 P -
Comments: Dai, Wei-Min; Yeung, Kelly Ka Yim; Liu, Jin-Teng; Zhang, Ye; Williams, Ian D. A Novel Class of Nonbiaryl Atropisomeric P,O-Ligands for Palladium-Catalyzed Asymmetric Allylic Alkylation† Organic Letters 4(9) (2002) 1615
Space group: P 1 21 1
Cell volume: 1314
Cell parameters: 7.5807; 15.193; 11.4579; 90; 95.296; 90;  

COD ID: 1507454
CIF file Formula: - C29 H30 N O2 P -
Comments: Dai, Wei-Min; Yeung, Kelly Ka Yim; Liu, Jin-Teng; Zhang, Ye; Williams, Ian D. A Novel Class of Nonbiaryl Atropisomeric P,O-Ligands for Palladium-Catalyzed Asymmetric Allylic Alkylation† Organic Letters 4(9) (2002) 1615
Space group: P 1 21 1
Cell volume: 2510.8
Cell parameters: 14.0092; 11.9178; 16.5822; 90; 114.921; 90;  

COD ID: 1507455
CIF file Formula: - C22 H38 O7 -
Comments: Salomon, Christine E.; Williams, David H.; Lobkovsky, Emil; Clardy, Jon C.; Faulkner, D. John Relative and Absolute Stereochemistry of the Didemnaketals, Metabolites of a Palauan Ascidian,Didemnumsp. Organic Letters 4(10) (2002) 1699
Space group: P 21 21 21
Cell volume: 2431
Cell parameters: 9.322; 9.454; 27.584; 90; 90; 90;  

COD ID: 1507456
CIF file Formula: - C28 H41 N O Si4 -
Comments: El-Sayed, Ibrahim; Guliashvili, Tamaz; Hazell, Rita; Gogoll, Adolf; Ottosson, Henrik Evidence for Formation of Silenes Strongly Influenced by Reversed SiC Bond Polarity Organic Letters 4(11) (2002) 1915
Space group: P -1
Cell volume: 3123.4
Cell parameters: 11.1473; 12.954; 22.317; 97.649; 99.83; 95.559;  

COD ID: 1507457
CIF file Formula: - C24 H12 -
Comments: Dosa, Peter I.; Whitener, Glenn D.; Vollhardt, K. Peter C.; Bond, Andrew D.; Teat, Simon J. Cobalt-Mediated Synthesis of Angular [4]Phenylene: Structural Characterization of a Metallacyclopentadiene(Alkyne) Intermediate and Its Thermal and Photochemical Conversion Organic Letters 4(12) (2002) 2075
Space group: P 1 21/c 1
Cell volume: 1480.9
Cell parameters: 15.468; 3.8318; 25.454; 90; 101.002; 90;  

COD ID: 1507458
CIF file Formula: - C37.5 H31 Co -
Comments: Dosa, Peter I.; Whitener, Glenn D.; Vollhardt, K. Peter C.; Bond, Andrew D.; Teat, Simon J. Cobalt-Mediated Synthesis of Angular [4]Phenylene: Structural Characterization of a Metallacyclopentadiene(Alkyne) Intermediate and Its Thermal and Photochemical Conversion Organic Letters 4(12) (2002) 2075
Space group: P -1
Cell volume: 1318.7
Cell parameters: 7.0791; 13.176; 15.734; 111.494; 95.57; 100.867;  

COD ID: 1507459
CIF file Formula: - C36 H31 Co O0.5 -
Comments: Dosa, Peter I.; Whitener, Glenn D.; Vollhardt, K. Peter C.; Bond, Andrew D.; Teat, Simon J. Cobalt-Mediated Synthesis of Angular [4]Phenylene: Structural Characterization of a Metallacyclopentadiene(Alkyne) Intermediate and Its Thermal and Photochemical Conversion Organic Letters 4(12) (2002) 2075
Space group: C 1 2/c 1
Cell volume: 5238.5
Cell parameters: 14.4895; 9.0045; 40.411; 90; 96.501; 90;  

COD ID: 1507460
CIF file Formula: - C27 H40 Br N3 O6 -
Comments: Gralla, Gabriele; Wibbeling, Birgit; Hoppe, Dieter Synthesis of an Ethynyl Carbamate and Application for Enantioselective Cyclocarbolithiation Organic Letters 4(13) (2002) 2193
Space group: P 21 21 21
Cell volume: 2953
Cell parameters: 11.468; 12.686; 20.298; 90; 90; 90;  

COD ID: 1507461
CIF file Formula: - C19 H18 Cl3 N O2 -
Comments: Mita, Tsuyoshi; Ohtsuki, Natsuki; Ikeno, Taketo; Yamada, Tohru Enantioselective 1,3-Dipolar Cycloaddition of Nitrones Catalyzed by Optically Active Cationic Cobalt(III) Complexes Organic Letters 4(15) (2002) 2457
Space group: P 21 21 21
Cell volume: 1807
Cell parameters: 12.36; 13.93; 10.496; 90; 90; 90;  

COD ID: 1507462
CIF file Formula: - C25 H30 Cl4 Ir N O -
Comments: Suzuki, Takeyuki; Morita, Kenji; Tsuchida, Mika; Hiroi, Kunio Mild and Chemoselective Synthesis of Lactones from Diols Using a Novel Metal−Ligand Bifunctional Catalyst Organic Letters 4(14) (2002) 2361
Space group: P 1 21/c 1
Cell volume: 2541.2
Cell parameters: 13.2705; 12.1408; 15.91; 90; 97.531; 90;  

COD ID: 1507463
CIF file Formula: - C11 H9 N O2 -
Comments: Hong, Bor-Cherng; Shr, Yeong-Jou; Wu, Jian-Lin; Gupta, Arun Kumar; Lin, Kuan-Jiuh Novel [6 + 2] Cycloaddition of Fulvenes with Alkenes: A Facile Synthesis of the Anislactone and Hirsutane Framework Organic Letters 4(13) (2002) 2249
Space group: P 1 21/c 1
Cell volume: 923.54
Cell parameters: 13.6525; 8.1225; 8.4007; 90; 97.529; 90;  

COD ID: 1507464
CIF file Formula: - C30 H22 -
Comments: Brizius, Glen; Bunz, Uwe H. F. Increased Activity of in Situ Catalysts for Alkyne Metathesis Organic Letters 4(17) (2002) 2829
Space group: P 1 21/n 1
Cell volume: 1055.21
Cell parameters: 10.9686; 5.7792; 16.9883; 90; 101.516; 90;  

COD ID: 1507465
CIF file Formula: - C29 H38 -
Comments: Iikubo, Takashi; Hirai, Katsuyuki; Tomioka, Hideo Generation, Direct Observation, and Kinetics of Triplet 9-(1,1,4,4,5,5,8,8- Octamethyl-1,2,3,4,5,6,7,8-octahydro- anthryl)phenylcarbene Organic Letters 4(13) (2002) 2261
Space group: P -1
Cell volume: 2266.7
Cell parameters: 11.355; 11.344; 18.115; 89.578; 78.647; 82.3;  

COD ID: 1507466
CIF file Formula: - C29 H38 N2 -
Comments: Iikubo, Takashi; Hirai, Katsuyuki; Tomioka, Hideo Generation, Direct Observation, and Kinetics of Triplet 9-(1,1,4,4,5,5,8,8- Octamethyl-1,2,3,4,5,6,7,8-octahydro- anthryl)phenylcarbene Organic Letters 4(13) (2002) 2261
Space group: P 1 21/c 1
Cell volume: 2390.5
Cell parameters: 12.237; 9.6067; 20.3737; 90; 93.534; 90;  

COD ID: 1507467
CIF file Formula: - C26 H40 O2 -
Comments: Loh, Teck-Peng; Hu, Qi-Ying; Ma, Li-Ting Stereocontrolled Synthesis of Linear 22R-Homoallylic Sterols via a Triflic Acid-Catalyzed 2-Oxonia Cope Rearrangement Organic Letters 4(14) (2002) 2389
Space group: P 21 21 21
Cell volume: 2252.25
Cell parameters: 7.1993; 10.0365; 31.1705; 90; 90; 90;  

COD ID: 1507468
CIF file Formula: - C64 H89 Cl6 N5 O8 -
Comments: Falábu, Dezsö; Shivanyuk, Alexander; Nissinen, Maija; Rissanen, Kari Complexation of Small Molecules by Open-Ended Resorcarene Hosts Organic Letters 4(18) (2002) 3019
Space group: C 2 2 21
Cell volume: 6585
Cell parameters: 12.621; 22.358; 23.335; 90; 90; 90;  

COD ID: 1507469
CIF file Formula: - C20 H22 Co2 O11 Si -
Comments: Skaggs, Aaron J.; Lin, Eleanor Y.; Jamison, Timothy F. Cobalt Cluster-Containing Carbonyl Ylides for Catalytic, Three-Component Assembly of Oxygen Heterocycles Organic Letters 4(13) (2002) 2277
Space group: P 1 21/c 1
Cell volume: 2659
Cell parameters: 11.678; 9.253; 24.678; 90; 94.235; 90;  

COD ID: 1507470
CIF file Formula: - C52 H48 O6 -
Comments: Barhate, Nivrutti B.; Chen, Chien-Tien Catalytic Asymmetric Oxidative Couplings of 2-Naphthols by TridentateN-Ketopinidene-Based Vanadyl Dicarboxylates Organic Letters 4(15) (2002) 2529
Space group: P -1
Cell volume: 2102.1
Cell parameters: 10.665; 11.095; 19.934; 83.635; 78.07; 65.68;  

COD ID: 1507471
CIF file Formula: - C20 H32 F N O2 S Si -
Comments: Lan, Yunfeng; Hammond, Gerald B. Functionalization of Monofluoroallene and the Synthesis of Aryl-Substituted Conjugated Fluorodienes Organic Letters 4(14) (2002) 2437
Space group: P 1 21/c 1
Cell volume: 2346.56
Cell parameters: 8.43; 28.3483; 10.035; 90; 101.904; 90;  

COD ID: 1507472
CIF file Formula: - C18 H24 N4 O -
Comments: Kelly, T. Ross; Cavero, Marta Selective Monoacylation of a Diamine Using Intramolecular Delivery by a DMAP Unit Organic Letters 4(16) (2002) 2653
Space group: C 1 2/c 1
Cell volume: 3456.1
Cell parameters: 32.285; 6.4839; 18.619; 90; 117.533; 90;  

COD ID: 1507473
CIF file Formula: - C15 H14 O2 -
Comments: Capriati, Vito; Florio, Saverio; Luisi, Renzo; Salomone, Antonio Oxiranyl Anion-Mediated Synthesis of Highly Enantiomerically Enriched Styrene Oxide Derivatives Organic Letters 4(14) (2002) 2445
Space group: P 1 21 1
Cell volume: 607.83
Cell parameters: 8.609; 5.81; 12.628; 90; 105.779; 90;  

COD ID: 1507474
CIF file Formula: - C134 H28 Cl12 O6 P2 -
Comments: Cheng, Fuyong; Murata, Yasujiro; Komatsu, Koichi Synthesis, X-ray Structure, and Properties of the Singly Bonded C60Dimer Having Diethoxyphosphorylmethyl Groups Utilizing the Chemistry of C602- Organic Letters 4(15) (2002) 2541
Space group: P 1 21/c 1
Cell volume: 8623
Cell parameters: 19.81; 15.45; 28.723; 90; 101.23; 90;  

COD ID: 1507475
CIF file Formula: - C58 H42 N2 O4 -
Comments: Shimada, Toyoshi; Kina, Asato; Ikeda, Syushiro; Hayashi, Tamio A Novel Axially Chiral 2,2‘-BipyridineN,N‘-Dioxide. Its Preparation and Use for Asymmetric Allylation of Aldehydes with Allyl(trichloro)silane as a Highly Efficient Catalyst Organic Letters 4(16) (2002) 2799
Space group: P 21 21 21
Cell volume: 4343.41
Cell parameters: 8.9674; 20.8342; 23.2481; 90; 90; 90;  

COD ID: 1507476
CIF file Formula: - C18 H20 Cl N O3 S -
Comments: Yamada, Ken-ichi; Fujihara, Hidetaka; Yamamoto, Yasutomo; Miwa, Yoshihisa; Taga, Tooru; Tomioka, Kiyoshi Radical Addition of Ethers to Imines Initiated by Dimethylzinc Organic Letters 4(20) (2002) 3509
Space group: P -1
Cell volume: 897.7
Cell parameters: 10.218; 11.247; 8.086; 98.16; 101.84; 84.16;  

COD ID: 1507477
CIF file Formula: - C24 H16 O3 -
Comments: Liu, Jin; Brooks, Neil R. Stereoselective Stobbe Condensation of Ethyl Methyl Diphenylmethylenesuccinate with Aromatic Aldehydes Organic Letters 4(20) (2002) 3521
Space group: P 1 21/c 1
Cell volume: 1748.8
Cell parameters: 8.1438; 11.5962; 18.591; 90; 95.066; 90;  

COD ID: 1507478
CIF file Formula: - C15 H21 N O3 S -
Comments: Williams, Jodi T.; Bahia, Perdip Singh; Snaith, John S. Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: A Switch in Diastereoselectivity between Lewis and Brønsted Acid Catalysts Organic Letters 4(21) (2002) 3727
Space group: P 1 21/c 1
Cell volume: 1539.2
Cell parameters: 12.314; 5.395; 23.491; 90; 99.5; 90;  

COD ID: 1507479
CIF file Formula: - C20 H27 N O6 -
Comments: Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies Organic Letters 4(25) (2002) 4387
Space group: P 1 21 1
Cell volume: 2110.8
Cell parameters: 17.1716; 6.2714; 19.602; 90; 90.762; 90;  

COD ID: 1507480
CIF file Formula: - C23 H32 N2 O7 -
Comments: Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies Organic Letters 4(25) (2002) 4387
Space group: P 21 21 21
Cell volume: 2336.1
Cell parameters: 6.7036; 15.5557; 22.4024; 90; 90; 90;  

COD ID: 1507481
CIF file Formula: - C22 H28 N2 O6 -
Comments: Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies Organic Letters 4(25) (2002) 4387
Space group: P 21 21 21
Cell volume: 2157.08
Cell parameters: 6.7479; 13.9428; 22.927; 90; 90; 90;  

COD ID: 1507482
CIF file Formula: - C20 H24 Br N O5 -
Comments: Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies Organic Letters 4(25) (2002) 4387
Space group: P 1 21 1
Cell volume: 979.1
Cell parameters: 8.1266; 6.78; 17.9128; 90; 97.228; 90;  

COD ID: 1507483
CIF file Formula: - C20 H24 Br N O5 -
Comments: Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies Organic Letters 4(25) (2002) 4387
Space group: P 21 21 21
Cell volume: 1982.3
Cell parameters: 6.723; 9.4873; 31.0788; 90; 90; 90;  

COD ID: 1507484
CIF file Formula: - C61 H45 S2 -
Comments: Wong, Ken-Tsung; Wang, Chung-Feng; Chou, Chung Hsien; Su, Yuhlong Oliver; Lee, Gene-Hsiang; Peng, Shie-Ming Synthesis and properties of novel thiophene-based conjugated homologues: 9,9-diphenylfluorene-capped oligothiophenes. Organic letters 4(25) (2002) 4439-4442
Space group: P -1
Cell volume: 2273.7
Cell parameters: 11.2629; 14.534; 15.0164; 108.378; 92.145; 101.385;  

COD ID: 1507485
CIF file Formula: - C19 H27 N O4 S -
Comments: Lu, Cheng; Lu, Xiyan Tandem reactions to construct heterocycles via phosphine-catalyzed umpolung addition and intramolecular conjugate addition. Organic letters 4(26) (2002) 4677-4679
Space group: C 1 2/c 1
Cell volume: 3906.8
Cell parameters: 17.4458; 14.1729; 16.0903; 90; 100.892; 90;  

COD ID: 1507486
CIF file Formula: - C30 H30 O4 S6 -
Comments: Kozaki, M.; Yonezawa, Y.; Okada, K. Cyclopentadithiophene (CPDT) dimer dication: bipolaron model for quaterthiophenes. Organic letters 4(25) (2002) 4535-4538
Space group: C 1 2/c 1
Cell volume: 2938.6
Cell parameters: 23.493; 5.3111; 26.185; 90; 115.918; 90;  

COD ID: 1507487
CIF file Formula: - C44 H36 Cl10 Fe2 N4 O S6 -
Comments: Kozaki, M.; Yonezawa, Y.; Okada, K. Cyclopentadithiophene (CPDT) dimer dication: bipolaron model for quaterthiophenes. Organic letters 4(25) (2002) 4535-4538
Space group: P 1
Cell volume: 2916
Cell parameters: 13.844; 13.846; 18.7; 71.71; 71.68; 60.87;  

COD ID: 1507488
CIF file Formula: - C19 H16 N2 -
Comments: Nadipuram, Asha K.; David, Wendi M.; Kumar, Dalip; Kerwin, Sean M. Synthesis and thermolysis of heterocyclic 3-aza-3-ene-1,5-diynes(1). Organic letters 4(25) (2002) 4543-4546
Space group: P -1
Cell volume: 1394.56
Cell parameters: 9.636; 10.1513; 14.2933; 92.812; 91.68; 92.388;  

COD ID: 1507489
CIF file Formula: - C30 H35 N O12 -
Comments: Yang, Zhixiang; Shannon, Dean; Truong, Vouy-Linh; Deslongchamps, Pierre Studies directed toward asymmetric synthesis of cardioactive steroids via anionic polycyclization. Organic letters 4(26) (2002) 4693-4696
Space group: C 1 2 1
Cell volume: 2855.1
Cell parameters: 28.625; 6.7023; 17.446; 90; 121.459; 90;  

COD ID: 1507490
CIF file Formula: - C48 H38 Cu N3 O3 P2 -
Comments: Bates, Craig G.; Saejueng, Pranorm; Murphy, Jaclyn M.; Venkataraman, D. Synthesis of 2-arylbenzo[b]furans via copper(I)-catalyzed coupling of o-iodophenols and aryl acetylenes. Organic letters 4(26) (2002) 4727-4729
Space group: P 1 21 1
Cell volume: 2046.25
Cell parameters: 10.0266; 19.7098; 10.6355; 90; 103.203; 90;  

COD ID: 1507494
CIF file Formula: - C48 H60 O14 S4 -
Comments: Xu, Jianwei; Lai, Yee-Hing; He, Chaobin A Unique Spherical Molecular Host withD2dSymmetry. A Novel Intramolecular Kinetic Equilibrium in Metal Ion Complexation between Two Crown Ethers Organic Letters 4(22) (2002) 3911
Space group: C 1 2/c 1
Cell volume: 4810.36
Cell parameters: 13.0945; 19.8439; 18.6198; 90; 96.158; 90;  

COD ID: 1507495
CIF file Formula: - C37 H42 -
Comments: Nishinaga, Tohru; Inoue, Ryota; Matsuura, Akira; Komatsu, Koichi Radical Cation and Dication of Fluorene Fully Annelated with Bicyclo[2.2.2]octene Units: Importance of the Quinoidal Resonance Structure in the Cationic Fluorene Organic Letters 4(23) (2002) 4117
Space group: P -1
Cell volume: 2602.4
Cell parameters: 10.3419; 22.206; 12.4509; 90.042; 114.478; 89.959;  

COD ID: 1507496
CIF file Formula: - C39 H46 Cl10 Sb -
Comments: Nishinaga, Tohru; Inoue, Ryota; Matsuura, Akira; Komatsu, Koichi Radical Cation and Dication of Fluorene Fully Annelated with Bicyclo[2.2.2]octene Units: Importance of the Quinoidal Resonance Structure in the Cationic Fluorene Organic Letters 4(23) (2002) 4117
Space group: P 21 21 21
Cell volume: 4218.7
Cell parameters: 10.5029; 19.6289; 20.4634; 90; 90; 90;  

COD ID: 1507497
CIF file Formula: - C9 H6 Cl Cr N O6 -
Comments: Barluenga, José; Aznar, Fernando; Gutiérrez, Ignacio; García-Granda, Santiago; Llorca-Baragaño, M Amparo First intermolecular cyclopropanation of Fischer dialkylaminocarbene complexes. Synthesis of 1-aminocyclopropanecarboxylic acid derivatives. Organic letters 4(24) (2002) 4273-4276
Space group: P 1 21/n 1
Cell volume: 1231
Cell parameters: 9.289; 11.89; 12.035; 90; 112.12; 90;  

COD ID: 1507498
CIF file Formula: - C34 H28 I2 O3 -
Comments: Höger, Sigurd; Rosselli, Silvia; Ramminger, Anne-Désirée; Enkelmann, Volker A facile synthesis of large extraannular-functionalized phenyl-ethynyl macrocycles containing m-terphenyl units. Organic letters 4(24) (2002) 4269-4272
Space group: P 1 21/a 1
Cell volume: 3046
Cell parameters: 18.581; 7.4811; 22.069; 90; 96.821; 90;  

COD ID: 1508163
CIF file Formula: - C168 H176 Cl F49 Fe5 N32 O18.5 P8 -
Comments: Ayme, Jean-François; Beves, Jonathon E.; Leigh, David A.; McBurney, Roy T.; Rissanen, Kari; Schultz, David A synthetic molecular pentafoil knot. Nature chemistry 4(1) (2012) 15-20
Space group: P 1 21/c 1
Cell volume: 23900
Cell parameters: 23.444; 36.333; 29.094; 90; 105.335; 90;  

COD ID: 1508164
CIF file Formula: - C20 H30 O -
Comments: Mendoza, Abraham; Ishihara, Yoshihiro; Baran, Phil S. Scalable enantioselective total synthesis of taxanes. Nature chemistry 4(1) (2012) 21-25
Space group: P 21 21 21
Cell volume: 1674.21
Cell parameters: 9.8261; 11.6102; 14.6754; 90; 90; 90;  

COD ID: 1508165
CIF file Formula: - C19 H28 O2 -
Comments: Mendoza, Abraham; Ishihara, Yoshihiro; Baran, Phil S. Scalable enantioselective total synthesis of taxanes. Nature chemistry 4(1) (2012) 21-25
Space group: P 1 21 1
Cell volume: 774.76
Cell parameters: 7.7453; 10.3009; 9.7366; 90; 94.175; 90;  

COD ID: 1508166
CIF file Formula: - C120 H76 B2 F48 O4 Pd4 -
Comments: Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks. Nature chemistry 4(1) (2012) 52-58
Space group: C 1 2/c 1
Cell volume: 11460.5
Cell parameters: 28.2551; 19.2999; 21.1845; 90; 97.2296; 90;  

COD ID: 1508167
CIF file Formula: - C60 H60 Cl8 F24 O4 P4 Pd4 -
Comments: Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks. Nature chemistry 4(1) (2012) 52-58
Space group: C 1 2/c 1
Cell volume: 7095.4
Cell parameters: 15.3692; 24.9813; 18.5227; 90; 93.871; 90;  

COD ID: 1508168
CIF file Formula: - C63 H61 B4 F16 N3 O6 Pd4 -
Comments: Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks. Nature chemistry 4(1) (2012) 52-58
Space group: C 1 2/c 1
Cell volume: 6315.2
Cell parameters: 26.6501; 11.2467; 21.7172; 90; 104.023; 90;  

COD ID: 1508169
CIF file Formula: - C62 H58 B2 F8 N2 O4 Pd4 -
Comments: Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks. Nature chemistry 4(1) (2012) 52-58
Space group: P 1 21/c 1
Cell volume: 5690.5
Cell parameters: 7.8918; 24.8188; 29.1008; 90; 93.2773; 90;  

COD ID: 1508170
CIF file Formula: - C112.5 H116 Cl4 N14 O25.5 Zn2 -
Comments: Howson, Suzanne E.; Bolhuis, Albert; Brabec, Viktor; Clarkson, Guy J.; Malina, Jaroslav; Rodger, Alison; Scott, Peter Optically pure, water-stable metallo-helical 'flexicate' assemblies with antibiotic activity. Nature chemistry 4(1) (2012) 31-36
Space group: P 31 1 2
Cell volume: 8907
Cell parameters: 12.4175; 12.4175; 66.702; 90; 90; 120;  

COD ID: 1508171
CIF file Formula: - C22 H26 F3 N O3 -
Comments: Montavon, Timothy J.; Li, Jing; Cabrera-Pardo, Jaime R; Mrksich, Milan; Kozmin, Sergey A. Three-component reaction discovery enabled by mass spectrometry of self-assembled monolayers. Nature chemistry 4(1) (2012) 45-51
Space group: P -1
Cell volume: 1070.9
Cell parameters: 10.305; 11.201; 11.779; 63.547; 65.449; 66.927;  

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

COD ID: 1508173
CIF file Formula: - C144 H110 Cl2 O6 -
Comments: Kissel, Patrick; Erni, Rolf; Schweizer, W. Bernd; Rossell, Marta D.; King, Benjamin T.; Bauer, Thomas; Götzinger, Stephan; Schlüter, A Dieter; Sakamoto, Junji A two-dimensional polymer prepared by organic synthesis. Nature chemistry 4(4) (2012) 287-291
Space group: P -1
Cell volume: 5406.5
Cell parameters: 12.5392; 21.844; 22.5292; 61.234; 88.2978; 89.8086;  

COD ID: 1508174
CIF file Formula: - C33 H35 F3 N2 O2 -
Comments: Moerdyk, Jonathan P.; Bielawski, Christopher W. Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents. Nature chemistry 4(4) (2012) 275-280
Space group: P 1 21 1
Cell volume: 1390.7
Cell parameters: 7.995; 12.695; 14.1; 90; 103.65; 90;  

COD ID: 1508175
CIF file Formula: - C32 H40 N2 O6 -
Comments: Moerdyk, Jonathan P.; Bielawski, Christopher W. Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents. Nature chemistry 4(4) (2012) 275-280
Space group: P 1 21/c 1
Cell volume: 2920.1
Cell parameters: 16.103; 10.495; 17.623; 90; 101.349; 90;  

COD ID: 1508176
CIF file Formula: - C38 H40 N2 O2 -
Comments: Moerdyk, Jonathan P.; Bielawski, Christopher W. Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents. Nature chemistry 4(4) (2012) 275-280
Space group: P 1 21/n 1
Cell volume: 6294.11
Cell parameters: 10.823; 16.686; 34.964; 90; 94.576; 90;  

COD ID: 1508177
CIF file Formula: - C28 H30 N4 O2 -
Comments: Moerdyk, Jonathan P.; Bielawski, Christopher W. Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents. Nature chemistry 4(4) (2012) 275-280
Space group: P 1 21/n 1
Cell volume: 2527.52
Cell parameters: 15.343; 10.755; 15.6115; 90; 101.147; 90;  

COD ID: 1508178
CIF file Formula: - C31 H38 N2 O2 -
Comments: Moerdyk, Jonathan P.; Bielawski, Christopher W. Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents. Nature chemistry 4(4) (2012) 275-280
Space group: P -1
Cell volume: 2594.85
Cell parameters: 12.279; 12.381; 18.148; 76.148; 82.469; 76.342;  

COD ID: 1508179
CIF file Formula: - C28 H34 N2 O3 -
Comments: Moerdyk, Jonathan P.; Bielawski, Christopher W. Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents. Nature chemistry 4(4) (2012) 275-280
Space group: P -1
Cell volume: 1219.1
Cell parameters: 8.1786; 10.2957; 14.8635; 85.453; 81.396; 80.662;  

COD ID: 1508181
CIF file Formula: - C31 H33 N3 O5 -
Comments: Moerdyk, Jonathan P.; Bielawski, Christopher W. Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents. Nature chemistry 4(4) (2012) 275-280
Space group: P 1 21/c 1
Cell volume: 5464.9
Cell parameters: 15.9318; 14.2492; 24.1259; 90; 93.8; 90;  

COD ID: 1508183
CIF file Formula: - C42 H54 N4 O2 Si4 U -
Comments: Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B. Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation. Nature chemistry 4(3) (2012) 221-227
Space group: P -4 n 2
Cell volume: 2601.86
Cell parameters: 15.3164; 15.3164; 11.091; 90; 90; 90;  

COD ID: 1508184
CIF file Formula: - C69 H82 N8 O4 Si2 U2 -
Comments: Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B. Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation. Nature chemistry 4(3) (2012) 221-227
Space group: P 1 21/c 1
Cell volume: 7649.5
Cell parameters: 16.2362; 18.1288; 26.4879; 90; 101.144; 90;  

COD ID: 1508185
CIF file Formula: - C79 H83 N8 O4 Si2 U2 -
Comments: Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B. Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation. Nature chemistry 4(3) (2012) 221-227
Space group: P 1 21/n 1
Cell volume: 7690.6
Cell parameters: 15.465; 24.4171; 20.7529; 90; 101.073; 90;  

COD ID: 1508186
CIF file Formula: - C65 H90 N8 O12 Si U3 -
Comments: Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B. Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation. Nature chemistry 4(3) (2012) 221-227
Space group: P -1
Cell volume: 3644.3
Cell parameters: 14.1406; 14.7186; 18.347; 86.724; 77.931; 77.425;  

COD ID: 1508187
CIF file Formula: - C528 H408 F144 N72 O24 P24 Pd12 -
Comments: Sun, Qing-Fu; Sato, Sota; Fujita, Makoto An M~18~L~24~ stellated cuboctahedron through post-stellation of an M~12~L~24~ core Nature Chemistry 4(4) (2012) 330-333
Space group: I m -3 m
Cell volume: 60912
Cell parameters: 39.346; 39.346; 39.346; 90; 90; 90;  

COD ID: 1508188
CIF file Formula: - C552 H408 N90 O92 Pd18 -
Comments: Sun, Qing-Fu; Sato, Sota; Fujita, Makoto An M~18~L~24~ stellated cuboctahedron through post-stellation of an M~12~L~24~ core Nature Chemistry 4(4) (2012) 330-333
Space group: F 4 3 2
Cell volume: 151709
Cell parameters: 53.334; 53.334; 53.334; 90; 90; 90;  

COD ID: 1508189
CIF file Formula: - C56 H90 Ge -
Comments: Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei A stable germanone as the first isolated heavy ketone with a terminal oxygen atom. Nature chemistry 4(5) (2012) 361-365
Space group: C 1 2/c 1
Cell volume: 9916
Cell parameters: 32.638; 18.597; 16.904; 90; 104.878; 90;  

COD ID: 1508190
CIF file Formula: - C56 H90 Ge O -
Comments: Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei A stable germanone as the first isolated heavy ketone with a terminal oxygen atom. Nature chemistry 4(5) (2012) 361-365
Space group: P 1 21/c 1
Cell volume: 5037.73
Cell parameters: 25.3767; 10.9823; 18.0763; 90; 90.2057; 90;  

COD ID: 1508191
CIF file Formula: - C56 H92 Ge O -
Comments: Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei A stable germanone as the first isolated heavy ketone with a terminal oxygen atom. Nature chemistry 4(5) (2012) 361-365
Space group: P 1 21/c 1
Cell volume: 4983.9
Cell parameters: 12.9912; 18.9629; 20.688; 90; 102.064; 90;  

COD ID: 1508192
CIF file Formula: - C57 H94 Ge O -
Comments: Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei A stable germanone as the first isolated heavy ketone with a terminal oxygen atom. Nature chemistry 4(5) (2012) 361-365
Space group: P 1 21/c 1
Cell volume: 5109.3
Cell parameters: 13.71; 17.896; 21.842; 90; 107.56; 90;  

COD ID: 1508193
CIF file Formula: - C56 H92 Ge O2 -
Comments: Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei A stable germanone as the first isolated heavy ketone with a terminal oxygen atom. Nature chemistry 4(5) (2012) 361-365
Space group: P 1 21/c 1
Cell volume: 5040
Cell parameters: 13.0454; 18.9843; 20.817; 90; 102.151; 90;  

COD ID: 1508194
CIF file Formula: - C60.25 H99 Ge O2 -
Comments: Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei A stable germanone as the first isolated heavy ketone with a terminal oxygen atom. Nature chemistry 4(5) (2012) 361-365
Space group: I 41/a :2
Cell volume: 21662.7
Cell parameters: 38.9676; 38.9676; 14.2661; 90; 90; 90;  

COD ID: 1508195
CIF file Formula: - C62 H98 Ge O Si -
Comments: Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei A stable germanone as the first isolated heavy ketone with a terminal oxygen atom. Nature chemistry 4(5) (2012) 361-365
Space group: P 1 21/n 1
Cell volume: 5548.8
Cell parameters: 14.521; 22.215; 17.36; 90; 97.761; 90;  

COD ID: 1508196
CIF file Formula: - C57 H90 Ge O3 -
Comments: Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei A stable germanone as the first isolated heavy ketone with a terminal oxygen atom. Nature chemistry 4(5) (2012) 361-365
Space group: P 1 2/c 1
Cell volume: 2505.3
Cell parameters: 10.0743; 9.9792; 24.924; 90; 90.988; 90;  

COD ID: 1508197
CIF file Formula: - C62 H50 N O2 P -
Comments: Ohmatsu, Kohsuke; Ito, Mitsunori; Kunieda, Tomoatsu; Ooi, Takashi Ion-paired chiral ligands for asymmetric palladium catalysis. Nature chemistry 4(6) (2012) 473-477
Space group: P -1
Cell volume: 2305.9
Cell parameters: 10.736; 13.918; 17.475; 67.825; 89.276; 73.543;  

COD ID: 1508198
CIF file Formula: - C14 H72 Cl3 Co2 N7 Na4 O75 Se2 W19 -
Comments: Symes, Mark D.; Kitson, Philip J.; Yan, Jun; Richmond, Craig J.; Cooper, Geoffrey J. T.; Bowman, Richard W.; Vilbrandt, Turlif; Cronin, Leroy Integrated 3D-printed reactionware for chemical synthesis and analysis. Nature chemistry 4(5) (2012) 349-354
Space group: C 1 2/m 1
Cell volume: 12466
Cell parameters: 34.9972; 20.861; 18.0161; 90; 108.602; 90;  

COD ID: 1508199
CIF file Formula: - C16 H80 Cl3 Mn2 N8 Na3 O75 Se2 W19 -
Comments: Symes, Mark D.; Kitson, Philip J.; Yan, Jun; Richmond, Craig J.; Cooper, Geoffrey J. T.; Bowman, Richard W.; Vilbrandt, Turlif; Cronin, Leroy Integrated 3D-printed reactionware for chemical synthesis and analysis. Nature chemistry 4(5) (2012) 349-354
Space group: C 1 2/m 1
Cell volume: 12408.7
Cell parameters: 36.022; 20.6218; 17.8132; 90; 110.322; 90;  

COD ID: 1508200
CIF file Formula: - C21 H17 Br N2 O -
Comments: Symes, Mark D.; Kitson, Philip J.; Yan, Jun; Richmond, Craig J.; Cooper, Geoffrey J. T.; Bowman, Richard W.; Vilbrandt, Turlif; Cronin, Leroy Integrated 3D-printed reactionware for chemical synthesis and analysis. Nature chemistry 4(5) (2012) 349-354
Space group: P 1 21/n 1
Cell volume: 1673.09
Cell parameters: 9.0792; 13.8548; 13.5655; 90; 101.341; 90;  

COD ID: 1508201
CIF file Formula: - C68 H92.24 F21 N16 O46.62 S4 -
Comments: Ma, Da; Hettiarachchi, Gaya; Nguyen, Duc; Zhang, Ben; Wittenberg, James B.; Zavalij, Peter Y.; Briken, Volker; Isaacs, Lyle Acyclic cucurbit[n]uril molecular containers enhance the solubility and bioactivity of poorly soluble pharmaceuticals. Nature chemistry 4(6) (2012) 503-510
Space group: P 1 21/c 1
Cell volume: 9623.9
Cell parameters: 18.9372; 27.548; 18.7708; 90; 100.644; 90;  

COD ID: 1508202
CIF file Formula: - C42 H52 F16.5 N8 Na2 O29.25 S2 -
Comments: Ma, Da; Hettiarachchi, Gaya; Nguyen, Duc; Zhang, Ben; Wittenberg, James B.; Zavalij, Peter Y.; Briken, Volker; Isaacs, Lyle Acyclic cucurbit[n]uril molecular containers enhance the solubility and bioactivity of poorly soluble pharmaceuticals. Nature chemistry 4(6) (2012) 503-510
Space group: P -1
Cell volume: 13128
Cell parameters: 19.457; 23.652; 29.876; 80.705; 87.973; 75.36;  

COD ID: 1508203
CIF file Formula: - C60 H62 Au2 Cl2 P2 -
Comments: Felix, Ryan J.; Weber, Dieter; Gutierrez, Osvaldo; Tantillo, Dean J.; Gagné, Michel R A gold-catalysed enantioselective Cope rearrangement of achiral 1,5-dienes. Nature chemistry 4(5) (2012) 405-409
Space group: P 21 21 21
Cell volume: 5254.47
Cell parameters: 11.4778; 16.5221; 27.708; 90; 90; 90;  

COD ID: 1508204
CIF file Formula: - C43 H65 N O14 -
Comments: Vukotic, V. Nicholas; Harris, Kristopher J.; Zhu, Kelong; Schurko, Robert W.; Loeb, Stephen J. Metal-organic frameworks with dynamic interlocked components. Nature chemistry 4(6) (2012) 456-460
Space group: P -1
Cell volume: 2268.1
Cell parameters: 10.569; 14.846; 15.667; 79.505; 77.528; 72.252;  

COD ID: 1508205
CIF file Formula: - C35 H55 Cu2 N O19 -
Comments: Vukotic, V. Nicholas; Harris, Kristopher J.; Zhu, Kelong; Schurko, Robert W.; Loeb, Stephen J. Metal-organic frameworks with dynamic interlocked components. Nature chemistry 4(6) (2012) 456-460
Space group: R -3 :H
Cell volume: 9136
Cell parameters: 23.127; 23.127; 19.723; 90; 90; 120;  

COD ID: 1508206
CIF file Formula: - C43 H82 Cl2 F6 Ir2 N4 O6 P4 S2 -
Comments: Scheibel, Markus G.; Askevold, Bjorn; Heinemann, Frank W.; Reijerse, Edward J.; de Bruin, Bas; Schneider, Sven Closed-shell and open-shell square-planar iridium nitrido complexes. Nature chemistry 4(7) (2012) 552-558
Space group: P -1
Cell volume: 2896.79
Cell parameters: 15.0826; 15.0937; 16.1407; 62.563; 78.977; 62.693;  

COD ID: 1508207
CIF file Formula: - C40 H80 Ir2 N4 P4 -
Comments: Scheibel, Markus G.; Askevold, Bjorn; Heinemann, Frank W.; Reijerse, Edward J.; de Bruin, Bas; Schneider, Sven Closed-shell and open-shell square-planar iridium nitrido complexes. Nature chemistry 4(7) (2012) 552-558
Space group: P -1
Cell volume: 2344.1
Cell parameters: 11.5257; 13.0336; 17.1075; 79.173; 89.524; 68.544;  

COD ID: 1508208
CIF file Formula: - C20 H40 Ir N3 P2 -
Comments: Scheibel, Markus G.; Askevold, Bjorn; Heinemann, Frank W.; Reijerse, Edward J.; de Bruin, Bas; Schneider, Sven Closed-shell and open-shell square-planar iridium nitrido complexes. Nature chemistry 4(7) (2012) 552-558
Space group: P 1 21/c 1
Cell volume: 2388.9
Cell parameters: 7.844; 26.903; 11.8151; 90; 106.64; 90;  

COD ID: 1508209
CIF file Formula: - C19 H31 B2 Fe N O3 Si2 -
Comments: Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Radacki, Krzysztof; Damme, Alexander Controlled homocatenation of boron on a transition metal. Nature chemistry 4(7) (2012) 563-567
Space group: P -1
Cell volume: 1201.07
Cell parameters: 8.7118; 9.6694; 16.1522; 91.546; 96.857; 116.772;  

COD ID: 1508210
CIF file Formula: - C36 H62 B4 Fe2 N2 O4 Si4 -
Comments: Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Radacki, Krzysztof; Damme, Alexander Controlled homocatenation of boron on a transition metal. Nature chemistry 4(7) (2012) 563-567
Space group: C 1 2/c 1
Cell volume: 4508.6
Cell parameters: 27.394; 9.3733; 21.725; 90; 126.076; 90;  

COD ID: 1508211
CIF file Formula: - C34 H62 B4 Fe N2 O2 Si4 -
Comments: Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Radacki, Krzysztof; Damme, Alexander Controlled homocatenation of boron on a transition metal. Nature chemistry 4(7) (2012) 563-567
Space group: P -1
Cell volume: 2155.2
Cell parameters: 9.1423; 13.2797; 18.333; 81.242; 86.113; 78.661;  

COD ID: 1508212
CIF file Formula: - C26 H16 -
Comments: Watanabe, Motonori; Chang, Yuan Jay; Liu, Shun-Wei; Chao, Ting-Han; Goto, Kenta; Islam, Md Minarul; Yuan, Chih-Hsien; Tao, Yu-Tai; Shinmyozu, Teruo; Chow, Tahsin J. The synthesis, crystal structure and charge-transport properties of hexacene. Nature chemistry 4(7) (2012) 574-578
Space group: P -1
Cell volume: 779.5
Cell parameters: 6.292; 7.673; 16.424; 98.66; 91.16; 95.71;  

COD ID: 1508213
CIF file Formula: - C26 H16 -
Comments: Watanabe, Motonori; Chang, Yuan Jay; Liu, Shun-Wei; Chao, Ting-Han; Goto, Kenta; Islam, Md Minarul; Yuan, Chih-Hsien; Tao, Yu-Tai; Shinmyozu, Teruo; Chow, Tahsin J. The synthesis, crystal structure and charge-transport properties of hexacene. Nature chemistry 4(7) (2012) 574-578
Space group: P -1
Cell volume: 785.9
Cell parameters: 6.306; 7.697; 16.48; 98.77; 91.25; 95.81;  

COD ID: 1508233
CIF file Formula: - C11 H16 Cl N3 O2 S -
Comments: Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S. Guided desaturation of unactivated aliphatics. Nature chemistry 4(8) (2012) 629-635
Space group: P 1 21/c 1
Cell volume: 1375
Cell parameters: 8.2757; 16.992; 9.7999; 90; 93.804; 90;  

COD ID: 1508234
CIF file Formula: - C17 H24 O3 S -
Comments: Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S. Guided desaturation of unactivated aliphatics. Nature chemistry 4(8) (2012) 629-635
Space group: P 21 21 21
Cell volume: 1619.02
Cell parameters: 5.9123; 15.7609; 17.3746; 90; 90; 90;  

COD ID: 1508235
CIF file Formula: - C15 H21 N O2 S -
Comments: Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S. Guided desaturation of unactivated aliphatics. Nature chemistry 4(8) (2012) 629-635
Space group: P 1 21 1
Cell volume: 752.83
Cell parameters: 8.0945; 9.5301; 9.8131; 90; 96.014; 90;  

COD ID: 1508236
CIF file Formula: - C22 H32 O3 S -
Comments: Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S. Guided desaturation of unactivated aliphatics. Nature chemistry 4(8) (2012) 629-635
Space group: P 1 21 1
Cell volume: 1021.61
Cell parameters: 9.8222; 6.1623; 17.139; 90; 100.004; 90;  

COD ID: 1508237
CIF file Formula: - C27 H35 N O2 S -
Comments: Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S. Guided desaturation of unactivated aliphatics. Nature chemistry 4(8) (2012) 629-635
Space group: P 21 21 21
Cell volume: 2332.2
Cell parameters: 8.724; 11.713; 22.823; 90; 90; 90;  

COD ID: 1508238
CIF file Formula: - C27 H35 N O2 S -
Comments: Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S. Guided desaturation of unactivated aliphatics. Nature chemistry 4(8) (2012) 629-635
Space group: P 21 21 21
Cell volume: 2403.6
Cell parameters: 7.4983; 9.7183; 32.9845; 90; 90; 90;  

COD ID: 1508239
CIF file Formula: - C76 H109 B O4 U2 -
Comments: Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry 4(8) (2012) 668-674
Space group: C 1 2/c 1
Cell volume: 7008.6
Cell parameters: 14.2651; 15.6815; 31.5761; 90; 97.149; 90;  

COD ID: 1508240
CIF file Formula: - C78 H113 B O4 U2 -
Comments: Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry 4(8) (2012) 668-674
Space group: C 1 2/c 1
Cell volume: 7040
Cell parameters: 14.0326; 15.8676; 31.7835; 90; 95.86; 90;  

COD ID: 1508241
CIF file Formula: - C76 H107 B O4 U2 -
Comments: Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry 4(8) (2012) 668-674
Space group: P c a 21
Cell volume: 6742.22
Cell parameters: 24.882; 10.719; 25.2792; 90; 90; 90;  

COD ID: 1508242
CIF file Formula: - C81 H113 B O4 U2 -
Comments: Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry 4(8) (2012) 668-674
Space group: C 1 2/c 1
Cell volume: 7211.1
Cell parameters: 14.2409; 15.9949; 31.9248; 90; 97.411; 90;  

COD ID: 1508243
CIF file Formula: - C80 H108 O4 U2 -
Comments: Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry 4(8) (2012) 668-674
Space group: C 1 2/c 1
Cell volume: 14380
Cell parameters: 25.959; 26.8806; 23.248; 90; 117.573; 90;  

COD ID: 1508244
CIF file Formula: - C30 H78 N4 Si8 U2 -
Comments: Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry 4(8) (2012) 668-674
Space group: P 1 21/c 1
Cell volume: 2385.86
Cell parameters: 10.3378; 17.6019; 13.7838; 90; 107.967; 90;  

COD ID: 1508245
CIF file Formula: - C46 H84 N2 O2 Si4 U2 -
Comments: Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry 4(8) (2012) 668-674
Space group: P 1 21/c 1
Cell volume: 5249.8
Cell parameters: 9.9492; 16.7596; 31.5821; 90; 94.515; 90;  

COD ID: 1508246
CIF file Formula: - C63 H92 O4 U2 -
Comments: Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry 4(8) (2012) 668-674
Space group: P -1
Cell volume: 5742
Cell parameters: 13.9662; 17.3367; 26.0453; 87.379; 78.703; 68.266;  

COD ID: 1508247
CIF file Formula: - C31 H80 N4 Si8 U2 -
Comments: Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry 4(8) (2012) 668-674
Space group: P 1 21/n 1
Cell volume: 10045.6
Cell parameters: 22.026; 17.4845; 28.1385; 90; 112.026; 90;  

COD ID: 1508248
CIF file Formula: - C68 H94 O4 U2 -
Comments: Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry 4(8) (2012) 668-674
Space group: C 1 2/c 1
Cell volume: 6101.5
Cell parameters: 25.9066; 13.8525; 17.9287; 90; 108.504; 90;  

COD ID: 1508249
CIF file Formula: - C36 H82 N4 Si8 U2 -
Comments: Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry 4(8) (2012) 668-674
Space group: P 42
Cell volume: 2694.31
Cell parameters: 14.8957; 14.8957; 12.143; 90; 90; 90;  

COD ID: 1508250
CIF file Formula: - C52 H71 Cr O7 U -
Comments: Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry 4(8) (2012) 668-674
Space group: P 21 21 21
Cell volume: 5091.7
Cell parameters: 11.8917; 15.9353; 26.8697; 90; 90; 90;  

COD ID: 1509097
CIF file Formula: - Ag0.05 Mg1.95 -
Comments: Hardie, D.; Parkins, R.N. Lattice spacing relationships in magnesium solid solutions Philosophical Magazine, Serie 6 (1901-1925) 4 (1959) 815-825
Space group: P 63/m m c
Cell volume: 45.784
Cell parameters: 3.1945; 3.1945; 5.1806; 90; 90; 120;  

COD ID: 1509131
CIF file Formula: - C12 H21 F6 O P -
Comments: Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark Extreme oxatriquinanes and a record C-O bond length. Nature chemistry 4(12) (2012) 1018-1023
Space group: P 1 21/c 1
Cell volume: 1429.94
Cell parameters: 8.4923; 14.1476; 12.0094; 90; 97.677; 90;  

COD ID: 1509132
CIF file Formula: - C18 H33 F6 O P -
Comments: Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark Extreme oxatriquinanes and a record C-O bond length. Nature chemistry 4(12) (2012) 1018-1023
Space group: P 1 21/c 1
Cell volume: 1990.8
Cell parameters: 8.8102; 15.9354; 14.1905; 90; 92.221; 90;  

COD ID: 1509133
CIF file Formula: - C18 H33 F6 O P -
Comments: Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark Extreme oxatriquinanes and a record C-O bond length. Nature chemistry 4(12) (2012) 1018-1023
Space group: R 3 c :H
Cell volume: 2968.9
Cell parameters: 10.2958; 10.2958; 32.34; 90; 90; 120;  

COD ID: 1509134
CIF file Formula: - C22 H40 B11 Cl11 O -
Comments: Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark Extreme oxatriquinanes and a record C-O bond length. Nature chemistry 4(12) (2012) 1018-1023
Space group: P -1
Cell volume: 1854.21
Cell parameters: 9.4366; 13.2814; 14.9075; 92.8458; 90.6035; 96.3976;  

COD ID: 1509222
CIF file Formula: - Ag Al O2 -
Comments: Kandpal, H.C.; Seshadri, R. First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions Solid State Sciences 4 (2002) 1045-1052
Space group: P 63/m m c
Cell volume: 79.887
Cell parameters: 2.8634; 2.8634; 11.2507; 90; 90; 120;  

COD ID: 1509315
CIF file Formula: - Ag F10 P Xe2 -
Comments: Ito, Y.; Hagiwara, R.; Tamada, O.; Matsumoto, K. Synthetic, structural and thermal studies of Ag(I) - Xe F2 complex salts Solid State Sciences 4 (2002) 1465-1469
Space group: I -4 c 2
Cell volume: 913.69
Cell parameters: 8.467; 8.467; 12.745; 90; 90; 90;  

COD ID: 1509335
CIF file Formula: - Ag Fe Mn2 Na O12 P3 -
Comments: Durio, C.; Pico, C.; Chouaibi, N.; Daidouh, A.; Ouassini, A.; Veiga, M.L. Structural and electrical study of the alluaudites (Ag1-x Nax)2 Fe Mn2 (P O4)3 (x = 0, 0.5 and 1) Solid State Sciences 4 (2002) 541-548
Space group: C 1 2/c 1
Cell volume: 906.117
Cell parameters: 12.085; 12.684; 6.498; 90; 114.535; 90;  

COD ID: 1509345
CIF file Formula: - Ag Ga O2 -
Comments: Seshadri, R.; Kandpal, H.C. First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions Solid State Sciences 4 (2002) 1045-1052
Space group: P 63/m m c
Cell volume: 98.385
Cell parameters: 3.0306; 3.0306; 12.3692; 90; 90; 120;  

COD ID: 1509396
CIF file Formula: - Ag In O2 -
Comments: Seshadri, R.; Kandpal, H.C. First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions Solid State Sciences 4 (2002) 1045-1052
Space group: P 63/m m c
Cell volume: 123.594
Cell parameters: 3.353; 3.353; 12.694; 90; 90; 120;  

COD ID: 1509485
CIF file Formula: - Ag Ni0.695 O2 Sb0.305 -
Comments: Jayaraj, M.K.; Tate, J.; Nagarajan, R.; Sleight, A.W.; Uma, S. New Cu M2/3 Sb1/3 O2 and Ag M2/3 Sb1/3 O2 compounds with the delafossite structure Solid State Sciences 4 (2002) 787-792
Space group: R -3 m :H
Cell volume: 151.801
Cell parameters: 3.064; 3.064; 18.671; 90; 90; 120;  

COD ID: 1509494
CIF file Formula: - Ag O2 Sb0.294 Zn0.706 -
Comments: Tate, J.; Uma, S.; Sleight, A.W.; Jayaraj, M.K.; Nagarajan, R. New Cu M2/3 Sb1/3 O2 and Ag M2/3 Sb1/3 O2 compounds with the delafossite structure Solid State Sciences 4 (2002) 787-792
Space group: R -3 m :H
Cell volume: 156.56
Cell parameters: 3.1075; 3.1075; 18.721; 90; 90; 120;  

COD ID: 1509495
CIF file Formula: - Ag O2 Sc -
Comments: Kandpal, H.C.; Seshadri, R. First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions Solid State Sciences 4 (2002) 1045-1052
Space group: P 63/m m c
Cell volume: 111.871
Cell parameters: 3.2306; 3.2306; 12.3771; 90; 90; 120;  

COD ID: 1509496
CIF file Formula: - Ag O2 Y -
Comments: Kandpal, H.C.; Seshadri, R. First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions Solid State Sciences 4 (2002) 1045-1052
Space group: P 63/m m c
Cell volume: 133.339
Cell parameters: 3.5177; 3.5177; 12.4425; 90; 90; 120;  

COD ID: 1509689
CIF file Formula: - Ag2 O2 Pb -
Comments: Evers, L.; Bystroem, A. The crystal structures of Ag2 Pb O2 and Ag5 Pb2 O6 Acta Chemica Scandinavica (1-27,1973-42,1988) 4 (1950) 613-627
Space group: I 1 2/c 1
Cell volume: 346.778
Cell parameters: 6.082; 8.715; 6.556; 90; 93.69; 90;  

COD ID: 1509925
CIF file Formula: - Ag5 O6 Pb2 -
Comments: Evers, L.; Bystroem, A. The Crystal Structures of Ag2 Pb O2 and Ag5 Pb2 O6 Acta Chemica Scandinavica (1-27,1973-42,1988) 4 (1950) 613-627
Space group: P 3 1 m
Cell volume: 196.351
Cell parameters: 5.939; 5.939; 6.428; 90; 90; 120;  

COD ID: 1510052
CIF file Formula: - Ag3.38 Al3.7 O24 Si8.3 -
Comments: Randaccio, L.; Nardin, G.; Mezzetti, A.; Calligaris, M. Cation sites and framework deformations in dehydrated chabazites. Crystal structure of a fully silver-exchanged chabazite. Zeolites 4 (1984) 323-328
Space group: C 1 2/m 1
Cell volume: 2888.47
Cell parameters: 19.24; 13.771; 11.868; 90; 113.28; 90;  

COD ID: 1510152
CIF file Formula: - Au Ga O2 -
Comments: Seshadri, R.; Kandpal, H.C. First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions Solid State Sciences 4 (2002) 1045-1052
Space group: P 63/m m c
Cell volume: 100.09
Cell parameters: 3.0427; 3.0427; 12.4836; 90; 90; 120;  

COD ID: 1510192
CIF file Formula: - Au In O2 -
Comments: Seshadri, R.; Kandpal, H.C. First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions Solid State Sciences 4 (2002) 1045-1052
Space group: P 63/m m c
Cell volume: 123.974
Cell parameters: 3.3654; 3.3654; 12.6394; 90; 90; 120;  

COD ID: 1510262
CIF file Formula: - Au O2 Sc -
Comments: Kandpal, H.C.; Seshadri, R. First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions Solid State Sciences 4 (2002) 1045-1052
Space group: P 63/m m c
Cell volume: 113.028
Cell parameters: 3.2471; 3.2471; 12.3784; 90; 90; 120;  

COD ID: 1510263
CIF file Formula: - Au O2 Y -
Comments: Seshadri, R.; Kandpal, H.C. First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions Solid State Sciences 4 (2002) 1045-1052
Space group: P 63/m m c
Cell volume: 134.502
Cell parameters: 3.5549; 3.5549; 12.2898; 90; 90; 120;  

COD ID: 1510302
CIF file Formula: - Au Sn Sr -
Comments: Trill, H.; Niepmann, D.; Mosel, B.D.; Kussmann, D.; Poettgen, R.; Hoffmann, R.D. Transition metal tin ordering in Sr Pt Sn, Sr Au Sn and Ba Au Sn and 119Sn Moessbauer spectroscopy of Ca Pd Sn, Ca Pt Sn and Sr Au Sn Solid State Sciences 4 (2002) 481-487
Space group: P n m a
Cell volume: 932.589
Cell parameters: 23.414; 4.818; 8.267; 90; 90; 90;  

COD ID: 1510375
CIF file Formula: - Au2 Cd2 Cs2 S4 -
Comments: Axtell, E.A.; Kanatzidis, M.G. First examples of gold thiocadmates: A2 Au2 Cd2 S4 (A = Rb, Cs) and K2 Au4 Cd S4 : bright photoluminescence from new alkali metal/gold thiocadmates Chemistry - A European Journal 4 (1998) 2435-2441
Space group: C m m a
Cell volume: 558.584
Cell parameters: 6.5833; 14.055; 6.0369; 90; 90; 90;  

COD ID: 1510376
CIF file Formula: - Au2 Cd2 Rb2 S4 -
Comments: Kanatzidis, M.G.; Axtell, E.A. First examples of gold thiocadmates: A2 Au2 Cd2 S4 (A = rb, Cs) and K2 Au4 Cd S4 : bright photoluminescence from new alkali metal/gold thiocadmates Chemistry - A European Journal 4 (1998) 2435-2441
Space group: P c c a
Cell volume: 540.675
Cell parameters: 13.93; 5.757; 6.742; 90; 90; 90;  

COD ID: 1510535
CIF file Formula: - Au4 Cd K2 S4 -
Comments: Axtell, E.A.; Kanatzidis, M.G. First examples of gold thiocadmates: A2 Au2 Cd2 S4 (A = rb, Cs) andK2 Au4 Cd S4 : bright photoluminescence from new alkali metal/gold thiocadmates Chemistry - A European Journal 4 (1998) 2435-2441
Space group: I b a m
Cell volume: 1082.52
Cell parameters: 10.568; 6.973; 14.69; 90; 90; 90;  

COD ID: 1510608
CIF file Formula: - Au0.2 Ir0.55 Os0.25 -
Comments: Zvyagintsev, O.S. Ein neues, Metalle der Platingruppe enthaltendes Mineral Comptes Rendus de l'Academie des Sciences de l'URSS 4 (1934) 176-179
Space group: F m -3 m
Cell volume: 55.918
Cell parameters: 3.824; 3.824; 3.824; 90; 90; 90;  

COD ID: 1511002
CIF file Formula: - B2 Co2 O5 -
Comments: Berger, S.V. The crystal structure of cobaltpyroborate Acta Chemica Scandinavica (1-27,1973-42,1988) 4 (1950) 1054-1065
Space group: P -1
Cell volume: 162.918
Cell parameters: 3.16; 5.94; 8.95; 103.9; 91; 92;  

COD ID: 1511236
CIF file Formula: - B Mn -
Comments: Kiessling, R. The borides of manganese Acta Chemica Scandinavica (1-27,1973-42,1988) 4 (1950) 146-159
Space group: P n m a
Cell volume: 68.609
Cell parameters: 5.56; 2.977; 4.145; 90; 90; 90;  

COD ID: 1511237
CIF file Formula: - B Mn2 -
Comments: Kiessling, R. The borides of manganese Acta Chemica Scandinavica (1-27,1973-42,1988) 4 (1950) 146-159
Space group: I 4/m c m
Cell volume: 111.52
Cell parameters: 5.148; 5.148; 4.208; 90; 90; 90;  

COD ID: 1511254
CIF file Formula: - B Nb -
Comments: Kiessling, R.; Andersson, L. Investigations on the binary systems of boron with chromium, columbium, nickel and thorium including a discussion of the phase 'TiB' in the titanium boron system Acta Chemica Scandinavica (1-27,1973-42,1988) 4 (1950) 160-160
Space group: C m c m
Cell volume: 91.091
Cell parameters: 3.298; 8.724; 3.166; 90; 90; 90;  

COD ID: 1511342
CIF file Formula: - B1.28 O64 Si30.72 -
Comments: Marler, B.; Vortmann, S.; Daniels, P.; Gies, H. Synthesis and crystal structure of the new borosilicate zeolite RUB-13 Microporous Materials 4 (1995) 111-121
Space group: C 1 2/m 1
Cell volume: 1930.13
Cell parameters: 9.659; 20.461; 9.831; 90; 96.58; 90;  

COD ID: 1511374
CIF file Formula: - B10 Na5.88 Se18 -
Comments: Lindemann, A.; Doech, M.; Hammerschmidt, A.; Krebs, B. Na6 B10 Se18: a novel selenoborate with a 3D polymeric anion structure Solid State Sciences 4 (2002) 1449-1455
Space group: I 41/a c d :2
Cell volume: 6397.68
Cell parameters: 15.128; 15.128; 27.955; 90; 90; 90;  

COD ID: 1511403
CIF file Formula: - B13 Cs3 O21 -
Comments: Nowogrocki, G.; Touboul, M.; Penin, N.; Seguin, L. A new cesium borate Cs3 B13 O21 Solid State Sciences 4 (2002) 67-76
Space group: C 1 2/c 1
Cell volume: 7542.08
Cell parameters: 23.064; 13.367; 24.464; 90; 90.281; 90;  

COD ID: 1511484
CIF file Formula: - B4 Mn3 -
Comments: Kiessling, R. The borides of manganese Acta Chemica Scandinavica (1-27,1973-42,1988) 4 (1950) 146-159
Space group: I m m m
Cell volume: 115.415
Cell parameters: 3.032; 12.86; 2.96; 90; 90; 90;  

COD ID: 1511490
CIF file Formula: - B4 Nb3 -
Comments: Kiessling, R.; Andersson, L.H. Investigations on the binary systems of boron with chromium, columbium, nickel and thorium including a discussion of the phase "TiB" in the titanium boron system Acta Chemica Scandinavica (1-27,1973-42,1988) 4 (1950) 160-160
Space group: I m m m
Cell volume: 153.651
Cell parameters: 3.305; 14.82; 3.137; 90; 90; 90;  

COD ID: 1511540
CIF file Formula: - B5 Cs O8 -
Comments: Bubnova, R.S.; Anderson, J.E.; Filatov, S.K.; Fundamenskii, V.S. New layered polyanion in alpha-(Cs B5 O8) high-temperature modification Solid State Sciences 4 (2002) 87-91
Space group: P 1 21/c 1
Cell volume: 700.266
Cell parameters: 7.122; 9.64; 11.411; 90; 116.64; 90;  

COD ID: 1511684
CIF file Formula: - B7 O12 Rb3 -
Comments: Krivovichev, S.V.; Filatov, S.K.; Shakhverdova, I.P.; Burns, P.C.; Krzhizhanovskaya, M.G.; Polyakova, I.G.; Bubnova, R.S. Synthesis, crystal structure and thermal behavior of Rb3 B7 O12, a new compound Solid State Sciences 4 (2002) 985-992
Space group: P -1
Cell volume: 1147.46
Cell parameters: 6.603; 6.632; 30.085; 91.183; 91.781; 119.293;  

COD ID: 1511695
CIF file Formula: - B8 La9 Na3 O27 -
Comments: Peshev, P.; Gravereau, P.; Nikolov, V.; Pechev, S.; Chaminade, J.P.; Ivanova, D. Na3 La9 O3 (B O3)8, a new oxyborate in the ternary system (Na2 O) - (La2 O3) - (B2 O3) : preparation and crystal structure Solid State Sciences 4 (2002) 993-998
Space group: P -6 2 m
Cell volume: 598.143
Cell parameters: 8.9033; 8.9033; 8.7131; 90; 90; 120;  

COD ID: 1513042
CIF file Formula: - C14 H21 N2 O4 -
Comments: Ivanova, Bojidarka Matrixes in UV-MALDI mass spectrometry ‒ crystals of organic salts versus co-crystals of neutral polyfunctional carboxylic acids Analytical Methods 4(8) (2012) 2247
Space group: P 1 21/n 1
Cell volume: 2966.4
Cell parameters: 11.024; 9.29; 29.254; 90; 98.054; 90;  

COD ID: 1513043
CIF file Formula: - C8 H8 O3 -
Comments: Ivanova, Bojidarka Matrixes in UV-MALDI Mass spectrometry – crystals of organic salts versus co-crystals of neutral polyfunctional carboxylic acids Analytical Methods 4 (2012) 2247
Space group: P b c a
Cell volume: 1555.6
Cell parameters: 9.9537; 9.6632; 16.173; 90; 90; 90;  

COD ID: 1513044
CIF file Formula: - C24 H34 Cl0 N2 O8 -
Comments: Ivanova, Bojidarka Matrixes in UV-MALDI Mass spectrometry – crystals of organic salts versus co-crystals of neutral polyfunctional carboxylic acids Analytical Methods 4 (2012) 2247
Space group: P 21 21 21
Cell volume: 2387.5
Cell parameters: 7.711; 12.974; 23.865; 90; 90; 90;  

COD ID: 1513596
CIF file Formula: - C17 H26 F6 Fe N4 O6 S2 -
Comments: Spannring, Peter; Prat, Irene; Costas, Miquel; Lutz, Martin; Bruijnincx, Pieter C. A.; Weckhuysen, Bert. M.; Klein Gebbink, Robertus J. M. Fe(6-Me-PyTACN)-catalyzed, one-pot oxidative cleavage of methyl oleate and oleic acid into carboxylic acids with H2O2 and NaIO4 Catalysis Science & Technology 4(3) (2014) 708
Space group: P 21 21 21
Cell volume: 2490.9
Cell parameters: 8.9413; 15.7005; 17.7436; 90; 90; 90;  

COD ID: 1513597
CIF file Formula: - C13 H14 N4 O5 -
Comments: Pradhan, Koyel; Paul, Sanjay; Das, Asish R. Magnetically retrievable nano crystalline CuFe2O4 catalyzed multi-component reaction: a facile and efficient synthesis of functionalized dihydropyrano[2,3-c]pyrazole, pyrano[3,2-c]coumarin and 4H-chromene derivatives in aqueous media Catalysis Science & Technology 4(3) (2014) 822
Space group: P -1
Cell volume: 869.2
Cell parameters: 8.964; 9.189; 11.432; 69.34; 89.43; 80.99;  

COD ID: 1513598
CIF file Formula: - C20 H15 N2 O7 -
Comments: Pradhan, Koyel; Paul, Sanjay; Das, Asish R. Magnetically retrievable nano crystalline CuFe2O4 catalyzed multi-component reaction: a facile and efficient synthesis of functionalized dihydropyrano[2,3-c]pyrazole, pyrano[3,2-c]coumarin and 4H-chromene derivatives in aqueous media Catalysis Science & Technology 4(3) (2014) 822
Space group: P -1
Cell volume: 984.1
Cell parameters: 7.8507; 8.48; 15.77; 96.715; 90.412; 109.096;  

COD ID: 1513599
CIF file Formula: - C22 H22 N4 O7 -
Comments: Pradhan, Koyel; Paul, Sanjay; Das, Asish R. Magnetically retrievable nano crystalline CuFe2O4 catalyzed multi-component reaction: a facile and efficient synthesis of functionalized dihydropyrano[2,3-c]pyrazole, pyrano[3,2-c]coumarin and 4H-chromene derivatives in aqueous media Catalysis Science & Technology 4(3) (2014) 822
Space group: P -1
Cell volume: 1098.7
Cell parameters: 8.549; 11.18; 12.73; 91.165; 104.363; 110.189;  

COD ID: 1513600
CIF file Formula: - C22 H30 F6 Mn N4 O7 S2 -
Comments: Maity, Nabin Ch.; Kumar Bera, Prasanta; Ghosh, Debashis; Abdi, Sayed H. R.; Kureshy, Rukhsana I.; Khan, Noor-ul H.; Bajaj, Hari C.; Suresh, E. Manganese complexes with non-porphyrin N4 ligands as recyclable catalyst for the asymmetric epoxidation of olefins Catalysis Science & Technology 4(1) (2014) 208
Space group: P 21 21 21
Cell volume: 2967.8
Cell parameters: 9.3603; 17.4152; 18.206; 90; 90; 90;  

COD ID: 1513601
CIF file Formula: - C22 H30 F6 Mn N4 O7 S2 -
Comments: Maity, Nabin Ch.; Kumar Bera, Prasanta; Ghosh, Debashis; Abdi, Sayed H. R.; Kureshy, Rukhsana I.; Khan, Noor-ul H.; Bajaj, Hari C.; Suresh, E. Manganese complexes with non-porphyrin N4 ligands as recyclable catalyst for the asymmetric epoxidation of olefins Catalysis Science & Technology 4(1) (2014) 208
Space group: P 21 21 21
Cell volume: 2956.5
Cell parameters: 9.3527; 17.384; 18.184; 90; 90; 90;  

COD ID: 1513602
CIF file Formula: - C38 H65 Cl N2 O3 Rh Si -
Comments: Lázaro, Guillermo; Fernández-Alvarez, Francisco J.; Iglesias, Manuel; Horna, Cristina; Vispe, Eugenio; Sancho, Rodrigo; Lahoz, Fernando J.; Iglesias, Marta; Pérez-Torrente, Jesús J.; Oro, Luis A. Heterogeneous catalysts based on supported Rh‒NHC complexes: synthesis of high molecular weight poly(silyl ether)s by catalytic hydrosilylation Catalysis Science & Technology 4(1) (2014) 62
Space group: P -1
Cell volume: 2023.8
Cell parameters: 10.2529; 12.602; 16.39; 73.082; 87.303; 89.419;  

COD ID: 1513603
CIF file Formula: - C36 H48 Cl4 Fe2 N8 O23 -
Comments: Najafpour, Mohammad Mahdi; Moghaddam, Atefeh Nemati; Sedigh, Davood Jafarian; Hołyńska, Małgorzata A dinuclear iron complex with a single oxo bridge as an efficient water-oxidizing catalyst in the presence of cerium(iv) ammonium nitrate: new findings and current controversies Catalysis Science & Technology 4(1) (2014) 30
Space group: P -1
Cell volume: 9969
Cell parameters: 11.754; 28.117; 30.475; 84.09; 84.78; 87.29;  

COD ID: 1513604
CIF file Formula: - C27 H22 Cl3 N6 O6 Ru -
Comments: Aguiló, Joan; Francàs, Laia; Liu, Hai Jie; Bofill, Roger; García-Antón, Jordi; Benet-Buchholz, Jordi; Llobet, Antoni; Escriche, Lluís; Sala, Xavier Characterization and performance of electrostatically adsorbed Ru‒Hbpp water oxidation catalysts Catalysis Science & Technology 4(1) (2014) 190
Space group: P b c a
Cell volume: 5688.6
Cell parameters: 19.3405; 11.3692; 25.8709; 90; 90; 90;  

COD ID: 1513605
CIF file Formula: - C268 H204 Cl4 F96 N48 P16 Ru8 -
Comments: Aguiló, Joan; Francàs, Laia; Liu, Hai Jie; Bofill, Roger; García-Antón, Jordi; Benet-Buchholz, Jordi; Llobet, Antoni; Escriche, Lluís; Sala, Xavier Characterization and performance of electrostatically adsorbed Ru‒Hbpp water oxidation catalysts Catalysis Science & Technology 4(1) (2014) 190
Space group: P 1 21/n 1
Cell volume: 39083
Cell parameters: 26.0256; 52.12; 28.8286; 90; 91.92; 90;  

COD ID: 1513836
CIF file Formula: - C22 H37 N20 O41 W10 -
Comments: Kulikov, Vladislav; Meyer, Gerd Polyoxotungstates in Molecular Boxes of Purine Bases Crystals 4(1) (2014) 64
Space group: P 1 21/c 1
Cell volume: 2860.8
Cell parameters: 14.477; 10.8678; 21.627; 90; 122.78; 90;  

COD ID: 1513837
CIF file Formula: - C14 H22 N8 O25 W6 -
Comments: Kulikov, Vladislav; Meyer, Gerd Polyoxotungstates in Molecular Boxes of Purine Bases Crystals 4(1) (2014) 64
Space group: C 1 2/c 1
Cell volume: 3237.1
Cell parameters: 16.81; 13.0514; 15.675; 90; 109.73; 90;  

COD ID: 1513838
CIF file Formula: - C21 H45 N12 O46.5 W10 -
Comments: Kulikov, Vladislav; Meyer, Gerd Polyoxotungstates in Molecular Boxes of Purine Bases Crystals 4(1) (2014) 64
Space group: P -1
Cell volume: 3223.8
Cell parameters: 13.4905; 15.1707; 17.0692; 79.594; 89.386; 70.001;  

COD ID: 1514273
CIF file Formula: - C55 H55 Cl2 N2 P Pd -
Comments: Crawford, Katherine A.; Cowley, Alan H.; Humphrey, Simon M. Bis(imino)acenaphthene (BIAN)-supported palladium(ii) carbene complexes as effective C‒C coupling catalysts and solvent effects in organic and aqueous media Catalysis Science & Technology 4(5) (2014) 1456
Space group: P 1 21 1
Cell volume: 4880
Cell parameters: 12.669; 12.248; 31.45; 90; 90.014; 90;  

COD ID: 1514340
CIF file Formula: - C8 H18 O4 Si2 -
Comments: Feghali, Elias; Jacquet, Olivier; Thuéry, Pierre; Cantat, Thibault Catalytic hydrosilylation of oxalic acid: chemoselective formation of functionalized C2-products Catalysis Science & Technology 4(8) (2014) 2230
Space group: P 1 21/n 1
Cell volume: 1362.08
Cell parameters: 10.5425; 11.9183; 11.4221; 90; 108.364; 90;  

COD ID: 1514374
CIF file Formula: - C13 H12 N2 O4 Pd -
Comments: Dornan, Laura M.; Clendenning, Gráinne M. A.; Pitak, Mateusz B.; Coles, Simon J.; Muldoon, Mark J. N,O-ligated Pd(ii) complexes for catalytic alcohol oxidation Catalysis Science & Technology 4(8) (2014) 2526
Space group: P n a 21
Cell volume: 1260.88
Cell parameters: 10.919; 23.8725; 4.8372; 90; 90; 90;  

COD ID: 1514375
CIF file Formula: - C12 H12 N2 O5 Pd S -
Comments: Dornan, Laura M.; Clendenning, Gráinne M. A.; Pitak, Mateusz B.; Coles, Simon J.; Muldoon, Mark J. N,O-ligated Pd(ii) complexes for catalytic alcohol oxidation Catalysis Science & Technology 4(8) (2014) 2526
Space group: P 1 21/c 1
Cell volume: 2760.2
Cell parameters: 19.681; 7.1866; 20.443; 90; 107.332; 90;  

COD ID: 1514378
CIF file Formula: - C55 H42 B F22 N P2 Pt -
Comments: DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V. Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species Chemical Science 4(2) (2013) 642
Space group: P 1 21/n 1
Cell volume: 5325.7
Cell parameters: 15.6555; 18.868; 18.2423; 90; 98.761; 90;  


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