Crystallography Open Database

Search results

Result : There are 38418 entries in the selection

You can download the COD numbers of the selection as a text file

We are unable to provide that many records as a single archive.
You can instead download the entire COD archive as a single .zip, .tgz, or .txz archive.

We are displaying first 300 results.

Searching space group like 'C 1 2/c 1'

COD ID: 1000007
CIF file	Formula: - Ca Mg O6 Si2 - Comments: Thompson, R. M.; Downs, R. T. The crystal structure of diopside at pressure to 10 GPa Sample: P = 1 atm American Mineralogist 93 (2008) 177-186 Space group: C 1 2/c 1 Cell volume: 438.631 Cell parameters: 9.7397; 8.9174; 5.2503; 90; 105.866; 90;

COD ID: 1000008
CIF file	Formula: - Ca Mg O6 Si2 - Comments: Thompson, R. M.; Downs, R. T. The crystal structure of diopside at pressure to 10 GPa Sample: P = 0.13 GPa American Mineralogist 93 (2008) 177-186 Space group: C 1 2/c 1 Cell volume: 438.386 Cell parameters: 9.7377; 8.9151; 5.2494; 90; 105.851; 90;

COD ID: 1000009
CIF file	Formula: - Ca Mg O6 Si2 - Comments: Thompson, R. M.; Downs, R. T. The crystal structure of diopside at pressure to 10 GPa Sample: P = 2.32 GPa American Mineralogist 93 (2008) 177-186 Space group: C 1 2/c 1 Cell volume: 430.513 Cell parameters: 9.6808; 8.8488; 5.218; 90; 105.606; 90;

COD ID: 1000010
CIF file	Formula: - Ca Mg O6 Si2 - Comments: Thompson, R. M.; Downs, R. T. The crystal structure of diopside at pressure to 10 GPa Sample: P = 4.22 GPa American Mineralogist 93 (2008) 177-186 Space group: C 1 2/c 1 Cell volume: 424.129 Cell parameters: 9.6341; 8.7948; 5.1926; 90; 105.421; 90;

COD ID: 1000011
CIF file	Formula: - Ca Mg O6 Si2 - Comments: Thompson, R. M.; Downs, R. T. The crystal structure of diopside at pressure to 10 GPa Sample: P = 5.11 GPa American Mineralogist 93 (2008) 177-186 Space group: C 1 2/c 1 Cell volume: 421.256 Cell parameters: 9.6135; 8.7695; 5.1813; 90; 105.337; 90;

COD ID: 1000012
CIF file	Formula: - Ca Mg O6 Si2 - Comments: Thompson, R. M.; Downs, R. T. The crystal structure of diopside at pressure to 10 GPa Sample: P = 7.08 GPa American Mineralogist 93 (2008) 177-186 Space group: C 1 2/c 1 Cell volume: 415.493 Cell parameters: 9.5731; 8.7197; 5.158; 90; 105.203; 90;

COD ID: 1000013
CIF file	Formula: - Ca Mg O6 Si2 - Comments: Thompson, R. M.; Downs, R. T. The crystal structure of diopside at pressure to 10 GPa Sample: P = 8.01 GPa American Mineralogist 93 (2008) 177-186 Space group: C 1 2/c 1 Cell volume: 412.826 Cell parameters: 9.5557; 8.6951; 5.1474; 90; 105.148; 90;

COD ID: 1000014
CIF file	Formula: - Ca Mg O6 Si2 - Comments: Thompson, R. M.; Downs, R. T. The crystal structure of diopside at pressure to 10 GPa Sample: P = 8.88 GPa American Mineralogist 93 (2008) 177-186 Space group: C 1 2/c 1 Cell volume: 410.536 Cell parameters: 9.5391; 8.6752; 5.1385; 90; 105.106; 90;

COD ID: 1000015
CIF file	Formula: - Ca Mg O6 Si2 - Comments: Thompson, R. M.; Downs, R. T. The crystal structure of diopside at pressure to 10 GPa Sample: P = 9.50 GPa American Mineralogist 93 (2008) 177-186 Space group: C 1 2/c 1 Cell volume: 408.681 Cell parameters: 9.527; 8.6587; 5.1306; 90; 105.067; 90;

COD ID: 1000016
CIF file	Formula: - Ca Mg O6 Si2 - Comments: Thompson, R. M.; Downs, R. T. The crystal structure of diopside at pressure to 10 GPa Sample: P = 10.16 GPa American Mineralogist 93 (2008) 177-186 Space group: C 1 2/c 1 Cell volume: 407.164 Cell parameters: 9.5164; 8.6449; 5.1246; 90; 105.033; 90;

COD ID: 1000035
CIF file	Formula: - Al0.34 Ca0.6 Fe0.2 Mg0.9 Na0.1 O6 Si1.82 - Comments: Clark, J R; Appleman, D E; Papike, J J Crystal-Chemical Characterization of Clinopyroxenes based on Eight New Structure Refinements Mineralogical Society of America: Special Papers 2 (1969) 31-50 Space group: C 1 2/c 1 Cell volume: 432.5 Cell parameters: 9.699; 8.844; 5.272; 90; 106.97; 90;

COD ID: 1000042
CIF file	Formula: - Al3 H2 K O12 Si3 - Comments: Gatineau, L Localisation des remplacements isomorphiques dans la Muscovite Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 256 (1963) 4648-4649 Space group: C 1 2/c 1 Cell volume: 934.2 Cell parameters: 5.189; 8.995; 20.09698; 90; 95.18; 90;

COD ID: 1000118
CIF file	Formula: - H6 O6 P2 V - Comments: Le Bail, A; Marcos, M D; Amoros, P Ab initio crystal structure determination of V O (H2 P O2) .(H2 O) from X-ray and neutron powder diffraction data. A monodimensional vanadium(IV) hypophosphite Inorganic Chemistry 33 (1994) 2607-2613 Space group: C 1 2/c 1 Cell volume: 629.4 Cell parameters: 12.046; 8.147; 7.548; 90; 121.83; 90;

COD ID: 1000119
CIF file	Formula: - H6 O6 P2 V - Comments: Le Bail, A; Marcos, M D; Amoros, P Ab initio crystal structure determination of V O (H2 P O2) .(H2 O) from X-ray and neutron powder diffraction data. A monodimensional vanadium(IV) hypophosphite Inorganic Chemistry 33 (1994) 2607-2613 Space group: C 1 2/c 1 Cell volume: 633.4 Cell parameters: 12.179; 8.096; 7.638; 90; 122.75; 90;

COD ID: 1000120
CIF file	Formula: - H6 O6 P2 V - Comments: Le Bail, A; Marcos, M D; Amoros, P Ab initio crystal structure determination of V O (H2 P O2) .(H2 O) from X-ray and neutron powder diffraction data. A monodimensional vanadium(IV) hypophosphite Inorganic Chemistry 33 (1994) 2607-2613 Space group: C 1 2/c 1 Cell volume: 636.9 Cell parameters: 12.195; 8.111; 7.651; 90; 122.69; 90;

COD ID: 1000121
CIF file	Formula: - H6 O6 P2 V - Comments: Le Bail, A; Marcos, M D; Amoros, P Ab initio crystal structure determination of V O (H2 P O2) .(H2 O) from X-ray and neutron powder diffraction data. A monodimensional vanadium(IV) hypophosphite Inorganic Chemistry 33 (1994) 2607-2613 Space group: C 1 2/c 1 Cell volume: 636.6 Cell parameters: 12.262; 8.069; 7.702; 90; 123.34; 90;

COD ID: 1000132
CIF file	Formula: - Ba F6 H0.075 O0.0375 Zr - Comments: Le Bail, A.; Mercier, A. M. Synthesis and crystal structure of γ-BaZrF~6~ Journal of Solid State Chemistry 101 (1992) 229-236 Space group: C 1 2/c 1 Cell volume: 1961.9 Cell parameters: 13.193; 7.499; 19.83899; 90; 91.69; 90;

COD ID: 1000144
CIF file	Formula: - F9 Fe2 Na Pb - Comments: Le Bail, A Structure determination of Na Pb Fe2 F9 by x-ray powder diffraction Journal of Solid State Chemistry 83 (1989) 267-271 Space group: C 1 2/c 1 Cell volume: 700.2 Cell parameters: 7.308; 12.559; 7.64; 90; 93.06; 90;

COD ID: 1000158
CIF file	Formula: - Cr F5 Mn - Comments: Ferey, G; de Pape, R; Poulain, M; Grandjean, D; Hardy, A La structure cristalline de Mn Cr F~5~ Acta Crystallographica B (24,1968-38,1982) 33 (1977) 1409-1413 Space group: C 1 2/c 1 Cell volume: 360 Cell parameters: 8.586; 6.291; 7.381; 90; 115.46; 90;

COD ID: 1000159
CIF file	Formula: - Cr F5 Mn - Comments: Ferey, G; de Pape, R; Boucher, B Structure magnetique du fluorure antiferromagnetique Mn Cr F~5~ Acta Crystallographica B (24,1968-38,1982) 34 (1978) 1084-1091 Space group: C 1 2/c 1 Cell volume: 371.3 Cell parameters: 8.856; 6.291; 7.381; 90; 115.46; 90;

COD ID: 1000160
CIF file	Formula: - Cr F5 Mn - Comments: Ferey, G; de Pape, R; Boucher, B Structure cristalline du fluorure antiferromagnetique Mn Cr F~5~ Acta Crystallographica B (24,1968-38,1982) 34 (1978) 1084-1091 Space group: C 1 2/c 1 Cell volume: 371.3 Cell parameters: 8.856; 6.291; 7.381; 90; 115.46; 90;

COD ID: 1000215

CIF file

Formula: - Ba Cu F7 Fe -
Comments: Renaudin, J; Calage, Y; Samouel, M; Kozak, A de; Leblanc, M; Ferey, G Complex copper II fluorides. II.- Crystal structure, magnetic properties and Moessbauer study of the partly disordered ferrimagnet BaCuFeF~7~ Revue de Chimie Minerale 22 (1985) 74-87
Space group: C 1 2/c 1
Cell volume: 527.7
Cell parameters: 10.695; 9.932; 5.654; 90; 118.53; 90;

COD ID: 1000232

CIF file

Formula: - Cu3 F7 Na -
Comments: Renaudin, J; Leblanc, M; Ferey, G; De, Kozak A; Samouel, M Complex Copper(II) Fluorides IX. Weberite-Related Na Cu~3~ F~7~: The First Fluoride with Copper Both in Square Planar and Octahedral Coordination Journal of Solid State Chemistry 73 (1988) 603-609
Space group: C 1 2/c 1
Cell volume: 530.7
Cell parameters: 12.124; 7.344; 6.924; 90; 120.59; 90;

COD ID: 1000252
CIF file	Formula: - Cu F8 Fe2 H4 O2 - Comments: Leblanc, M; Ferey, G Room-temperature structure of diaquaoctafluorocopper(II) diiron(III) Acta Crystallographica C (39,1983-) 46 (1990) 13-15 Space group: C 1 2/c 1 Cell volume: 736.8 Cell parameters: 7.541; 7.501; 13.027; 90; 90.52; 90;

COD ID: 1000269
CIF file	Formula: - Ba Cr3 Cs F12 - Comments: Ferey, G; Renaudin, J; de Kozak, A; Mary, Y Crystal chemistry, plane nets and arabic mosaics: the structure of CsBaCr~3~F~12~, a new MX~4~ network Zeitschrift fuer Kristallographie (149,1979-) 189 (1989) 181-190 Space group: C 1 2/c 1 Cell volume: 2109.8 Cell parameters: 17.184; 9.886; 15.037; 90; 124.32; 90;

COD ID: 1000300
CIF file	Formula: - Al Ca F5 - Comments: Hemon, A.; Courbion, G. Refinement of the room-temperature structure of α-CaAlF~5~ Acta Crystallographica, Section C: Crystal Structure Communications 47(6) (1991) 1302-1303 Space group: C 1 2/c 1 Cell volume: 366.4 Cell parameters: 8.712; 6.317; 7.349; 90; 115.04; 90;

COD ID: 1000324
CIF file	Formula: - Ba4 F12 Nb2 O3 - Comments: Crosnier-Lopez, M P; Fourquet, J L Synthesis and crystal structure of Ba~4~Nb~2~O~3~F~12~ Journal of Solid State Chemistry 103 (1993) 131-138 Space group: C 1 2/c 1 Cell volume: 4053.6 Cell parameters: 22.672; 13.075; 14.996; 90; 114.234; 90;

COD ID: 1000337
CIF file	Formula: - Na2 O7 P2 Pd - Comments: Laligant, Y Structure determination of Na~2~PdP~2~O~7~ from X-ray powder diffraction European Journal of Solid State Inorganic Chemistry 29 (1992) 83-94 Space group: C 1 2/c 1 Cell volume: 622.1 Cell parameters: 14.693; 5.8551; 7.922; 90; 114.11; 90;

COD ID: 1000340
CIF file	Formula: - Cr5 F26 Na3 Sr4 - Comments: Hemon, A; Courbion, G New pentamers of octahedra: structural and magnetic characterization of Na~3~Sr~4~Cr~5~F~26~ Journal of Solid State Chemistry 98 (1992) 358-365 Space group: C 1 2/c 1 Cell volume: 4059.4 Cell parameters: 19.959; 7.45; 29.291; 90; 111.244; 90;

COD ID: 1000400

CIF file

Formula: - F34 Fe6 Na1.96 Sr6.04 Zn -
Comments: Hemon-Ribaud, A; Crosnier-Lopez, M P; Fourquet, J L; Courbion, G On new fluorides with the jarlite-type structure: crystal structures of Na2 Sr7 Al6 F34, Na2 Sr6 Zn Fe6 F34 and Ba7 Ga6 (F, OH)32 . 2H2O Journal of Fluorine Chemistry 68 (1994) 155-163
Space group: C 1 2/c 1
Cell volume: 2630.7
Cell parameters: 16.16699; 11.013; 15.09; 90; 101.72; 90;

COD ID: 1000411
CIF file	Formula: - Ba2 Cu5 F14 - Comments: de Kozak, A.; Samouel, M.; Renaudin, J.; Ferey, G. Fluorures complexes de cuivre II. V. Structure cristalline de α-Ba~2~Cu~5~F~14~ Revue de Chimie Minerale 23 (1986) 352-361 Space group: C 1 2/c 1 Cell volume: 1111.3 Cell parameters: 18.17; 6.652; 10.328; 90; 117.1; 90;

COD ID: 1000420
CIF file	Formula: - Cr2 F5 - Comments: Lacorre, P; Ferey, G; Pannetier, J The magnetic structure of Cr2 F5 Journal of Solid State Chemistry 96 (1992) 227-236 Space group: C 1 2/c 1 Cell volume: 359.8 Cell parameters: 7.7526; 7.5228; 7.4477; 90; 124.081; 90;

COD ID: 1000460
CIF file	Formula: - Cr0.5 Cu0.5 P S3 - Comments: Colombet, P; Leblanc, A; Danot, M; Rouxel, J Structural aspects and magnetic properties of the lamellar compound Cu0.5 Cr0.5 P S3 Journal of Solid State Chemistry 41 (1982) 174-184 Space group: C 1 2/c 1 Cell volume: 777.2 Cell parameters: 5.916; 10.246; 13.415; 90; 107.09; 90;

COD ID: 1000509

CIF file

Formula: - C23 H34 O4 Si -
Comments: Martel, A.; Leconte, S.; Dujardin, G.; Brown, E.; Maisonneuve, V.; Retoux, R. Lewis Acid Catalysed [4+2] Heterocycloadditions between Ketone Enol Ethers and β-Ethylenic α-Oxo Esters European Journal of Organic Chemistry 2002(3) (2002) 514-525
Space group: C 1 2/c 1
Cell volume: 4710.48
Cell parameters: 28.084; 8.3502; 20.303; 90; 98.37; 90;

COD ID: 1001023
CIF file	Formula: - Ca H4 N2 O8 - Comments: Leclaire, A. Identification d'un nouvel hydrate du nitrate de calcium Ca(NO~3~)~2~.2H~2~O β Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 30(3) (1974) 605-607 Space group: C 1 2/c 1 Cell volume: 654.9 Cell parameters: 7.79; 6.88; 12.22; 90; 90; 90;

COD ID: 1001236
CIF file	Formula: - K4 Mo8 O52 P12 - Comments: Leclaire, A; Monier, J C; Raveau, B K~4~ Mo~8~ P~12~ O~52~, A Tunnel Structure Characterized by an Unusual Valence of Molybdenum Journal of Solid State Chemistry 48 (1983) 147-153 Space group: C 1 2/c 1 Cell volume: 1077.8 Cell parameters: 10.7433; 14.0839; 8.8519; 90; 126.42; 90;

COD ID: 1001251
CIF file	Formula: - Ba O4 Sc2 - Comments: Agafonov, V; Kahn, A; Michel, D; Guymont, M Crystal structure of Ba Sc~2~ O~4~; its relation with Perovskite Materials Research Bulletin 18 (1983) 975-981 Space group: C 1 2/c 1 Cell volume: 1180.6 Cell parameters: 9.84; 5.81; 20.65; 90; 90; 90;

COD ID: 1001344
CIF file	Formula: - Mo O11 P3 Si - Comments: Leclaire, A; Raveau, B Mo P~3~ Si O~11~: A silicophosphate of molybdenum(III) Journal of Solid State Chemistry 71 (1987) 283-290 Space group: C 1 2/c 1 Cell volume: 1635 Cell parameters: 14.584; 8.416; 14.18; 90; 110.05; 90;

COD ID: 1001345
CIF file	Formula: - B2 O6 U - Comments: Gasperin, M Structure du borate d'uranium U B~2~ O~6~ Acta Crystallographica C (39,1983-) 43 (1987) 2031-2033 Space group: C 1 2/c 1 Cell volume: 462.7 Cell parameters: 12.504; 4.183; 10.453; 90; 122.18; 90;

COD ID: 1001443
CIF file	Formula: - B2 O5 Th - Comments: Cousson, A; Gasperin, M Synthese et structure du borate de thorium: ThB~2~O~5~ Acta Crystallographica C (39,1983-) 47 (1991) 10-12 Space group: C 1 2/c 1 Cell volume: 805.4 Cell parameters: 11.545; 6.937; 10.263; 90; 101.5; 90;

COD ID: 1001510
CIF file	Formula: - Ba O14 P4 V2 - Comments: Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Raveau, B Structure of barium vanadium(III) diphosphate Acta Crystallographica C (39,1983-) 47 (1991) 2437-2438 Space group: C 1 2/c 1 Cell volume: 1051.3 Cell parameters: 10.6213; 10.4685; 9.7063; 90; 103.074; 90;

COD ID: 1001516
CIF file	Formula: - Ba Mo2 O14 P4 - Comments: Leclaire, A; Chardon, J; Borel, M M; Grandin, A; Raveau, B A new molybdenum(III) phosphate: BaMo~2~P~4~O~14~ isotypic with BaM~2~P~4~O~14~ (M=Ti^III^,V^III^) Zeitschrift fuer Anorganische und Allgemeine Chemie 617 (1992) 127-130 Space group: C 1 2/c 1 Cell volume: 1098.2 Cell parameters: 10.8135; 10.6407; 9.821; 90; 103.629; 90;

COD ID: 1001538

CIF file

Formula: - Na3.04 Nb7 O29 P4 -
Comments: Benabbas, A; Leligny, H; Borel, M M; Grandin, A; Leclaire, A; Raveau, B Na~4-x~Nb~7~P~4~O~29~: A Phosphate Niobium Bronze Intergrowth of the Members M=3 snd M=4 of the MPTB's Series Na~x~(NbO~3~)~2m~(PO~2~)~4~ Journal of Solid State Chemistry 101 (1992) 137-144
Space group: C 1 2/c 1
Cell volume: 2306.8
Cell parameters: 32.85; 5.3484; 13.252; 90; 97.79; 90;

COD ID: 1001568
CIF file	Formula: - Cd5 O25 P6 V3 - Comments: Crespoa, P; Grandin, A; Borel, M M; Leclaire, A; Raveau, B A new mixed-valent vanadium phosphate with a tunnel structure Cd~5~V~3~P~6~O~25~ Journal of Solid State Chemistry 105 (1993) 307-312 Space group: C 1 2/c 1 Cell volume: 1869 Cell parameters: 16.861; 4.71; 24.16; 90; 103.07; 90;

COD ID: 1001600
CIF file	Formula: - Cd3 O24 P6 V4 - Comments: Boudin, S; Grandin, A; Borel, M M; Leclaire, A; Raveau, B A trivalent vanadium monophosphate with a tunnel structure: Cd~3~V~4~(PO~4~)~6~ Journal of Solid State Chemistry 110 (1994) 43-49 Space group: C 1 2/c 1 Cell volume: 913.1 Cell parameters: 12.446; 12.547; 6.487; 90; 115.66; 90;

COD ID: 1001616
CIF file	Formula: - O17 P4 Pb2 V3 - Comments: Leclaire, A; Chardon, J; Grandin, A; Borel, M M; Raveau, B The monophosphate Pb~2~V~2~VO(PO~4~)~4~: a tunnel structure with the mixed valence V(III)-V(IV) Journal of Solid State Chemistry 108 (1994) 291-298 Space group: C 1 2/c 1 Cell volume: 2666.4 Cell parameters: 17.74699; 18.05099; 9.344; 90; 117.03; 90;

COD ID: 1001621
CIF file	Formula: - K0.58 O7 P2 Ti - Comments: Leclaire, A; Chardon; Borel, M M; Raveau, B A mixed valent titanium diphosphate with an intersecting tunnel structure K~0.~/5~8~TiP~2~O~7~ Journal of Solid State Chemistry 109 (1994) 83-87 Space group: C 1 2/c 1 Cell volume: 1189.3 Cell parameters: 17.85199; 6.298; 12.181; 90; 119.73; 90;

COD ID: 1001643
CIF file	Formula: - Mo4 Na3 O24 P5 - Comments: Leclaire, A; Hoareau, T; Borel, M M; Grandin, A; Raveau, B A sodium Mo(V) monophosphate with a tunnel structure: Na3 (Mo O)4 (P O4)5 Journal of Solid State Chemistry 114 (1995) 543-549 Space group: C 1 2/c 1 Cell volume: 1880.7 Cell parameters: 16.78899; 8.5; 16.36099; 90; 126.34; 90;

COD ID: 1001649
CIF file	Formula: - Ag O11 P3 V2 - Comments: Grandin, A; Leclaire, A; Borel, M M; Raveau, B A V(III) phosphate built up from bioctahedral V2 O10 units: Ag V2 (P O4) P2 O7 Journal of Solid State Chemistry 115 (1995) 521-524 Space group: C 1 2/c 1 Cell volume: 789.1 Cell parameters: 11.546; 8.548; 8.779; 90; 114.39; 90;

COD ID: 1001676
CIF file	Formula: - Al2 Ge2 O7 - Comments: Agafonov, V; Kahn, A; Michel, D; Perez y Jorba, M Crystal structure of a new digermanate: Al2 Ge2 O7 Journal of Solid State Chemistry 62 (1986) 402-404 Space group: C 1 2/c 1 Cell volume: 501.3 Cell parameters: 7.132; 7.741; 9.702; 90; 110.62; 90;

COD ID: 1001766
CIF file	Formula: - K2 O9 P2 W - Comments: Borel, M-M; Leclaire, A; Chardon, J; Michel, C; Raveau, B New molybdeno- and tungstodiphosphates with the (N H4)2 Mo O2 P2 O7chain-like structure Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-) 324 (1997) 189-195 Space group: C 1 2/c 1 Cell volume: 1689 Cell parameters: 13.766; 8.002; 15.497; 90; 98.34; 90;

COD ID: 1001784

CIF file

Formula: - H13 N3 O8 S2 -
Comments: Leclaire, A; Ledesert, M; Monier, J C; Daoud, A; Damak, M Structure du disulfate acide de triammonium. Une redetermination. Relations des chaines de liaisons hydrogene avec la morphologie et la conductivite eletrique Acta Crystallographica B (39,1983-) 41 (1985) 209-213
Space group: C 1 2/c 1
Cell volume: 901.1
Cell parameters: 15.435; 5.865; 10.1696; 90; 101.829; 90;

COD ID: 1001807
CIF file	Formula: - Li2 Mo2 Na O14 P3 - Comments: Ledain, S; Leclaire, A; Borel, M M; Raveau, B A Mo(V) monophosphate with an original tridimensional framework: Li2 Na (Mo O)2 (P O4)3 Journal of Solid State Chemistry 129 (1997) 298-302 Space group: C 1 2/c 1 Cell volume: 2151.4 Cell parameters: 15.668; 8.135; 17.74699; 90; 107.994; 90;

COD ID: 1001811
CIF file	Formula: - Mo2 Na3 O14 P3 - Comments: Ledain, S; Leclaire, A; Borel, M M; Raveau, B A sodium molybdenyl monophosphate with an intersecting tunnel structure: Na3 (Mo O)2 (P O4)3 Journal of Solid State Chemistry 132 (1997) 249-256 Space group: C 1 2/c 1 Cell volume: 1140.4 Cell parameters: 15.211; 8.9093; 9.362; 90; 115.99; 90;

COD ID: 1004001
CIF file	Formula: - C72 H162 P6 S8 W6 - Comments: Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J. Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds Inorganic Chemistry 40(12) (2001) 2666-2674 Space group: C 1 2/c 1 Cell volume: 9599.1 Cell parameters: 24.6648; 19.8619; 20.1365; 90; 103.324; 90;

COD ID: 1004004

CIF file

Formula: - C51.5 H91.5 N11 O7.25 S8 W6 -
Comments: Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J. Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds Inorganic Chemistry 40(12) (2001) 2666-2674
Space group: C 1 2/c 1
Cell volume: 6681.8
Cell parameters: 14.8105; 18.5419; 25.108; 90; 104.284; 90;

COD ID: 1004007
CIF file	Formula: - C32 H88 N8 S8 W6 - Comments: Song Jin; Ran Zhou; Ellen M. Scheuer; Jennifer Adamchuk; Lori L. Rayburn; Francis J. DiSalvo Synthesis, Characterization, and Ligand Exchange Studies of W6S8L6 Cluster Compounds Inorganic Chemistry 40 (2001) 2666-2674 Space group: C 1 2/c 1 Cell volume: 5451.46 Cell parameters: 23.1036; 20.8216; 11.497; 90; 99.703; 90;

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]88H2O 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: 1004081
CIF file	Formula: - Bi2 K3 O12 V3 - Comments: Debreuille-Gresse, M F; Abraham, F Crystal structure and electrical properties of K~3~ Bi~2~ (V O~4~)~3~, a new potassium bismuth vanadate Journal of Solid State Chemistry 71 (1987) 466-471 Space group: C 1 2/c 1 Cell volume: 1265.1 Cell parameters: 13.957; 13.858; 7.095; 90; 112.8; 90;

COD ID: 1004082
CIF file	Formula: - Bi Cl6 Cs3 - Comments: Benachenhou, F; Mairesse, G; Nowogrocki, G; Thomas, D Structural studies of Cs-K-Bi mixed chlorides relation to the crystal structures of A~2~ B M X~6~, A~3~ M X~6~ and A~2~ M X~6~ Journal of Solid State Chemistry 65 (1986) 13-26 Space group: C 1 2/c 1 Cell volume: 2883.4 Cell parameters: 27.017; 8.252; 13.121; 90; 99.7; 90;

COD ID: 1004083
CIF file	Formula: - Bi Cl6 Cs K2 - Comments: Benachenhou, F; Mairesse, G; Nowogrocki, G; Thomas, D Structural studies of Cs-K-Bi mixed chlorides relation to the crystal structures of A~2~ B M X~6~, A~3~ M X~6~ and A~2~ M X~6~ Journal of Solid State Chemistry 65 (1986) 13-26 Space group: C 1 2/c 1 Cell volume: 2542.3 Cell parameters: 25.653; 7.799; 12.874; 90; 99.24; 90;

COD ID: 1004113
CIF file	Formula: - Cu Na2 O7 P2 - Comments: Erragh, F; Boukhari, A; Abraham, F; Elouadi, B The crystal structure of $-alpha- and $-beta- Na2 Cu P2 O7 Journal of Solid State Chemistry 120 (1995) 23-31 Space group: C 1 2/c 1 Cell volume: 612.8 Cell parameters: 14.728; 5.698; 8.067; 90; 115.15; 90;

COD ID: 1005050
CIF file	Formula: - Ba Cu N - Comments: Niewa, R; DiSalvo, F J Breaking up chains: the nitridocuprates(I) Ba (Cu N), Ba16 ((Cu N)8) (Cu2 N3) (Cu3 N4) and Ca4 Ba (Cu N2)2 Journal of Alloys Compd. 279 (1998) 153-160 Space group: C 1 2/c 1 Cell volume: 744 Cell parameters: 14.462; 5.57; 9.478; 90; 102.96; 90;

COD ID: 1006040
CIF file	Formula: - F4 H2 K Mn O - Comments: Palacio, F; Andres, M; Rodriguez-Carvajal, J; Pannetier, J Magnetic structures of the MnIII weak ferromagnets AMnF~4~.H~2~O (A=Rb and K) Journal of Physics: Condensed Matter 3 (1991) 2379-2390 Space group: C 1 2/c 1 Cell volume: 846.1 Cell parameters: 13.7546; 6.1406; 10.3343; 90; 104.23; 90;

COD ID: 1006041
CIF file	Formula: - F4 H2 Mn O Rb - Comments: Palacio, F; Andres, M; Rodriguez-Carvajal, J; Pannetier, J Magnetic structures of the MnIII weak ferromagnets AMnF~4~.H~2~O (A=Rb and K) Journal of Physics: Condensed Matter 3 (1991) 2379-2390 Space group: C 1 2/c 1 Cell volume: 904.6 Cell parameters: 13.8323; 6.4285; 10.4837; 90; 103.98; 90;

COD ID: 1007009
CIF file	Formula: - Be2 H4 N O10 P3 - Comments: Averbuch-Pouchot, M T; Durif, A; Coing-Boyat, J; Guitel, J C Phosphoberyllate d'ammonium Acta Crystallographica B (24,1968-38,1982) 33 (1977) 203-205 Space group: C 1 2/c 1 Cell volume: 838 Cell parameters: 12.202; 8.645; 8.949; 90; 117.41; 90;

COD ID: 1007010
CIF file	Formula: - H4 N O12 P4 Pr - Comments: Masse, R.; Guitel, J. C.; Durif, A. Structure cristalline du tetrametaphosphate de praseodyme-ammonium, PrNH~4~P~4~O~12~. Donnees cristallographiques de PrNH~4~P~4~O~12~ Acta Crystallographica B (24,1968-38,1982) 33(2) (1977) 630-632 Space group: C 1 2/c 1 Cell volume: 1001.8 Cell parameters: 7.916; 12.647; 10.672; 90; 110.34; 90;

COD ID: 1007014
CIF file	Formula: - Ag Ba H8 O13 P3 - Comments: Seethanen, D; Durif, A; Guitel, J C Structure cristalline du trimetaphosphate de baryum-argent tetrahydrate. Ba Ag P~3~ O~9~ (H~2~ O)~4~ Acta Crystallographica B (24,1968-38,1982) 33 (1977) 2716-2719 Space group: C 1 2/c 1 Cell volume: 2387.1 Cell parameters: 21.35; 7.163; 18.35; 90; 121.72; 90;

COD ID: 1007027
CIF file	Formula: - Ba2 H20 O28 P6 Zn - Comments: Durif, A; Averbuch-Pouchot, M T; Guitel, J C Structure cristalline du trimetaphosphate de baryum-zinc decahydrate Ba~2~ Zn (P~3~ O~9~)~2~ (H~2~ O)~10~ Acta Crystallographica B (24,1968-38,1982) 31 (1975) 2680-2682 Space group: C 1 2/c 1 Cell volume: 2565.2 Cell parameters: 26.52; 7.625; 12.92; 90; 100.93; 90;

COD ID: 1007040
CIF file	Formula: - Ho O14 P5 - Comments: Bagieu, M; Tordjman, I; Durif, A; Bassi, G Holmium ultraphosphate, Ho P~5~ O~14~ Crystal Structure Communications 2 (1973) 387-390 Space group: C 1 2/c 1 Cell volume: 2043.2 Cell parameters: 12.881; 12.771; 12.424; 90; 91.34; 90;

COD ID: 1007041
CIF file	Formula: - Cd Cr4 H12 N2 O16 - Comments: Blum, D; Durif, A; Guitel, J C Structure du dichromate de cadmium et d'ammonium dihydrate: Cd (N H~4~)~2~ (Cr~2~ O~7~)~2~ (H~2~ O)~2~ Acta Crystallographica B (24,1968-38,1982) 36 (1980) 137-139 Space group: C 1 2/c 1 Cell volume: 1599 Cell parameters: 14.48; 6.974; 15.86; 90; 93.25; 90;

COD ID: 1007060
CIF file	Formula: - Cu2 O12 P4 - Comments: Laugt, M; Durif, A Etude systematique des phosphates condenses Seminaire de Chimie de l'Etat Solide 1971-72 1972 (1972) 157-175 Space group: C 1 2/c 1 Cell volume: 854.2 Cell parameters: 12.562; 8.088; 9.574; 90; 118.58; 90;

COD ID: 1007095
CIF file	Formula: - O6 P2 Zn - Comments: Averbuch-Pouchot, M T; Durif, A; Bagieu-Beucher, M Structure d'un Polyphosphate de Zinc, Zn (P O~3~)~2~ Acta Crystallographica C (39,1983-) 39 (1983) 25-26 Space group: C 1 2/c 1 Cell volume: 407.3 Cell parameters: 9.734; 8.889; 4.963; 90; 108.49; 90;

COD ID: 1007097
CIF file	Formula: - H Na3 O4.5 P - Comments: Averbuch-Pouchot, M T; Durif, A Crystal Structure of Na~3~ P O~4~ (H~2~ O)~.5~ Journal of Solid State Chemistry 46 (1983) 193-196 Space group: C 1 2/c 1 Cell volume: 862.2 Cell parameters: 9.631; 5.416; 16.938; 90; 102.6; 90;

COD ID: 1007152
CIF file	Formula: - H10 Li4 O17 P4 - Comments: Averbuch-Pouchot, M T; Durif, A Structure of Tetralithium Tetrametaphosphate Pentahydrate Acta Crystallographica C (39,1983-) 42 (1986) 129-131 Space group: C 1 2/c 1 Cell volume: 3133.8 Cell parameters: 17.073; 17.029; 13.554; 90; 127.32; 90;

COD ID: 1007159
CIF file	Formula: - H10 Li4 O17 P4 - Comments: Averbuch-Pouchot, M T; Durif, A Structure of tetralithium tetrametaphosphate pentahydrate. Acta Crystallographica C (39,1983-) 42 (1986) 129-131 Space group: C 1 2/c 1 Cell volume: 3133.8 Cell parameters: 17.073; 17.029; 13.554; 90; 127.32; 90;

COD ID: 1007167
CIF file	Formula: - H10 K4 O20 P4 Te - Comments: Averbuch-Pouchot, M T; Durif, A Structure of a new adduct between telluric acid and a condensed phosphate: K~4~ P~4~ O~12~ * Te (O H)~6~ * ~2~ H~2~ O. Acta Crystallographica C (39,1983-) 43 (1987) 1245-1247 Space group: C 1 2/c 1 Cell volume: 1882.7 Cell parameters: 9.731; 11.43; 17.16; 90; 99.45; 90;

COD ID: 1007168
CIF file	Formula: - H6 K3 Na3 O24 P6 Te - Comments: Averbuch-Pouchot, M T; Durif, A Crystal structure of a new adduct between telluric acid and alkali cyclo-triphosphates: Te (O H)~6~ * Na~3~ P~3~ O~9~ * K~3~ P~3~ O~9~. Acta Crystallographica C (39,1983-) 43 (1987) 1653-1655 Space group: C 1 2/c 1 Cell volume: 2101.7 Cell parameters: 18.42; 10.644; 12.348; 90; 119.76; 90;

COD ID: 1007188

CIF file

Formula: - C2 H14 N4 O8 Te -
Comments: Averbuch-Pouchot, M.-T.; Durif, A. Determination des liaisons hydrogene dans le compose d'addition uree- acide tellurique: Te(OH)~6~(CO(NH~2~)~2~)~2~ Comptes Rendus des Seances de l'Academie des Sciences, Serie 2: Mecanique-Physique, Chimie, Sciences de l'Univers, Sciences de la Terre 309 (1989) 25-28
Space group: C 1 2/c 1
Cell volume: 1022.5
Cell parameters: 14.815; 8.882; 10.02; 90; 129.15; 90;

COD ID: 1007199
CIF file	Formula: - Ba3 H16 O26 P6 - Comments: Rzaigui, M; Averbuch-Pouchot, M; Durif, A Crystal chemistry of cyclo-hexaphosphates. XIX. Structure of barium cyclo-hexaphosphate octahydrate Acta Crystallographica C (39,1983-) 48 (1992) 241-243 Space group: C 1 2/c 1 Cell volume: 2300.1 Cell parameters: 20.98; 7.227; 17.44; 90; 119.56; 90;

COD ID: 1007211
CIF file	Formula: - Cs2 H2 O7 P2 - Comments: Averbuch-Pouchot, M - T; Durif, A Synthese et structure cristalline du dihydrogenodiphosphate de caesium Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993) 316 (1993) 41-46 Space group: C 1 2/c 1 Cell volume: 824.7 Cell parameters: 7.977; 9.064; 11.406; 90; 90.29; 90;

COD ID: 1007213
CIF file	Formula: - Be2 O10 P3 Rb - Comments: Averbuch-Pouchot, M - T; Durif, A Preparation chimique et etude structurale d'un nouveau triphosphate: Be~2~RbP~3~O~10~ Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993) 316 (1993) 609-614 Space group: C 1 2/c 1 Cell volume: 838.9 Cell parameters: 12.177; 8.703; 8.91; 90; 117.32; 90;

COD ID: 1007223
CIF file	Formula: - Cs2 H8 O13 P2 Te - Comments: Averbuch-Pouchot, M - T; Durif, A Cs~2~H~2~P~2~O~7~.Te(OH)~6~, a new adduct between a diphosphate andtelluric acid European Journal of Solid State Inorganic Chemistry 30 (1993) 1153-1162 Space group: C 1 2/c 1 Cell volume: 2741.9 Cell parameters: 20.518; 8.372; 16.652; 90; 106.55; 90;

COD ID: 1007259
CIF file	Formula: - H24 N4 Na O14 P3 - Comments: Averbuch-Pouchot, M T; Durif, A Structure of tetraammonium monosodium triphosphate tetrahydrate Acta Crystallographica C (39,1983-) 41 (1985) 1553-1555 Space group: C 1 2/c 1 Cell volume: 1679.2 Cell parameters: 11.813; 7.292; 20.2; 90; 105.19; 90;

COD ID: 1007260
CIF file	Formula: - Ba3 Bi2 O16 P4 - Comments: Masse, R; Durif, A Structure of tribarium dibismuth tetrakis(phosphate) Acta Crystallographica C (39,1983-) 41 (1985) 1717-1718 Space group: C 1 2/c 1 Cell volume: 1459.9 Cell parameters: 20.29799; 8.73; 8.766; 90; 109.98; 90;

COD ID: 1007261
CIF file	Formula: - H8 Hg N2 Na2 O18 P6 - Comments: Averbuch-Pouchot, M T; Durif, A Structure of diammonium disodium mercury(II) trimetaphosphate Acta Crystallographica C (39,1983-) 42 (1986) 932-933 Space group: C 1 2/c 1 Cell volume: 1625.7 Cell parameters: 13.524; 8.362; 14.39; 90; 92.58; 90;

COD ID: 1008013
CIF file	Formula: - Fe H4 O11 P3 - Comments: Averbuch, M T; Guitel, J C Un tripolyphosphate acide de fer Fe H~2~ P~3~ O~10~ . H~2~ O Acta Crystallographica B (24,1968-38,1982) 33 (1977) 1613-1615 Space group: C 1 2/c 1 Cell volume: 883.5 Cell parameters: 12.076; 8.443; 9.352; 90; 112.1; 90;

COD ID: 1008071
CIF file	Formula: - I4 U - Comments: Levy, J H; Taylor, J C; Waugh, A B Crystal Structure of Uranium(IV) Tetraiodide by X-ray and Neutron Diffraction Inorganic Chemistry 19 (1980) 672-674 Space group: C 1 2/c 1 Cell volume: 888.6 Cell parameters: 13.967; 8.472; 7.51; 90; 90.54; 90;

COD ID: 1008123
CIF file	Formula: - C2 H8 F4 N4 O3 Sb2 - Comments: Bourgault, M; Fourcade, R; Mascherpa, G Mise en evidence de l'entite Sb~2~ F~4~ O dans un compose d'addition moleculaire avec l'uree etude structurale de ((N H~2~)~2~ C O)~2~ Sb~2~ F~4~ O Journal of Solid State Chemistry 36 (1981) 214-220 Space group: C 1 2/c 1 Cell volume: 2076.9 Cell parameters: 19.98; 8.152; 15.089; 90; 122.32; 90;

COD ID: 1008169
CIF file	Formula: - Ba Cr2 O7 - Comments: Blum, D.; Averbuch-Pouchot, M. T.; Guitel, J. C. Structure du Dichromate de Baryum, Form α Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 35(11) (1979) 2685-2687 Space group: C 1 2/c 1 Cell volume: 2563.9 Cell parameters: 16.31; 16.67; 9.474; 90; 95.53; 90;

COD ID: 1008199
CIF file	Formula: - Li2 O3 Sn - Comments: Hodeau, J L; Marezio, M; Santoro, A; Roth, R S Neutron Profile Refinement of the Structures of Li~2~ Sn O~3~ and Li~2~ Zr O~3~ Journal of Solid State Chemistry 45 (1982) 170-179 Space group: C 1 2/c 1 Cell volume: 479.2 Cell parameters: 5.2889; 9.1872; 10.026; 90; 100.348; 90;

COD ID: 1008200
CIF file	Formula: - Li2 O3 Zr - Comments: Hodeau, J L; Marezio, M; Santoro, A; Roth, R S Neutron Profile Refinement of the Structures of Li~2~ Sn O~3~ and Li~2~ Zr O~3~ Journal of Solid State Chemistry 45 (1982) 170-179 Space group: C 1 2/c 1 Cell volume: 244.5 Cell parameters: 5.4218; 9.0216; 5.4187; 90; 112.709; 90;

COD ID: 1008338
CIF file	Formula: - Fe K S2 - Comments: Bronger, W; Kyas, A; Muller, P The antiferromagnetic structures of K Fe S~2~, Rb Fe S~2~, K Fe Se~2~, and Rb Fe Se~2~ and the correlation between magnetic moments and crystal field calculations Journal of Solid State Chemistry 70 (1987) 262-270 Space group: C 1 2/c 1 Cell volume: 397 Cell parameters: 7.084; 11.303; 5.394; 90; 113.2; 90;

COD ID: 1008339
CIF file	Formula: - Fe Rb S2 - Comments: Bronger, W; Kyas, A; Muller, P The antiferromagnetic structures of K Fe S~2~, Rb Fe S~2~, K Fe Se~2~, and Rb Fe Se~2~ and the correlation between magnetic moments and crystal field calculations Journal of Solid State Chemistry 70 (1987) 262-270 Space group: C 1 2/c 1 Cell volume: 426.4 Cell parameters: 7.223; 11.725; 5.43; 90; 112; 90;

COD ID: 1008340
CIF file	Formula: - Fe K S2 - Comments: Bronger, W; Kyas, A; Muller, P The antiferromagnetic structures of K Fe S~2~, Rb Fe S~2~, K Fe Se~2~, and Rb Fe Se~2~ and the correlation between magnetic moments and crystal field calculations Journal of Solid State Chemistry 70 (1987) 262-270 Space group: C 1 2/c 1 Cell volume: 389.6 Cell parameters: 7.028; 11.201; 5.388; 90; 113.3; 90;

COD ID: 1008341
CIF file	Formula: - Fe Rb S2 - Comments: Bronger, W; Kyas, A; Muller, P The antiferromagnetic structures of K Fe S~2~, Rb Fe S~2~, K Fe Se~2~, and Rb Fe Se~2~ and the correlation between magnetic moments and crystal field calculations Journal of Solid State Chemistry 70 (1987) 262-270 Space group: C 1 2/c 1 Cell volume: 431 Cell parameters: 7.245; 11.762; 5.455; 90; 112; 90;

COD ID: 1008342
CIF file	Formula: - Fe Rb S2 - Comments: Bronger, W; Kyas, A; Muller, P The antiferromagnetic structures of K Fe S~2~, Rb Fe S~2~, K Fe Se~2~, and Rb Fe Se~2~ and the correlation between magnetic moments and crystal field calculations Journal of Solid State Chemistry 70 (1987) 262-270 Space group: C 1 2/c 1 Cell volume: 420.3 Cell parameters: 7.189; 11.619; 5.435; 90; 112.2; 90;

COD ID: 1008370
CIF file	Formula: - H8 Mo N2 O9 P2 - Comments: Averbuch-Pouchot, M T Structure of an ammonium molybdenyl diphosphate (N H~4~)~2~ Mo O~2~ P~2~ O~7~ Acta Crystallographica C (39,1983-) 44 (1988) 2046-2048 Space group: C 1 2/c 1 Cell volume: 1811.2 Cell parameters: 13.984; 8.297; 15.81; 90; 99.11; 90;

COD ID: 1008371
CIF file	Formula: - Bi2 O13 P4 - Comments: Bagieu-Beucher, M; Averbuch-Pouchot, M-T Crystal data and crystal structure of bismuth tetraphosphate Bi~2~ P~4~ O~13~ Zeitschrift fuer Kristallographie (149,1979-) 180 (1987) 165-170 Space group: C 1 2/c 1 Cell volume: 1049.3 Cell parameters: 11.977; 6.878; 13.285; 90; 106.5; 90;

COD ID: 1008380
CIF file	Formula: - Ba2 Ca Cr2 Cu F14 - Comments: Qiang, X; Darriet, J; Tressaud, A; Soubeyroux, J L; Hagenmuller, P New heteronuclear trimers in fluorides with Usovite-type structure Materials Research Bulletin 23 (1988) 637-645 Space group: C 1 2/c 1 Cell volume: 1071.9 Cell parameters: 13.724; 5.314; 14.702; 90; 91.47; 90;

COD ID: 1008381
CIF file	Formula: - Ba2 Ca Cu F14 Fe2 - Comments: Qiang, X; Darriet, J; Tressaud, A; Soubeyroux, J L; Hagenmuller, P New heteronuclear trimers in fluorides with Usovite-type structure Materials Research Bulletin 23 (1988) 637-645 Space group: C 1 2/c 1 Cell volume: 1092.3 Cell parameters: 13.748; 5.366; 14.811; 90; 91.47; 90;

COD ID: 1008492

CIF file

Formula: - Ba2 Ca1.072 Co0.928 F14 Fe2 -
Comments: Le Lirzin, A; Quiang, X; Darriet, J; Soubeyroux, J L; Kaiser, V; Pebler, J; Babel, D Structural and magnetic properties of 1D bimetallic chains in Ba~2~CaCoFe~2~F~14~ and Ba~2~CaCoCr~2~F~14~ European Journal of Solid State Inorganic Chemistry 27 (1990) 791-803
Space group: C 1 2/c 1
Cell volume: 1106.8
Cell parameters: 13.773; 5.384; 14.929; 90; 91.27; 90;

COD ID: 1008493

CIF file

Formula: - Ba2 Ca1.17 Co0.83 F14 Fe2 -
Comments: Le Lirzin, A; Quiang, X; Darriet, J; Soubeyroux, J L; Kaiser, V; Pebler, J; Babel, D Structural and magnetic properties of 1D bimetallic chains in Ba~2~CaCoFe~2~F~14~ and Ba~2~CaCoCr~2~F~14~ European Journal of Solid State Inorganic Chemistry 27 (1990) 791-803
Space group: C 1 2/c 1
Cell volume: 1112.7
Cell parameters: 13.78; 5.395; 14.97; 90; 91.22; 90;

COD ID: 1008498
CIF file	Formula: - Cu O6 Pt Sr3 - Comments: Hodeau, J L; Tu, H Y; Bordet, P; Fournier, T; Strobel, P; Marezio, M; Chandrashekhar, G V Structure and twinning of Sr~3~CuPtO~6~ Acta Crystallographica B (39,1983-) 48 (1992) 1-11 Space group: C 1 2/c 1 Cell volume: 605.1 Cell parameters: 9.317; 9.72; 6.685; 90; 91.95; 90;

COD ID: 1008509
CIF file	Formula: - Fe2 Na3 O12 P3 - Comments: Fanjat, N; Soubeyroux, J L Powder neutron diffraction study of Fe~2~Na~3~(P O~4~)~3~ in the low temperature phase Journal of Magnetism and Magnetic Materials 104 (1992) 933-934 Space group: C 1 2/c 1 Cell volume: 940.1 Cell parameters: 15.07; 8.74; 8.724; 90; 125.1; 90;

COD ID: 1008553
CIF file	Formula: - Fe4 H3 O15 P3 - Comments: Malaman, M; Ijjaali, M; Venturini, G; Gleitzer, C; Soubeyroux, J L Neutron diffraction study of Fe~4~(PO~4~)~3~(OH)~3~: occurrence of ferromagnetic Fe~2~O~9~ clusters European Journal of Solid State Inorganic Chemistry 28 (1991) 519-531 Space group: C 1 2/c 1 Cell volume: 1053 Cell parameters: 19.58; 7.388; 7.451; 90; 102.32; 90;

COD ID: 1008570
CIF file	Formula: - Al2 Ba2 Cu F14 Mn - Comments: le Lirzin, A; Soubeyroux, J L; Tressaud, A; Georges, R; Darriet, J Systemes magnetiques de basse dimensionnalite dans des fluorures de type usovite et jarlite Journal de Chimie Physique et de Physico-Chimie Biologique 88 (1991) 2173-2189 Space group: C 1 2/c 1 Cell volume: 1020 Cell parameters: 13.663; 5.213; 14.326; 90; 91.49; 90;

COD ID: 1008571
CIF file	Formula: - Al2 Ba2 Co F14 Mn - Comments: le Lirzin, A; Soubeyroux, J L; Tressaud, A; Georges, R; Darriet, J Systemes magnetiques de basse dimensionnalite dans des fluorures de type usovite et jarlite Journal de Chimie Physique et de Physico-Chimie Biologique 88 (1991) 2173-2189 Space group: C 1 2/c 1 Cell volume: 1022.1 Cell parameters: 13.658; 5.205; 14.38; 90; 91.08; 90;

COD ID: 1008574
CIF file	Formula: - F4 H2 Mn O Tl - Comments: Nunez, P; Tressaud, A; Hahn, F; Massa, W; Babel, D; Boireau, A; Soubeyroux, J L A new 1D-antiferromagnet: crystal and magnetic structures of TlMnF~4~.H~2~O Physica Status Solidi, Sectio A: Applied Research 127 (1991) 505-517 Space group: C 1 2/c 1 Cell volume: 935.9 Cell parameters: 13.784; 6.631; 10.537; 90; 103.66; 90;

COD ID: 1008575
CIF file	Formula: - F4 H2 Mn O Tl - Comments: Nunez, P; Tressaud, A; Hahn, F; Massa, W; Babel, D; Boireau, A; Soubeyroux, J L A new 1D-antiferromagnet: crystal and magnetic structures of TlMnF~4~.H~2~O Physica Status Solidi, Sectio A: Applied Research 127 (1991) 505-517 Space group: C 1 2/c 1 Cell volume: 911.3 Cell parameters: 13.6775; 6.5865; 10.389; 90; 103.176; 90;

COD ID: 1008576
CIF file	Formula: - F4 H2 Mn O Rb - Comments: Nunez, P; Tressaud, A; Hahn, F; Massa, W; Babel, D; Boireau, A; Soubeyroux, J L A new 1D-antiferromagnet: crystal and magnetic structures of TlMnF~4~.H~2~O Physica Status Solidi, Sectio A: Applied Research 127 (1991) 505-517 Space group: C 1 2/c 1 Cell volume: 905.3 Cell parameters: 13.838; 6.429; 10.486; 90; 103.97; 90;

COD ID: 1008663
CIF file	Formula: - H16.48 Li6 O26.24 P6 - Comments: Rzaigui, M; Bagieu, M Synthesis and crystal structure of the lithium cyclohexaphosphate hydrate Li~6~P~6~O~18~ . 9H~2~O Journal of Solid State Chemistry 108 (1994) 11-17 Space group: C 1 2/c 1 Cell volume: 2351.1 Cell parameters: 15.429; 11.794; 14.369; 90; 115.95; 90;

COD ID: 1008695
CIF file	Formula: - Fe K S2 - Comments: Bronger, W; Kyas, A; Muller, P The antiferromagnetic structures of K Fe S2, Rb Fe S2, K Fe Se2, and Rb Fe Se2 and the correlation between magnetic moments and crystal field calculations Journal of Solid State Chemistry 70 (1987) 262-270 Space group: C 1 2/c 1 Cell volume: 398.4 Cell parameters: 7.082; 11.329; 5.403; 90; 113.2; 90;

COD ID: 1008701
CIF file	Formula: - F8 Li Na Yb2 - Comments: Dib, A; Gorius, F; Aleonard, S Structure cristalline de Na Li Yb2 F8: Composes isotypes Journal of Solid State Chemistry 65 (1986) 205-214 Space group: C 1 2/c 1 Cell volume: 591.9 Cell parameters: 10.3516; 8.2069; 6.9674; 90; 90; 90;

COD ID: 1008812

CIF file

Formula: - B4 H20 Na2 O17 -
Comments: Levy, H. A.; Lisensky, G. C. Crystal structures of sodium sulfate decahydrate (Glauber's salt) and sodium tetraborate decahydrate (borax). Redetermination by neutron diffraction Note: anisoU's from ICSD Acta Crystallographica, Section B 34 (1978) 3502-3510
Space group: C 1 2/c 1
Cell volume: 1481
Cell parameters: 11.885; 10.654; 12.206; 90; 106.623; 90;

COD ID: 1008866
CIF file	Formula: - Al Co F7 Na2 - Comments: Boireau, A; Gravereau, P; Dance, J M; Tressaud, A; Hagenmuller, P; Soubeyroux, J L; Welsch, M; Babel, D Structural and magnetic properties of several cobalt(II) weberites Materials Research Bulletin 28 (1993) 27-38 Space group: C 1 2/c 1 Cell volume: 2113.1 Cell parameters: 12.378; 7.21; 24.019; 90; 99.67; 90;

COD ID: 1008894
CIF file	Formula: - Ce3 I S8 Si2 - Comments: Gauthier, G; Kawasaki, S; Jobic, S; Macaudiere, P; Brec, R; Rouxel, J Synthesis and structure of the first cerium iodothiosilicate: Ce3 (Si S4)2 I Journal of Alloys Compd. 275 (1998) 46-49 Space group: C 1 2/c 1 Cell volume: 1348.7 Cell parameters: 15.9634; 7.8502; 10.8664; 90; 97.931; 90;

COD ID: 1008901
CIF file	Formula: - Ce3 I S8 Si2 - Comments: Gauthier, G; Kawasaki, S; Jobic, S; Macaudiere, P; Brec, R; Rouxel, J Characterization of Ce3 (Si S4)2 I, a compound with a new structure type Journal of Materials Chemistry 8(1) (1998) 179-186 Space group: C 1 2/c 1 Cell volume: 1348.7 Cell parameters: 15.9634; 7.8502; 10.8664; 90; 97.931; 90;

COD ID: 1008946
CIF file	Formula: - K Li O6 P2 - Comments: El Horr, N; Bagieu, M Structure de la forme de haute temperature du polyphosphate de lithium et de potassium: Li K (P O3)2 Acta Crystallographica C (39,1983-) 41 (1985) 1157-1159 Space group: C 1 2/c 1 Cell volume: 2254.8 Cell parameters: 13.753; 13.818; 11.865; 90; 90.34; 90;

COD ID: 1010320
CIF file	Formula: - C4 H8 Ba N4 Ni O4 - Comments: Brasseur, H.; de Rassenfosse, A. Structure cristalline des cyanures doubles de baryum a base de platine, de palladium et de nickel Bulletin de la Societe Francaise de Mineralogie 61 (1938) 129-136 Space group: C 1 2/c 1 Cell volume: 1011.7 Cell parameters: 11.71; 13.48; 6.63; 90; 104.83; 90;

COD ID: 1010703
CIF file	Formula: - As Ca F Mg O4 - Comments: Strunz, H Titanit und Tilasit. Ueber die Verwandtschaft der Silikate mit den Phosphaten und Arsenaten Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 96 (1937) 7-14 Space group: C 1 2/c 1 Cell volume: 386.3 Cell parameters: 6.66; 8.95; 7.56; 90; 121; 90;

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: 1010847
CIF file	Formula: - H16 O12 S Sm - Comments: Zachariasen, W H Note on the Crystal Lattice of Samarium Sulphate Octo-Hydrate Journal of Chemical Physics 3 (1935) 197-198 Space group: C 1 2/c 1 Cell volume: 1634.8 Cell parameters: 20.3; 6.76; 13.53; 90; 118.3; 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: 1010981
CIF file	Formula: - Ca H4 O6 S - Comments: Wooster, W A On the crystal structure of gypsum Ca S O4 (H2 O)2 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 94 (1936) 375-396 Space group: C 1 2/c 1 Cell volume: 491.9 Cell parameters: 10.47; 15.15; 6.51; 90; 151.55; 90;

COD ID: 1011015
CIF file	Formula: - Al2 H8 Mg5 O18 Si3 - Comments: McMurchy, G C The Crystal Structure of the Chlorite Minerals. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 88 (1934) 420-432 Space group: C 1 2/c 1 Cell volume: 1378.5 Cell parameters: 5.305; 9.189; 28.5; 90; 97.147; 90;

COD ID: 1011040
CIF file	Formula: - Al As F Na O4 - Comments: Kokkoros, P. Ueber die Struktur des Durangit NaAlF(AsO~4~) Zeitschrift für Kristallographie - Crystalline Materials 99(1-6) (1938) 38-49 Space group: C 1 2/c 1 Cell volume: 349.8 Cell parameters: 6.53; 8.46; 7; 90; 115.22; 90;

COD ID: 1011047
CIF file	Formula: - Ca Mg O6 Si2 - Comments: Warren, B E; Biscoe, J The Crystal Structure of monoclinic pyroxenes Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 80 (1931) 391-401 Space group: C 1 2/c 1 Cell volume: 435.2 Cell parameters: 9.71; 8.89; 5.24; 90; 74.17; 90;

COD ID: 1011049
CIF file	Formula: - Al3 H2 K O12 Si3 - Comments: Jackson, W. W.; West, J. The crystal structure of Muscovite - KAl~2~(AlSi~3~)O~10~(OH)~2~ Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie 76 (1931) 211-227 Space group: C 1 2/c 1 Cell volume: 932 Cell parameters: 5.18; 9.02; 20.03999; 90; 95.5; 90;

COD ID: 1011057
CIF file	Formula: - Ca Mg O6 Si2 - Comments: Warren, B; Bragg, W L The structure of diopside, Ca Mg (Si O3)2. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 69 (1928) 168-193 Space group: C 1 2/c 1 Cell volume: 435.2 Cell parameters: 9.71; 8.89; 5.24; 90; 74.16; 90;

COD ID: 1011148
CIF file	Formula: - Cu O - Comments: Tunell, G; Posnjak, E; Ksanda, C J Geometrical and optical properties, and crystal structure of tenorite Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 90 (1935) 120-142 Space group: C 1 2/c 1 Cell volume: 79.9 Cell parameters: 4.653; 3.41; 5.108; 90; 99.48; 90;

COD ID: 1011152
CIF file	Formula: - H2 Mg3 O12 Si4 - Comments: Gruner, J W The crystal structures of talc and pyrophyllite. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 88 (1934) 412-419 Space group: C 1 2/c 1 Cell volume: 886.5 Cell parameters: 5.26; 9.1; 18.81; 90; 100.08; 90;

COD ID: 1011153
CIF file	Formula: - Al2 H2 O12 Si4 - Comments: Gruner, J W The crystal structures of talc and pyrophyllite. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 88 (1934) 412-419 Space group: C 1 2/c 1 Cell volume: 835.9 Cell parameters: 5.14; 8.9; 18.54999; 90; 99.92; 90;

COD ID: 1011191
CIF file	Formula: - Al Li O6 Si2 - Comments: Warren, B E; Biscoe, J The crystal structure of monoclinic pyroxenes Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 80 (1931) 391-401 Space group: C 1 2/c 1 Cell volume: 387.4 Cell parameters: 9.5; 8.3; 5.24; 90; 69.67; 90;

COD ID: 1011194
CIF file	Formula: - Cu O - Comments: Niggli, P Die Kristallstruktur einiger Oxyde I. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 57 (1922) 253-299 Space group: C 1 2/c 1 Cell volume: 80.9 Cell parameters: 4.67; 3.43; 5.12; 90; 99.53; 90;

COD ID: 1100007
CIF file	Formula: - Al2.873 F0.256 H1.744 K0.894 O11.744 Si2.829 - Comments: Liang, J-J; Hawthorne, F C Rietveld refinement of micaceous materials: muscovite-2M1, a comparison with single-crystal structure refinement Canadian Mineralogist 34 (1996) 115-122 Space group: C 1 2/c 1 Cell volume: 930.3 Cell parameters: 5.18; 8.993; 20.06898; 90; 95.69; 90;

COD ID: 1100008
CIF file	Formula: - Al2.905 F0.256 H1.744 K0.86 O11.744 Si2.895 - Comments: Liang, J-J; Hawthorne, F C Rietveld refinement of micaceous materials: muscovite-2M1, a comparison with single-crystal structure refinement Canadian Mineralogist 34 (1996) 115-122 Space group: C 1 2/c 1 Cell volume: 929.1 Cell parameters: 5.1765; 8.9872; 20.07199; 90; 95.756; 90;

COD ID: 1100009
CIF file	Formula: - Al2.91 F0.256 H1.744 K0.94 O11.744 Si2.85 - Comments: Liang, J-J; Hawthorne, F C Rietveld refinement of micaceous materials: muscovite-2M1, a comparison with single-crystal structure refinement Canadian Mineralogist 34 (1996) 115-122 Space group: C 1 2/c 1 Cell volume: 931.2 Cell parameters: 5.1805; 8.994; 20.086; 90; 95.74; 90;

COD ID: 1100010
CIF file	Formula: - Al2.88 Fe0.12 H2 K O12 Si3 - Comments: Birle, J D; Tettenhorst, R Refined Muscovite structure Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968) 36 (1968) 883-886 Space group: C 1 2/c 1 Cell volume: 935.2 Cell parameters: 5.194; 8.996; 20.09599; 90; 95.18; 90;

COD ID: 1100011
CIF file	Formula: - Al3 H2 K O12 Si3 - Comments: Richardson, S M; Richardson, J W jr. Crystal structure of a pink Muskovite from Archer's post, Kenya: implications for reverse pleochroism in dioctahedral micas American Mineralogist 67 (1982) 69-75 Space group: C 1 2/c 1 Cell volume: 938.9 Cell parameters: 5.1998; 9.0266; 20.10579; 90; 95.782; 90;

COD ID: 1100012
CIF file	Formula: - Al3 H2 K O12 Si3 - Comments: Radoslovich, E W The Structure of Muscovite, K Al2 (Si3 Al) O10 (O H)2 Acta Crystallographica (1,1948-23,1967) 13 (1960) 919-932 Space group: C 1 2/c 1 Cell volume: 934.3 Cell parameters: 5.189; 8.996; 20.09599; 90; 95.18; 90;

COD ID: 1100018
CIF file	Formula: - Ca0.8 Mg O6 Si2 Sr0.2 - Comments: Benna, P; Chiari, G; Bruno, E Mineralogy and Petrology 36 (1987) 71-84 Space group: C 1 2/c 1 Cell volume: 442.9 Cell parameters: 9.758; 8.973; 5.253; 90; 105.67; 90;

COD ID: 1100045
CIF file	Formula: - Al B2 Li O5 - Comments: He, M; Chen, X; Lan, Y; Li, H; Xu, Y Ab initio structure determination of new compound LiAlB~2~O~5~ Journal of Solid State Chemistry 156 (2001) 181-184 Space group: C 1 2/c 1 Cell volume: 807.39 Cell parameters: 9.9096; 10.0634; 9.3552; 90; 120.068; 90;

COD ID: 1100087
CIF file	Formula: - H2 Mg O5 S - Comments: Bregeault, J M; Herpin, P; Manoli, J M; Pannetier, G Affinement de la structure de la Kieserite Mg (S O4) (H2 O) Bulletin de la Societe Chimique de France (Vol=Year) 1970 (1970) 4243-4248 Space group: C 1 2/c 1 Cell volume: 355.7 Cell parameters: 6.891; 7.624; 7.645; 90; 117.683; 90;

COD ID: 1100088
CIF file	Formula: - H2 Mg O5 S - Comments: Leonhardt, J; Weiss, R Das Kristallgitter des Kieserits Mg S O4 H2 O Naturwissenschaften 44 (1957) 338-339 Space group: C 1 2/c 1 Cell volume: 353.9 Cell parameters: 6.886; 7.61; 7.63; 90; 117.72; 90;

COD ID: 1100092
CIF file	Formula: ? Comments: Bregeault, J M; Herpin, P; Coing-Boyat, J Bulletin de la Societe Chimique de France (Vol=Year) 1972 (1972) 2247-2250 Space group: C 1 2/c 1 Cell volume: 355.7 Cell parameters: 6.891; 7.624; 7.645; 90; 117.68; 90;

COD ID: 1100093
CIF file	Formula: ? Comments: Coing-Boyat, J Bulletin de la Societe Chimique de France (Vol=Year) 1971 (1971) 3863-3865 Space group: C 1 2/c 1 Cell volume: 355.7 Cell parameters: 6.891; 7.624; 7.549; 90; 116.25; 90;

COD ID: 1100094
CIF file	Formula: ? Comments: Hawthorne, F C; Groat, L A; Raudsepp, M; Ercit, T S Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-) 157 (1987) 121-132 Space group: C 1 2/c 1 Cell volume: 355.6 Cell parameters: 6.891; 7.624; 7.645; 90; 117.7; 90;

COD ID: 1100100
CIF file	Formula: ? Comments: Zalkin, A.; Ruben, H.; Templeton, D. H. The crystal structure and hydrogen bonding of magnesium sulfate hexahydrate Acta Crystallographica (1,1948-23,1967) 17(3) (1964) 235-240 Space group: C 1 2/c 1 Cell volume: 1761.2 Cell parameters: 10.11; 7.212; 24.40999; 90; 98.3; 90;

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: 1100134

CIF file

Formula: - C18 H22 Cu N2 O6 -
Comments: Carballo, Rosa; Vázquez-López, Ezequiel M.; Covelo, Berta; Castiñeiras, Alfonso Coordination polymers of Copper(II) based on mixed N- and O-donor ligands: The crystal structures of [CuL~2~(4,4'-bipy)]~n~ (L = lactate or 2-methyllactate)' Polyhedron 20(9-10) (2001) 899-904
Space group: C 1 2/c 1
Cell volume: 1868.8
Cell parameters: 16.514; 11.1559; 11.2834; 90; 115.974; 90;

COD ID: 1100145
CIF file	Formula: - C14 H16 Cu N10 O12 - Comments: Esther R. Acuna-Cueva; Rene Faure; Nuria A. Illan-Cabeza; Sonia B. Jimenez-Pulido; Miguel N. Moreno-Carretero; Miguel Quiros Inorganica Chimica Acta 342 (2003) 209-218 Space group: C 1 2/c 1 Cell volume: 2116.7 Cell parameters: 15.1701; 8.0805; 17.7233; 90; 103.022; 90;

COD ID: 1100151

CIF file

Formula: - C20 H26 Cu N2 O8 -
Comments: Carballo, Rosa; Covelo, Berta; VVázquez-López, Ezequiel M.; Castiñeiras, Alfonso; Niclos, Juan Synthesis and structural characterization of the mixed ligand complex [Cu(HmL)2(phen)].2H2O (H2mL = 2-methyllactic acid) Zeitschrift für Naturforschung B 58(1) (2003) 151-154
Space group: C 1 2/c 1
Cell volume: 6786.5
Cell parameters: 29.437; 10.2477; 24.223; 90; 111.758; 90;

COD ID: 1100152
CIF file	Formula: - C22 H20 Cl2 Cu N16 O10 - Comments: Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas Structure of the adduct of bis(2,2'biimidazole)copper(II) perchlorate with 4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-7-one Journal of Chemical Crystallography 34(8) (2004) 549-552 Space group: C 1 2/c 1 Cell volume: 3028.8 Cell parameters: 19.666; 11.7586; 13.4808; 90; 103.69; 90;

COD ID: 1100164

CIF file

Formula: - C14 H22 N4 Ni O6 -
Comments: Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan 'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole' Polyhedron 23 (2004) 1505-1518
Space group: C 1 2/c 1
Cell volume: 1741.9
Cell parameters: 19.392; 8.477; 11.412; 90; 111.795; 90;

COD ID: 1100166

CIF file

Formula: - C44.75 H32 Ag O2 P2 -
Comments: Norie Momiyama; Hisashi Yamamoto Enantioselective O- and N-Nitroso Aldol Synthesis of Tin Enolates. Isolation of Three BINAP-Silver Complexes and Their Role in Regio- and Enantioselectivity Journal of the American Chemical Society 126 (2004) 5360-5361
Space group: C 1 2/c 1
Cell volume: 3747.4
Cell parameters: 17.417; 21.402; 11.298; 90; 117.15; 90;

COD ID: 1100170
CIF file	Formula: - C34 H30 N14 O12 Pd2 - Comments: Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas Polyhedron 23 (2004) 2373-2379 Space group: C 1 2/c 1 Cell volume: 3800 Cell parameters: 19.688; 14.219; 14.448; 90; 110.02; 90;

COD ID: 1100191

CIF file

Formula: - C32 H78 Ga6 -
Comments: Uhl, Werner; Cuypers, Lars; Geiseler, Gertraud; Harms, Klaus; Neumüller, Bernhard Unexpected formation of gallium‒gallium single bonds by irradiation of the hydride [(Me~3~C)~2~GaH]~3~ Journal of the Chemical Society, Dalton Transactions (issue 16) (2001) 2398-2400
Space group: C 1 2/c 1
Cell volume: 4491.65
Cell parameters: 14.4126; 17.328; 18.359; 90; 101.582; 90;

COD ID: 1100217

CIF file

Formula: - C12 H38 Br2 N8 Ni P2 -
Comments: Krieger, Matthias; Gould, Robert O.; Harms, Klaus; Greiner, Andreas; Dehnicke, Kurt Phosphaniminato- und Phosphanimin-Komplexe von Nickel(II). Die Kristallstrukturen von [Ni(O~3~SCF~3~)(NPMe~3~)]~4~, [Ni~4~Br~5~{NP(NMe~2~)~3~}~3~], [NiBr~2~{HNP(NMe~2~)~3~}~2~] und [Ni(PMePh~2~)~4~] Zeitschrift fuer Anorganische und Allgemeine Chemie 627(4) (2001) 747-754
Space group: C 1 2/c 1
Cell volume: 2388.38
Cell parameters: 18.407; 8.101; 16.072; 90; 94.74; 90;

COD ID: 1100232
CIF file	Formula: - C18 H16 Cd F10 N2 - Comments: Harms, K.; Boche, G.; Marsch, M. Private Communication (2001) Space group: C 1 2/c 1 Cell volume: 2034.37 Cell parameters: 18.11; 7.229; 17.624; 90; 118.15; 90;

COD ID: 1100234
CIF file	Formula: - C16 H23 N O4 - Comments: Harms, K.; Boche, G.; Marsch, M. Private Communication (2001) Space group: C 1 2/c 1 Cell volume: 3354.7 Cell parameters: 29.6297; 8.8309; 12.8246; 90; 91.36; 90;

COD ID: 1100290

CIF file

Formula: - C40 H58 Li2 N4 O2 S2 -
Comments: Marsch, Michael; Massa, Werner; Baum, Gerhard; Boche, Gernot; Harms, Klaus [α-(Phenylsulfinyl)-α-methylbenzyllithium-tetramethylethylenediamine]~2~: Crystal Structure of an α-Sulfinyl "Carbanion" Angewandte Chemie, International Edition in English 25(11) (1986) 1011-1012
Space group: C 1 2/c 1
Cell volume: 8341.94
Cell parameters: 38.55; 12.015; 18.13; 90; 96.59; 90;

COD ID: 1100302
CIF file	Formula: - C19 H22 Cr O5 - Comments: Dötz, Karl Heinz; Erben, Hans-Georg; Harms, Klaus Aminocarbene annulation by alkynes: a regio- and diastereo-selective route to indanone complexes Journal of the Chemical Society, Chemical Communications (issue 11) (1989) 692-693 Space group: C 1 2/c 1 Cell volume: 3738.69 Cell parameters: 22.736; 6.809; 25.373; 90; 107.86; 90;

COD ID: 1100304
CIF file	Formula: - C17 H17 Cr N O6 - Comments: Dötz, Karl Heinz; Grotjahn, Douglas; Harms, Klaus Activated Aminocarbene Complexes of the Fischer Type: Synthesis, Structure, and Annelation Reactions Angewandte Chemie, International Edition in English 28(10) (1989) 1384-1386 Space group: C 1 2/c 1 Cell volume: 3795.1 Cell parameters: 23.355; 11.187; 15.629; 90; 111.66; 90;

COD ID: 1100331
CIF file	Formula: - C17 H17 Cr N O6 - Comments: Grotjahn, D. B.; Kroll, F. E. K.; Schaefer, T.; Harms, K.; Doetz, K. H. Reactions of complex ligands. 45. (Acylamino)carbene complexes: synthesis, structure, and reactivity Organometallics 11(1) (1992) 298-310 Space group: C 1 2/c 1 Cell volume: 3795.1 Cell parameters: 23.355; 11.187; 15.629; 90; 111.66; 90;

COD ID: 1100358

CIF file

Formula: - C15 H37 Li N2 Si2 -
Comments: Boche, Gernot; Fraenkel, Gideon; Cabral, Jose; Harms, Klaus; Van Eikema Hommes, Nicolaas J. R.; Lohrenz, John; Marsch, Michael; Schleyer, Paul v. R. exo,exo-[1,3-Bis(trimethylsilyl)allyl]lithium-N,N,N',N'-tetramethylethylenediamine complex: crystal structure and dynamics in solution Journal of the American Chemical Society 114(5) (1992) 1562-1565
Space group: C 1 2/c 1
Cell volume: 4452.29
Cell parameters: 19.69; 11.788; 19.56; 90; 101.28; 90;

COD ID: 1100361
CIF file	Formula: - C36 H46 N2 O2 Zn2 - Comments: Bolm, Carsten; Schlingloff, Gunther; Harms, Klaus Catalyzed Enantioselective Alkylation of Aldehydes Chemische Berichte 125(5) (1992) 1191-1203 Space group: C 1 2/c 1 Cell volume: 3411.98 Cell parameters: 25.436; 10.255; 14.294; 90; 113.78; 90;

COD ID: 1100415

CIF file

Formula: - C30 H36 V Zr -
Comments: Elschenbroich, Christoph; Schmidt, Eckhardt; Metz, Bernhard; Harms, Klaus Metal π complexes of benzene derivatives. 47. Zircona[1]metallocyclophanes: synthesis, properties, and structure of (tBu-η^5^-C~5~H~4~)~2~Zr(η^1^-1,η^1^-1')(η^6^-C~6~H~5~)~2~V and its chromium analog Organometallics 14(9) (1995) 4043-4045
Space group: C 1 2/c 1
Cell volume: 2361.75
Cell parameters: 16.404; 19.308; 7.53; 90; 98; 90;

COD ID: 1100464

CIF file

Formula: - C10 H12 I N3 -
Comments: Boche, Gernot; Andrews, Phil; Harms, Klaus; Marsch, Michael; Rangappa, Kanchugarakoppal S.; Schimeczek, Michael; Willeke, Christoph Crystal and Electronic Structure of Stable Nitrenium Ions. A Comparison with Structurally Related Carbenes Journal of the American Chemical Society 118 (1996) 4925-4930
Space group: C 1 2/c 1
Cell volume: 2318.78
Cell parameters: 26.993; 5.599; 15.917; 90; 105.44; 90;

COD ID: 1100477

CIF file

Formula: - C36 H30 Cl4 N4 S4 Sb2 -
Comments: Kunkel, Frank; Harms, Klaus; Kang, Hak-Chul; Massa, Werner; Dehnicke, Kurt Über die Reaktion von SbPh~3~ mit S~3~N~2~Cl~2~ Kristallstrukturen von [xxx] und [(Ph~3~SbCl~2~)~2~·S~4~N~4~] / On the Reaction of SbPh~3~ with S~3~N~2~Cl~2~. Crystal Structures of [xxx] and [(Ph~3~SbCl~2~)~2~·S~4~N~4~] Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences 52(2) (1997) 193-198
Space group: C 1 2/c 1
Cell volume: 3985.47
Cell parameters: 15.493; 10.1769; 26.2388; 90; 105.56; 90;

COD ID: 1100492

CIF file

Formula: - C6 H18 As Cl11 N2 P2 Sb2 -
Comments: Garbe, Ralf; Wocadlo, Sigrid; Kang, Hak-Chul; Massa, Werner; Harms, Klaus; Dehnicke, Kurt Phosphaniminato-Komplexe des Arsens. Kristallstrukturen von [AsCl(NPMe~3~)]~2~Cl~2~, [AsCl(NPMe~3~)~2~SbCl~4~]SbCl~6~ und [AsCl(NPMe~3~)~2~SnCl~4~] · CH~3~CN Chemische Berichte 129(1) (1996) 109-113
Space group: C 1 2/c 1
Cell volume: 5380.25
Cell parameters: 26.667; 7.921; 25.604; 90; 95.84; 90;

COD ID: 1100507

CIF file

Formula: - C44 H72 Gd N4 Na O2 Si4 -
Comments: Karl, Marc; Harms, Klaus; Dehnicke, Kurt Synthese und Kristallstrukturen der Natrium-Amido-Metallate [(THF)~2~Na(Ph~2~N)~2~Ln{N(SiMe~3~)~2~}~2~] mit Ln = Gd und Yb Zeitschrift fuer Anorganische und Allgemeine Chemie 625(11) (1999) 1774-1776
Space group: C 1 2/c 1
Cell volume: 5191.11
Cell parameters: 21.359; 15.343; 16.195; 90; 102.01; 90;

COD ID: 1100508

CIF file

Formula: - C44 H72 N4 Na O2 Si4 Yb -
Comments: Karl, Marc; Harms, Klaus; Dehnicke, Kurt Synthese und Kristallstrukturen der Natrium-Amido-Metallate [(THF)~2~Na(Ph~2~N)~2~Ln{N(SiMe~3~)~2~}~2~] mit Ln = Gd und Yb Zeitschrift fuer Anorganische und Allgemeine Chemie 625(11) (1999) 1774-1776
Space group: C 1 2/c 1
Cell volume: 5091.22
Cell parameters: 21.105; 15.303; 16.128; 90; 102.2; 90;

COD ID: 1100511

CIF file

Formula: - C20 H58 Br5 Cl4 Mn4 N12 P3 -
Comments: Riese, Ulrike; Faza, Naim; Massa, Werner; Harms, Klaus; Breyhan, Thees; Knochel, Paul; Ensling, Jürgen; Ksenofontov, Vadim; Gütlich, Philipp; Dehnicke, Kurt Phosphoraneiminato Complexes of Manganese and Cobalt with Heterocubane Structure Zeitschrift fuer Anorganische und Allgemeine Chemie 625(9) (1999) 1494-1499
Space group: C 1 2/c 1
Cell volume: 9748.03
Cell parameters: 38.3836; 10.3026; 24.7228; 90; 94.385; 90;

COD ID: 1100528
CIF file	Formula: - C16 H23 N O4 - Comments: Baskaran, Subramanian; Aurich, Hans Günter; Biesemeier, Frank; Harms, Klaus Effect of the substitution pattern on the oxidation of the isoxazolidine moiety in bi- and tricyclic compounds Tetrahedron 54(40) (1998) 12249-12264 Space group: C 1 2/c 1 Cell volume: 3044.37 Cell parameters: 33.574; 5.649; 17.127; 90; 110.41; 90;

COD ID: 1100532

CIF file

Formula: - C24 H60 Cl4 Fe4 N4 P4 -
Comments: Riese, Ulrike; Harms, Klaus; Pebler, Jürgen; Dehnicke, Kurt Phosphaniminato-Cluster von Eisen. Die Kristallstrukturen von [FeCl(NPEt~3~)]~4~, [Fe(C=C-SiMe~3~)(NPEt~3~)]~4~ und [Fe~3~Cl~4~{NP(NMe~2~)~3~}~3~] Zeitschrift fuer Anorganische und Allgemeine Chemie 625(5) (1999) 746-754
Space group: C 1 2/c 1
Cell volume: 4008.25
Cell parameters: 20.878; 10.9095; 19.5635; 90; 115.904; 90;

COD ID: 1100550
CIF file	Formula: - C24 H66 N4 P2 Si4 Zn2 - Comments: Krieger, M.; Gould, R. O.; Neumüller, B.; Harms, K.; Dehnicke, K. Phosphaniminato-Komplexe des Zinks mit Hydrido-, Alkinylo-, Alkenylo- und Amido-Liganden Zeitschrift fuer Anorganische und Allgemeine Chemie 624(9) (1998) 1434-1442 Space group: C 1 2/c 1 Cell volume: 4150.53 Cell parameters: 21.023; 9.058; 21.817; 90; 92.516; 90;

COD ID: 1100559
CIF file	Formula: - C31 H32 O3 P2 - Comments: Demay, Stéphane; Harms, Klaus; Knochel, Paul Stereoselective preparation of phosphine oxides via a 2,3-sigmatropic shift of allylic diphenylphosphinites Tetrahedron Letters 40(27) (1999) 4981-4984 Space group: C 1 2/c 1 Cell volume: 5352.44 Cell parameters: 14.2265; 22.3013; 17.9123; 90; 109.639; 90;

COD ID: 1100568
CIF file	Formula: - C72 H60 I8 N4 P4 - Comments: Grebe, Jutta; Geiseler, Gertraud; Harms, Klaus; Neumüller, Bernhard; Dehnicke, Kurt Domino Effect in the Buildup of N-I-N-I Chains of the N-Iodine(triphenylphosphane)imine Angewandte Chemie, International Edition 38(1-2) (1999) 222-225 Space group: C 1 2/c 1 Cell volume: 7173.12 Cell parameters: 16.16; 24.931; 17.921; 90; 96.54; 90;

COD ID: 1100576

CIF file

Formula: - C22 H48 Li2 N2 O3 Si -
Comments: Mommertz, Andreas; Leo, Roland; Massa, Werner; Harms, Klaus; Dehnicke, Kurt Synthese eines Titana-Oxacyclohexanringes durch kontrollierte Ringöffnung von Tetrahydrofuran. Kristallstrukturen von [Ti(CH~2~)~4~O{Me~2~Si(NBut)~2~}]~2~, [TiCl{Me~2~Si(NBut)~2~}]~3~(μ~3~-O)(μ~3~-Cl) und [Li~2~(THF)~3~{Me~2~Si(NBut)~2~}] Zeitschrift fuer Anorganische und Allgemeine Chemie 624(10) (1998) 1647-1652
Space group: C 1 2/c 1
Cell volume: 2931.55
Cell parameters: 11.509; 15.5891; 16.4206; 90; 95.697; 90;

COD ID: 1100589

CIF file

Formula: - C24 H32 S -
Comments: Hoffmann, Reinhard W.; Koberstein, Ralf; Harms, Klaus Chiral organometallic reagents. Part XXIII. On the stereochemistry of the carbolithiation reaction of vinyl sulfides Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999) (issue 2) (1999) 183-192
Space group: C 1 2/c 1
Cell volume: 4074.52
Cell parameters: 39.963; 6.056; 18.185; 90; 112.21; 90;

COD ID: 1100613

CIF file

Formula: - C40 H64 Li O6 Sm -
Comments: Anfang, S.; Seybert, G.; Harms, K.; Geiseler, G.; Massa, W.; Dehnicke, K. Reaktionen von LiNPPh~3~ mit den Cyclooctatetraenid-Komplexen [Ln(C~8~H~8~)Cl(THF)~2~]~2~ von Cer und Samarium. Die Kristallstrukturen von [LiNPPh~3~]~6~, [Ln(C~8~H~8~)Li~3~Cl~2~(NPPh~3~)~2~(THF)~3~] (Ln = Ce, Sm) und [Li(THF)~4~][Sm(C~8~H~8~)~2~] Zeitschrift fuer Anorganische und Allgemeine Chemie 624(7) (1998) 1187-1192
Space group: C 1 2/c 1
Cell volume: 4050.49
Cell parameters: 17.7767; 13.1856; 18.0575; 90; 106.869; 90;

COD ID: 1100627

CIF file

Formula: - C24 H60 Br4 Co4 N4 P4 -
Comments: Riese, Ulrike; Harms, Klaus; Neumüller, Bernhard; Dehnicke, Kurt Cobalt(II)-organische Phosphaniminato-Komplexe mit Heterocuban-Struktur. Kristallstrukturen von [CoBr(NPR~3~)]~4~ mit R = Me, Et, [Co(C≡C-CMe3)(NPMe3)]~4~ und [Co(C≡C-SiMe~3~)(NPEt~3~)]~4~ Zeitschrift fuer Anorganische und Allgemeine Chemie 624(8) (1998) 1279-1284
Space group: C 1 2/c 1
Cell volume: 4166.93
Cell parameters: 21.035; 11.112; 19.743; 90; 115.45; 90;

COD ID: 1100657
CIF file	Formula: - C10 H11 N O S - Comments: Kitoh, Soh-ichi; Senda, Hitoshi; Kunimoto, Ko-Ki Crystal Structures of Chiral and Racemic 4-Methyl-5-phenyl-1,3-oxazolidine-2-thione Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x15-x16 Space group: C 1 2/c 1 Cell volume: 1906.7 Cell parameters: 27.238; 6.0517; 11.726; 90; 99.433; 90;

COD ID: 1100667
CIF file	Formula: - C6 H6 Cl2 N2 O4 S2 - Comments: Haramura, Masayuki; Yanaka, Akito; Akimoto, Toshio; Hirayama, Noriaki Crystal Structure of Dichlorphenamide Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x35-x36 Space group: C 1 2/c 1 Cell volume: 2239.5 Cell parameters: 17.202; 7.9139; 16.507; 90; 94.716; 90;

COD ID: 1100675
CIF file	Formula: - C13 H10 N2 O5 - Comments: Doi, Mitsunobu; Ijiri, Yoshio; Akagi, Masao; Uenishi, Miharu; Urata, Hidehito Crystal Structure of 5'-Hydroxythalidomide In Vivo Metabolite of Thalidomide in Humans Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x51-x52 Space group: C 1 2/c 1 Cell volume: 2341.4 Cell parameters: 21.724; 7.9633; 13.6074; 90; 95.924; 90;

COD ID: 1100714
CIF file	Formula: - C108 H156 F24 N16 O32 P4 Zn8 - Comments: Jingwen Chen; Xiaoyong Wang; Yangguang Zhu; Jun Lin; Xiaoliang Yang; Yizhi Li; Yi Lu; Zijian Guo An Asymmetric Dizinc Phosphodiesterase Model with Phenolate and Carboxylate Bridges Inorganic Chemistry 44 (2005) 3422-3430 Space group: C 1 2/c 1 Cell volume: 7311.7 Cell parameters: 23.935; 14.2035; 22.489; 90; 106.99; 90;

COD ID: 1100728
CIF file	Formula: - C34.25 H27 Cl4.5 Hg I2 N4 O2 - Comments: Tara J. Burchell; Richard J. Puddephatt Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium Inorganic Chemistry 44 (2005) 3718-3730 Space group: C 1 2/c 1 Cell volume: 7830 Cell parameters: 20.856; 15.847; 23.865; 90; 96.91; 90;

COD ID: 1100733
CIF file	Formula: - C34 H30 Hg1.5 I3 N4 O4 - Comments: Tara J. Burchell; Richard J. Puddephatt Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium Inorganic Chemistry 44 (2005) 3718-3730 Space group: C 1 2/c 1 Cell volume: 7374 Cell parameters: 34.84; 13.241; 16.423; 90; 103.28; 90;

COD ID: 1100736

CIF file

Formula: - K14 La O158 P4 W34 -
Comments: Cheng Zhang; Robertha C. Howell; Qun-Hui Luo; Heidi L. Fieselmann; Louis J. Todaro; Lynn C. Francesconi Influence of Steric and Electronic Properties of the Defect Site, Lanthanide Ionic Radii, and Solution Conditions on the Composition of Lanthanide(III) α1-P2W17O6110-Polyoxometalates Inorganic Chemistry 44 (2005) 3569-3578
Space group: C 1 2/c 1
Cell volume: 15635
Cell parameters: 41.339; 15.636; 24.988; 90; 104.53; 90;

COD ID: 1100737

CIF file

Formula: - Cl4 H92 K4 Na6 Nd O162 P4 W34 -
Comments: Cheng Zhang; Robertha C. Howell; Qun-Hui Luo; Heidi L. Fieselmann; Louis J. Todaro; Lynn C. Francesconi Influence of Steric and Electronic Properties of the Defect Site, Lanthanide Ionic Radii, and Solution Conditions on the Composition of Lanthanide(III) α1-P2W17O6110-Polyoxometalates Inorganic Chemistry 44 (2005) 3569-3578
Space group: C 1 2/c 1
Cell volume: 16004
Cell parameters: 41.072; 16.152; 24.933; 90; 104.63; 90;

COD ID: 1100739

CIF file

Formula: - C84 H76 B2 Mn2 N8 O2 -
Comments: Yutaka Hitomi; Akira Ando; Hajime Matsui; Tomoyuki Ito; Tsunehiro Tanaka; Seiji Ogo; Takuzo Funabiki Aerobic Catechol Oxidation Catalyzed by a Bis(μ-oxo)dimanganese(III,III) Complex via a Manganese(II)-Semiquinonate Complex Inorganic Chemistry 44 (2005) 3473-3478
Space group: C 1 2/c 1
Cell volume: 6858
Cell parameters: 19.474; 14.884; 24.538; 90; 105.37; 90;

COD ID: 1100747

CIF file

Formula: - C22 H12 Br Cl N4 O4 Re -
Comments: Natasha J. Lundin; Penny J. Walsh; Sarah L. Howell; John J. McGarvey; Allan G. Blackman; Keith C. Gordon Complexes of Functionalized Dipyrido[3,2-a:2',3'-c]-phenazine: A Synthetic, Spectroscopic, Structural, and Density Functional Theory Study Inorganic Chemistry 44 (2005) 3551-3560
Space group: C 1 2/c 1
Cell volume: 4251
Cell parameters: 19.506; 18.043; 13.32; 90; 114.936; 90;

COD ID: 1100761
CIF file	Formula: - C20 H20 Ru4 Se6 - Comments: Sergey M. Dibrov; Bin Deng; Donald E. Ellis; James A. Ibers Synthesis and Structural Characterization of Some Selenoruthenates and Telluroruthenates Inorganic Chemistry 44 (2005) 3441-3448 Space group: C 1 2/c 1 Cell volume: 2337.4 Cell parameters: 12.401; 13.607; 14.801; 90; 110.628; 90;

COD ID: 1100762
CIF file	Formula: - C46 H40 P2 Ru2 Te6 - Comments: Sergey M. Dibrov; Bin Deng; Donald E. Ellis; James A. Ibers Synthesis and Structural Characterization of Some Selenoruthenates and Telluroruthenates Inorganic Chemistry 44 (2005) 3441-3448 Space group: C 1 2/c 1 Cell volume: 5194.1 Cell parameters: 25.211; 13.8374; 17.1079; 90; 119.506; 90;

COD ID: 1100768
CIF file	Formula: - C19 H23 B N6 S2 Zn - Comments: Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes Inorganic Chemistry 44(10) (2005) 3518-3523 Space group: C 1 2/c 1 Cell volume: 4477.6 Cell parameters: 21.345; 8.6672; 24.5; 90; 98.926; 90;

COD ID: 1100769
CIF file	Formula: - C18 H20 B Cl N6 S2 Zn - Comments: Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes Inorganic Chemistry 44(10) (2005) 3518-3523 Space group: C 1 2/c 1 Cell volume: 4417.1 Cell parameters: 20.688; 8.5506; 25.364; 90; 100.111; 90;

COD ID: 1100771

CIF file

Formula: - C6 H8 Cd N O5 P -
Comments: Deng-Ke Cao; Yi-Zhi Li; You Song; Li-Min Zheng Three-, Two-, and One-Dimensional Metal Phosphonates Based on [Hydroxy(4-pyridyl)methyl]phosphonate: M{(4-C5H4N)CH(OH)PO3}(H2O) (M = Ni, Cd) and Gd{(4-C5H4N)CH(OH)P(OH)O2}3.6H2O Inorganic Chemistry 44 (2005) 3599-3604
Space group: C 1 2/c 1
Cell volume: 1738.3
Cell parameters: 23.344; 5.2745; 16.571; 90; 121.576; 90;

COD ID: 1100779
CIF file	Formula: - C72 H104 N12 O72 P12 S2 Zn14 - Comments: Deng-Ke Cao; Yi-Zhi Li; Li-Min Zheng [Zn7{(2-C5H4N)CH(OH)PO3}6(H2O)6]SO4.4H2O: A Zinc Phosphonate Cluster with a Drum-like Cage Structure Inorganic Chemistry 44 (2005) 2984-2985 Space group: C 1 2/c 1 Cell volume: 6855.2 Cell parameters: 22.69; 16.6746; 18.1507; 90; 93.39; 90;

COD ID: 1100867
CIF file	Formula: - C35 H37 Cl2 N3 Ru - Comments: Slugovc, Christian; Burtscher, Daniel; Stelzer, Franz; Mereiter, Kurt Thermally Switchable Olefin Metathesis Initiators Bearing Chelating Carbenes: Influence of the Chelate's Ring Size Organometallics 24(10) (2005) 2255-2258 Space group: C 1 2/c 1 Cell volume: 6531.1 Cell parameters: 38.8057; 10.9768; 15.7674; 90; 103.486; 90;

COD ID: 1100868
CIF file	Formula: - C35 H37 Cl2 N3 Ru - Comments: Slugovc, Christian; Burtscher, Daniel; Stelzer, Franz; Mereiter, Kurt Thermally Switchable Olefin Metathesis Initiators Bearing Chelating Carbenes: Influence of the Chelate's Ring Size Organometallics 24(10) (2005) 2255-2258 Space group: C 1 2/c 1 Cell volume: 7366 Cell parameters: 27.76; 15.49; 17.149; 90; 92.59; 90;

COD ID: 1100871
CIF file	Formula: - C35 H51 F12 N O2 P2 W - Comments: Jamison, Gregory M.; Wheeler, David R.; Loy, Douglas A.; Ziller, Joseph W. Double Phosphaalkyne Insertion to a Tungsten Alkylidene: Formation of a Diphosphametallabicyclobutane Organometallics 24(10) (2005) 2245-2247 Space group: C 1 2/c 1 Cell volume: 8159.4 Cell parameters: 42.11; 10.6323; 20.577; 90; 117.67; 90;

COD ID: 1100874
CIF file	Formula: - C52 H74 O13 P2 Pt2 Ru5 - Comments: Adams, Richard D.; Captain, Burjor; Zhu, Lei New High Nuclearity Platinum‒Ruthenium Carbonyl Cluster Complexes Containing a Phenylacetylene Ligand: Structures and Properties Organometallics 24(10) (2005) 2419-2423 Space group: C 1 2/c 1 Cell volume: 13133.4 Cell parameters: 39.057; 18.0757; 22.9961; 90; 126.005; 90;

COD ID: 1100878

CIF file

Formula: - C43 H33 O8 Ru3 -
Comments: Osintseva, Svetlana V.; Dolgushin, Fedor M.; Shtel'tser, Nikolay A.; Petrovskii, Pavel V.; Kreindlin, Arkadii Z.; Rybin, Leonid V.; Antipin, Mikhail Yu. Reaction of Ru <sub>3</sub> (CO) <sub>12</sub> with Dibenzylideneacetone Organometallics 24(10) (2005) 2279-2288
Space group: C 1 2/c 1
Cell volume: 3825
Cell parameters: 14.12; 24.452; 11.08; 90; 90.92; 90;

COD ID: 1100904
CIF file	Formula: - C23 H43 Cl2 N2 P2 V - Comments: Yamada, Junji; Fujiki, Michiya; Nomura, Kotohiro A Vanadium(V) Alkylidene Complex Exhibiting Remarkable Catalytic Activity for Ring-Opening Metathesis Polymerization (ROMP) Organometallics 24(10) (2005) 2248-2250 Space group: C 1 2/c 1 Cell volume: 5641 Cell parameters: 29.52; 10.9241; 18.578; 90; 109.683; 90;

COD ID: 1100908
CIF file HKL data	Formula: - C18 H22 Cu N2 O5 - Comments: Baggio, Ricardo; Foxman, Bruce; Garland, Maria Teresa; Perec, Mireille; Shang, Wen Aquabis(crotonato)bis(pyridine)copper(II) Acta Crystallographica Section C 56(11) (2000) e505-e506 Space group: C 1 2/c 1 Cell volume: 1947.6 Cell parameters: 15.922; 5.7331; 21.341; 90; 91.097; 90;

COD ID: 1100920
CIF file	Formula: - C64 H42.5 Cu1.5 N4 O9 - Comments: () Space group: C 1 2/c 1 Cell volume: 10977.9 Cell parameters: 27.543; 13.226; 31.171; 90; 104.81; 90;

COD ID: 1100938

CIF file

Formula: - C30 H25 Cl2 N8 O13 Ru -
Comments: Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects Inorganic Chemistry 44 (2005) 3499-3511
Space group: C 1 2/c 1
Cell volume: 6765
Cell parameters: 39.07; 9.625; 19.353; 90; 111.644; 90;

COD ID: 1100967

CIF file

Formula: - C56 H46 Cu6 N6 P2 S8 W2 -
Comments: Jian-Ping Lang; Chang-Mei Jiao; Shan-Bao Qiao; Wen-Hua Zhang; Brendan F. Abrahams Acetic Acid Induced Self-Assembly of Supramolecular Compounds [Et4N]3[(WS4Cu2)2(μ-CN)3].2MeCN and [PPh4][WS4Cu3(μ-CN)2].MeCN from Preformed Clusters [A]2[WS4(CuCN)2] (A = Et4N, PPh4) Inorganic Chemistry 44 (2005) 3664-3668
Space group: C 1 2/c 1
Cell volume: 6439.7
Cell parameters: 30.344; 10.3195; 26.17; 90; 128.202; 90;

COD ID: 1100968

CIF file

Formula: - C12 H24 O12 Sn2 -
Comments: Corrado Di Nicola; Agustin Galindo; John V. Hanna; Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Eleonora Rivarola; Brian W. Skelton; Allan H. White Synthesis and Spectroscopic and X-ray Structural Characterization of R2SnIV-Oxydiacetate and -Iminodiacetate Complexes Inorganic Chemistry 44 (2005) 3094-3102
Space group: C 1 2/c 1
Cell volume: 1916.7
Cell parameters: 22.608; 6.6669; 15.527; 90; 125.015; 90;

COD ID: 1100974
CIF file	Formula: - C8 H12 Cl4 N4 Zn - Comments: Ruili Sang; Li Xu A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties Inorganic Chemistry 44 (2005) 3731-3737 Space group: C 1 2/c 1 Cell volume: 1441.8 Cell parameters: 15.816; 8.9899; 11.474; 90; 117.899; 90;

COD ID: 1100981

CIF file

Formula: - C42 H48 B F10 N2 O2 Pd -
Comments: Swarnalatha Kokatam; Thomas Weyhermüller; Eberhard Bothe; Phalguni Chaudhuri; Karl Wieghardt Structural Characterization of Four Members of the Electron-Transfer Series [PdII(L)2)2]n (L = o-Iminophenolate Derivative; n= 2-, 1-, 0, 1+, 2+). Ligand Mixed Valency in the Monocation and Monoanion with S=1/2 Ground States Inorganic Chemistry 44 (2005) 3709-3717
Space group: C 1 2/c 1
Cell volume: 8779.2
Cell parameters: 21.5769; 13.2251; 30.9126; 90; 95.586; 90;

COD ID: 1100991

CIF file

Formula: - C6 H14 N4 O2 -
Comments: Eda, Kazuo; Okazaki, Tadashi; Yamamura, Kimiaki; Hashimoto, Masao Three-dimensional supramolecular assembly having infinite two-dimensional interlocking networks built up only from simple and non-rigid organic molecules via hydrogen bonds. Crystal structures of α,ω-diureidoalkanes H~2~N(CO)NH‒(CH~2~)n‒NH(CO)NH~2~ with n=4 and 5 Journal of Molecular Structure 752(1-3) (2005) 93-97
Space group: C 1 2/c 1
Cell volume: 857.4
Cell parameters: 13.092; 7.247; 9.288; 90; 103.348; 90;

COD ID: 1101001
CIF file	Formula: - C9 H20 N2 O - Comments: Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33 Space group: C 1 2/c 1 Cell volume: 2189.6 Cell parameters: 32.02; 7.4123; 9.3147; 90; 97.939; 90;

COD ID: 1101008
CIF file	Formula: - C13 H28 N2 O - Comments: Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure 734(1-3) (2005) 23-33 Space group: C 1 2/c 1 Cell volume: 2982.3 Cell parameters: 42.43; 7.5982; 9.295; 90; 95.624; 90;

COD ID: 1101030
CIF file	Formula: - Al3 H2 K O12 Si3 - Comments: Radoslovich, E. W. The Structure of Muscovite, KAl~2~(Si~3~Al)O~10~(OH)~2~ Acta Crystallographica 13(11) (1960) 919-932 Space group: C 1 2/c 1 Cell volume: 934.3 Cell parameters: 5.189; 8.996; 20.096; 90; 95.18; 90;

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: 1101087
CIF file	Formula: - C36 H24 Cu F12 N6 P2 - Comments: José M. Seco; María J. González Garmendia; Miguel Quirós Journal of Coordination Chemistry 55 (2002) 345-351 Space group: C 1 2/c 1 Cell volume: 10707.5 Cell parameters: 54.836; 15.923; 12.299; 90; 94.382; 90;

COD ID: 1101090
CIF file	Formula: - C5 H5 N4 O1.5 - Comments: Mohammad Abul Haj; Juan M. Salas; Miguel Quirós; José Molina; René Faure 5-Oxo and 7-oxo derivatives of [1,2,4]triazolo-[1,5-a]pyrimidine: characterization and theoretical study Journal of Molecular Structure 519 (2000) 165-172 Space group: C 1 2/c 1 Cell volume: 1213.3 Cell parameters: 28.836; 3.6902; 12.116; 90; 109.763; 90;

COD ID: 1101108

CIF file

Formula: - C70 H54 Cl2 Cu2 N12 O14 -
Comments: José M. Seco; Miguel Quirós; María J. González Garmendia Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as bridging ligand Polyhedron 19 (2000) 1005-1013
Space group: C 1 2/c 1
Cell volume: 6604
Cell parameters: 23.522; 13.6089; 22.327; 90; 112.478; 90;

COD ID: 1101110

CIF file

Formula: - C36 H24 Cu F12 N6 P2 -
Comments: José M. Seco; Miguel Quirós; María J. González Garmendia Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as bridging ligand Polyhedron 19 (2000) 1005-1013
Space group: C 1 2/c 1
Cell volume: 10707.5
Cell parameters: 54.836; 15.923; 12.299; 90; 94.382; 90;

COD ID: 1101169
CIF file	Formula: - Al13 O82.1 V3 W5.98 - Comments: Jung-Ho Son; Young-Uk Kwon Crystal Engineering through Face Interactions between Tetrahedral and Octahedral Building Blocks: Crystal Structure of [ε-Al13O4(OH)24(H2O)12]2[V2W4O19]3(OH)2.27H2O Inorganic Chemistry 43 (2004) 1929-1932 Space group: C 1 2/c 1 Cell volume: 22928 Cell parameters: 44.567; 25.766; 20.626; 90; 104.526; 90;

COD ID: 1101181
CIF file	Formula: - C4 H17.5 N O11.75 P2 V2 - Comments: Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239 Space group: C 1 2/c 1 Cell volume: 2771.3 Cell parameters: 14.5794; 10.2424; 18.7815; 90; 98.837; 90;

COD ID: 1101182
CIF file	Formula: - C4.5 H16 N O10.5 P2 V2 - Comments: Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239 Space group: C 1 2/c 1 Cell volume: 2852.7 Cell parameters: 15.5527; 10.0841; 18.7813; 90; 104.423; 90;

COD ID: 1101183
CIF file	Formula: - C5 H16.5 N O10.25 P2 V2 - Comments: Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239 Space group: C 1 2/c 1 Cell volume: 2805.7 Cell parameters: 15.2003; 10.2122; 18.5903; 90; 103.53; 90;

COD ID: 1101184
CIF file	Formula: - C5.5 H16 N O9.5 P2 V2 - Comments: Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239 Space group: C 1 2/c 1 Cell volume: 2861 Cell parameters: 15.712; 10.03; 18.656; 90; 103.328; 90;

COD ID: 1101185
CIF file	Formula: - C6 H16.5 N O9.25 P2 V2 - Comments: Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239 Space group: C 1 2/c 1 Cell volume: 2875 Cell parameters: 15.6403; 10.2112; 18.6795; 90; 105.484; 90;

COD ID: 1101186
CIF file	Formula: - C6.5 H17 N O9 P2 V2 - Comments: Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239 Space group: C 1 2/c 1 Cell volume: 2870.9 Cell parameters: 15.822; 10.0614; 18.6103; 90; 104.292; 90;

COD ID: 1101187
CIF file	Formula: - C4.5 H12.75 N O9 P2 V2 - Comments: Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239 Space group: C 1 2/c 1 Cell volume: 2819.7 Cell parameters: 15.2345; 10.1817; 18.6968; 90; 103.524; 90;

COD ID: 1101188
CIF file	Formula: - C4 H16 N O10.5 P2 V2 - Comments: Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239 Space group: C 1 2/c 1 Cell volume: 2774.3 Cell parameters: 15.003; 10.126; 18.604; 90; 101; 90;

COD ID: 1101189
CIF file	Formula: - C5 H15 N O9.5 P2 V2 - Comments: Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239 Space group: C 1 2/c 1 Cell volume: 2800.7 Cell parameters: 15.0877; 10.2027; 18.6376; 90; 102.521; 90;

COD ID: 1101190
CIF file	Formula: - C6 H17 N O9 P2 V2 - Comments: Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239 Space group: C 1 2/c 1 Cell volume: 2858.9 Cell parameters: 15.4228; 10.2047; 18.7078; 90; 103.835; 90;

COD ID: 1101191
CIF file	Formula: - C7 H19.5 N O9 P2 V2 - Comments: Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry 45(8) (2006) 3224-3239 Space group: C 1 2/c 1 Cell volume: 2831.4 Cell parameters: 15.2768; 10.2216; 18.6279; 90; 103.252; 90;

COD ID: 1200003
CIF file	Formula: - Cu2 O7 P2 - Comments: () Space group: C 1 2/c 1 Cell volume: 480.481 Cell parameters: 6.85128; 8.11775; 9.15352; 90; 109.3; 90;

COD ID: 1200006
CIF file	Formula: - Al0.7 Ca Fe0.2 Mg0.6 O6 Si1.5 - Comments: Peacor, D R Refinement of the Crystal Structure of a Pyroxene of Formula M1 M2 (Si1.5 Al.5) O6 American Mineralogist 52 (1967) 31-41 Space group: C 1 2/c 1 Cell volume: 446.2 Cell parameters: 9.794; 8.906; 5.319; 90; 105.9; 90;

COD ID: 1500002
CIF file	Formula: - C14 H22 Cd Cl4 N8 O2 - Comments: Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Chlorocadmate(II) salts of two 1,2,4-triazolo[1,5-a]pyrimidine derivatives Journal of Molecular Structure 882 (2008) 30-34 Space group: C 1 2/c 1 Cell volume: 2263.7 Cell parameters: 13.786; 9.4013; 17.6679; 90; 98.672; 90;

COD ID: 1500006

CIF file

Formula: - C11 H21.5 Cl Co N11 O5.25 -
Comments: Rajni Sharma; Raj Pal Sharma; Paloth Venugopalan; Miguel Quirós; Juan M. Salas; J. Yu; Y. Du Capture of aromatic carboxylate anion through second sphere coordination: Topological complementarity of [cis-Co(en)~2~(N~3~)~2~]^+^ and C~7~H~3~ClNO~4~^-^ ions Journal of Molecular Structure 885 (2008) 7-14
Space group: C 1 2/c 1
Cell volume: 3984.9
Cell parameters: 21.9843; 8.7959; 23.0121; 90; 116.426; 90;

COD ID: 1500021

CIF file

Formula: - C64 H84 N8 O20 Ru4 -
Comments: Miguel A. Galindo; Miguel Quirós; M. Angustias Romero; Jorge A.R. Navarro Cyclic tetranuclear half-sandwich ruthenium(II) complexes with 4,7-phenanthroline and hydroxo bridges: Crystal structure, solution behaviour and binding to nucleosides Journal of Inorganic Biochemistry 102 (2008) 1025-1032
Space group: C 1 2/c 1
Cell volume: 14413.6
Cell parameters: 32.9293; 20.2105; 22.498; 90; 105.708; 90;

COD ID: 1500023

CIF file

Formula: - C28 H41 Co N4 O8 -
Comments: Rajni Sharma; Raj Pal Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas First X-ray structure of a cis-isomer of cobalt(III) aromatic carboxylate: Synthesis, and characterization of [cis-Co(en)~2~(C~8~H~7~O~2~)~2~](C~8~H~7~O~2~).2H~2~O, where C~8~H~7~O~2~ = p-methylbenzoate Inorganic Chemistry Communications 9 (2006) 1075-1078
Space group: C 1 2/c 1
Cell volume: 6206.4
Cell parameters: 36.332; 9.1289; 19.2431; 90; 103.487; 90;

COD ID: 1501459

CIF file

Formula: - C28.75 H22 Li N0.5 O4.25 S4 -
Comments: Theivanayagam C. Deivaraj; Wei Hoon Lye; Jagadese J. Vittal New Metalloligands [M(SC{O}Ph)4]-: Synthesis and Characterization of Polymeric [A(MeCN)x{M(SC{O}Ph)4}] Compounds (A = Li, Na and K; M = Ga and In; x= 0-2) Inorganic Chemistry 41 (2002) 3755-3760
Space group: C 1 2/c 1
Cell volume: 6190.4
Cell parameters: 24.5766; 13.2758; 19.9983; 90; 108.426; 90;

COD ID: 1501547

CIF file

Formula: - C28 H40 N6 O4 -
Comments: Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids The Journal of Physical Chemistry C 115 (2011) 12908-12919
Space group: C 1 2/c 1
Cell volume: 5649.8
Cell parameters: 50.606; 7.9595; 14.0826; 90; 95.126; 90;

COD ID: 1501551

CIF file

Formula: - C32 H48 N6 O4 -
Comments: Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids The Journal of Physical Chemistry C 115 (2011) 12908-12919
Space group: C 1 2/c 1
Cell volume: 6389.6
Cell parameters: 58.554; 7.9545; 14.0407; 90; 102.299; 90;

COD ID: 1501556
CIF file	Formula: - C5 H12 Ag F6 S2 Sb - Comments: Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris Influence of the counteranion on silver(I)-dithioether coordination polymers Polyhedron 29 (2010) 2966-2975 Space group: C 1 2/c 1 Cell volume: 2544.83 Cell parameters: 18.1075; 7.9194; 18.0488; 90; 100.504; 90;

COD ID: 1501557
CIF file	Formula: - C19 H22 Ag2 O4 S2 - Comments: Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris Influence of the counteranion on silver(I)-dithioether coordination polymers Polyhedron 29 (2010) 2966-2975 Space group: C 1 2/c 1 Cell volume: 2012.9 Cell parameters: 25.716; 7.8986; 9.9444; 90; 94.775; 90;

COD ID: 1501618
CIF file	Formula: - C46 H30 N8 O12 - Comments: Eric Gagnon; Thierry Maris; Kenneth E. Maly; James D. Wuest The potential of intermolecular N/O interactions of nitro groups in crystal engineering, as revealed by structures of hexakis(4-nitrophenyl)benzene Tetrahedron 63 (2007) 6603-6613 Space group: C 1 2/c 1 Cell volume: 4253.1 Cell parameters: 11.237; 20.367; 19.002; 90; 102.048; 90;

COD ID: 1501619
CIF file	Formula: - C48 H36 N6 O14 - Comments: Eric Gagnon; Thierry Maris; Kenneth E. Maly; James D. Wuest The potential of intermolecular N/O interactions of nitro groups in crystal engineering, as revealed by structures of hexakis(4-nitrophenyl)benzene Tetrahedron 63 (2007) 6603-6613 Space group: C 1 2/c 1 Cell volume: 4468 Cell parameters: 11.18; 20.59; 20.07; 90; 104.74; 90;

COD ID: 1501640

CIF file

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

COD ID: 1501647

CIF file

Formula: - C84 H81 Br4 N3 P6 Re3 S4 -
Comments: Sergey Konchenko; Rosa Llusar; Pavel Petrov; Aleksandr Virovets; Artem Bogomyakov; Carlos Gomez Garcia; Victor Polo Synthesis, molecular and electronic structure of an incomplete cuboidal Re3S4 cluster with an unusual quadruplet ground state Che. Commun. 48 (2012) 2713
Space group: C 1 2/c 1
Cell volume: 17714.4
Cell parameters: 44.6606; 13.7072; 29.2555; 90; 98.463; 90;

COD ID: 1501653

CIF file

Formula: - C14 H10 N2 O2 -
Comments: Jacquemin, Denis; Brémond, Eric; Planchat, Aurélien; Ciofini, Ilaria; Adamo, Carlo TD-DFT Vibronic Couplings in Anthraquinones: From Basis Set and Functional Benchmarks to Applications for Industrial Dyes Journal of Chemical Theory and Computation 7(6) (2011) 1882
Space group: C 1 2/c 1
Cell volume: 2180.6
Cell parameters: 13.0342; 12.2529; 13.7875; 90; 97.983; 90;

COD ID: 1501684

CIF file

Formula: - B10 H30 Mg O10 -
Comments: Yisgedu, Teshome B.; Chen, Xuenian; Lingam, Hima K.; Huang, Zhenguo; Highley, Aaron; Maharrey, Sean; Behrens, Richard; Shore, Sheldon G.; Zhao, Ji-Cheng Synthesis, Structural Characterization, and Thermal Decomposition Study of Mg(H2O)6B10H10·4H2O The Journal of Physical Chemistry C 115(23) (2011) 11793
Space group: C 1 2/c 1
Cell volume: 3641.1
Cell parameters: 14.22; 16.974; 15.099; 90; 92.46; 90;

COD ID: 1501721

CIF file

Formula: - C5 H10 N2 S2 -
Comments: Bushmarinov, I. S.; Fedyanin, I. V.; Lyssenko, K. A.; Lapteva, V. L.; Pisarev, S. A.; Palyulin, V. A.; Zefirov, N. S.; Antipin, M. Yu The "hockey sticks" effect revisited: the conformational and electronic properties of 3,7-dithia-1,5-diazabicyclo[3.3.1]nonane from the QTAIM perspective. The journal of physical chemistry. A 115(45) (2011) 12738-12745
Space group: C 1 2/c 1
Cell volume: 691.48
Cell parameters: 10.3212; 8.8807; 7.5565; 90; 93.299; 90;

COD ID: 1501745

CIF file

Formula: - C11 H8 N4 S -
Comments: Nakanishi, Waro; Hayashi, Satoko; Pitak, Mateusz B.; Hursthouse, Michael B.; Coles, Simon J. Dynamic and static behaviors of N-Z-N σ(3c-4e) (Z = S, Se, and Te) interactions: atoms-in-molecules dual functional analysis with high-resolution X-ray diffraction determination of electron densities for 2-(2-pyridylimino)-2H-1,2,4-thiadiazolo[2,3-a]pyridine. The journal of physical chemistry. A 115(42) (2011) 11775-11787
Space group: C 1 2/c 1
Cell volume: 2000.2
Cell parameters: 10.97; 8.986; 20.881; 90; 103.66; 90;

COD ID: 1501750

CIF file

Formula: - C13 H18 N2 -
Comments: Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A. Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline. The journal of physical chemistry. A 115(40) (2011) 10823-10845
Space group: C 1 2/c 1
Cell volume: 4888.2
Cell parameters: 16.649; 14.441; 20.354; 90; 92.7; 90;

COD ID: 1501772

CIF file

Formula: - C32 H50 Li O4 -
Comments: de la Viuda, Mónica; Yus, Miguel; Guijarro, Albert On the nature of lithium biphenyl in ethereal solvents. A critical analysis unifying DFT calculations, physicochemical data in solution, and a X-ray structure. The journal of physical chemistry. B 115(49) (2011) 14610-14616
Space group: C 1 2/c 1
Cell volume: 3061.2
Cell parameters: 19.191; 9.8248; 17.327; 90; 110.442; 90;

COD ID: 1501773

CIF file

Formula: - C22 H12 S4 -
Comments: Chen, Huajie; Cui, Qingyu; Yu, Gui; Guo, Yunlong; Huang, Jianyao; Zhu, Minliang; Guo, Xiaojun; Liu, Yunqi Synthesis and Characterization of Novel Semiconductors Based on Thieno[3,2-b][1]benzothiophene Cores and Their Applications in the Organic Thin-Film Transistors The Journal of Physical Chemistry C 115(48) (2011) 23984
Space group: C 1 2/c 1
Cell volume: 1743.7
Cell parameters: 38.113; 5.8256; 7.8705; 90; 93.77; 90;

COD ID: 1501780
CIF file	Formula: - C36 H40 Cl2 N2 O4 Zr - Comments: Theaker, Giles W.; Morton, Colin; Scott, Peter Zirconium-Catalyzed Polymerization of a Styrene: Catalyst Reactivation Mechanisms Using Alkenes and Dihydrogen Macromolecules 44(6) (2011) 1393 Space group: C 1 2/c 1 Cell volume: 3369.2 Cell parameters: 23.2628; 8.7389; 16.6065; 90; 93.635; 90;

COD ID: 1501788

CIF file

Formula: - C18 H28 Cl2 N2 Ti -
Comments: Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems Macromolecules 44(7) (2011) 1986
Space group: C 1 2/c 1
Cell volume: 3941.01
Cell parameters: 30.917; 10.5621; 12.0811; 90; 92.5986; 90;

COD ID: 1501851
CIF file	Formula: - C26 H30 N2 O4 - Comments: Sarma, Tridib; Panda, Pradeepta K.; Anusha, P. T.; Rao, S. Venugopal Dinaphthoporphycenes: synthesis and nonlinear optical studies. Organic letters 13(2) (2011) 188-191 Space group: C 1 2/c 1 Cell volume: 10680 Cell parameters: 24.668; 17.4685; 25.941; 90; 107.172; 90;

COD ID: 1501888
CIF file	Formula: - C58 H44 N8 O10 S4 - Comments: Van Rossom, Wim; Robeyns, Koen; Ovaere, Magriet; Van Meervelt, Luc; Dehaen, Wim; Maes, Wouter Odd-numbered oxacalix[n]arenes (n = 5, 7): synthesis and solid-state structures. Organic letters 13(1) (2011) 126-129 Space group: C 1 2/c 1 Cell volume: 5461.9 Cell parameters: 23.242; 7.8358; 30.029; 90; 92.897; 90;

COD ID: 1501926

CIF file

Formula: - C16 H12 I2 O -
Comments: Zhu, Hai-Tao; Ji, Ke-Gong; Yang, Fang; Wang, Li-Jing; Zhao, Shu-Chun; Ali, Shaukat; Liu, Xue-Yuan; Liang, Yong-Min Electrophilic carbocyclization of aryl propargylic alcohols: a facile synthesis of diiodinated carbocycles and heterocycles. Organic letters 13(4) (2011) 684-687
Space group: C 1 2/c 1
Cell volume: 3029.7
Cell parameters: 28.7109; 6.0157; 20.2899; 90; 120.169; 90;

COD ID: 1501944
CIF file	Formula: - C32 H32 N O3 P - Comments: Yin, Guangwei; Zhu, Yuanxun; Zhang, Li; Lu, Ping; Wang, Yanguang Preparation of Allenephosphoramide and Its Utility in the Preparation of 4,9-Dihydro-2H-benzo[f]isoindoles Organic Letters 13(5) (2011) 940-943 Space group: C 1 2/c 1 Cell volume: 11222 Cell parameters: 42.662; 9.5733; 33.755; 90; 125.507; 90;

COD ID: 1501968
CIF file	Formula: - C25 H27 N O2 - Comments: Cohen, Daniel T.; Cardinal-David, Benoit; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A. NHC-catalyzed/titanium(IV)-mediated highly diastereo- and enantioselective dimerization of enals. Organic letters 13(5) (2011) 1068-1071 Space group: C 1 2/c 1 Cell volume: 4102.7 Cell parameters: 28.765; 6.134; 25.888; 90; 116.08; 90;

COD ID: 1501992
CIF file	Formula: - C108 H108 Si6 - Comments: Gessner, Viktoria H.; Tilley, T. Don Diphenylanthracene macrocylces from reductive zirconocene coupling: on the edge of steric overload. Organic letters 13(5) (2011) 1154-1157 Space group: C 1 2/c 1 Cell volume: 23214 Cell parameters: 78.14; 11.995; 25.629; 90; 104.904; 90;

COD ID: 1502007
CIF file	Formula: - C33 H31 N5 O3 S - Comments: Bhandari, Manojkumar R.; Yousufuddin, Muhammed; Lovely, Carl J. Diversity-oriented approach to pyrrole-imidazole alkaloid frameworks. Organic letters 13(6) (2011) 1382-1385 Space group: C 1 2/c 1 Cell volume: 5568 Cell parameters: 26.7452; 11.6338; 18.7886; 90; 107.743; 90;

COD ID: 1502009
CIF file	Formula: - C13 H15 N5 O3 S - Comments: Bhandari, Manojkumar R.; Yousufuddin, Muhammed; Lovely, Carl J. Diversity-oriented approach to pyrrole-imidazole alkaloid frameworks. Organic letters 13(6) (2011) 1382-1385 Space group: C 1 2/c 1 Cell volume: 2916.7 Cell parameters: 35.609; 5.7753; 14.2217; 90; 94.238; 90;

COD ID: 1502015
CIF file	Formula: - C26 H14 Br4 - Comments: Navale, Tushar S.; Thakur, Khushabu; Rathore, Rajendra Sequential oxidative transformation of tetraarylethylenes to 9,10-diarylphenanthrenes and dibenzo[g,p]chrysenes using DDQ as an oxidant. Organic letters 13(7) (2011) 1634-1637 Space group: C 1 2/c 1 Cell volume: 4530.35 Cell parameters: 20.7871; 9.92103; 22.1583; 90; 97.5244; 90;

COD ID: 1502016
CIF file	Formula: - C30 H26 - Comments: Navale, Tushar S.; Thakur, Khushabu; Rathore, Rajendra Sequential oxidative transformation of tetraarylethylenes to 9,10-diarylphenanthrenes and dibenzo[g,p]chrysenes using DDQ as an oxidant. Organic letters 13(7) (2011) 1634-1637 Space group: C 1 2/c 1 Cell volume: 4391.86 Cell parameters: 20.3854; 10.05033; 21.6071; 90; 97.21; 90;

COD ID: 1502036
CIF file	Formula: - C24 H19 N3 O2 - Comments: Chen, Jiun-Jia; Li, Kuan-Ting; Yang, Ding-Yah Synthesis of coumarin/phenanthridine-fused heterocycles and their photochemical and thermochromic properties. Organic letters 13(7) (2011) 1658-1661 Space group: C 1 2/c 1 Cell volume: 4446.5 Cell parameters: 21.849; 12.3571; 16.732; 90; 100.169; 90;

COD ID: 1502079

CIF file

Formula: - C14 H10 I N -
Comments: Pawluć, Piotr; Franczyk, Adrian; Walkowiak, Jędrzej; Hreczycho, Grzegorz; Kubicki, Maciej; Marciniec, Bogdan (E)-9-(2-iodovinyl)-9H-carbazole: a new coupling reagent for the synthesis of π-conjugated carbazoles. Organic letters 13(8) (2011) 1976-1979
Space group: C 1 2/c 1
Cell volume: 2361.95
Cell parameters: 23.8893; 5.446; 19.6525; 90; 112.514; 90;

COD ID: 1502085
CIF file	Formula: - C13 H15 N O2 - Comments: Kulyk, Svitlana; Dougherty, Jr, William G; Kassel, W. Scott; Zdilla, Michael J.; Sieburth, Scott McN Intramolecular pyridone/enyne photocycloaddition: partitioning of the [4 + 4] and [2 + 2] pathways. Organic letters 13(9) (2011) 2180-2183 Space group: C 1 2/c 1 Cell volume: 2250.2 Cell parameters: 11.217; 10.848; 18.81; 90; 100.54; 90;

COD ID: 1502105
CIF file	Formula: - C17 H18 N2 O5 - Comments: Donohoe, Timothy J.; Connolly, Matthew J.; Rathi, Akshat H.; Walton, Lesley Intramolecular hydride addition to pyridinium salts: new routes to enantiopure dihydropyridones. Organic letters 13(8) (2011) 2074-2077 Space group: C 1 2/c 1 Cell volume: 3219.52 Cell parameters: 35.653; 6.9183; 14.1033; 90; 112.256; 90;

COD ID: 1502130
CIF file	Formula: - C92 H68 Cu4 N20 O28 - Comments: Dutta, Saikat; Bučar, Dejan-Krešimir; MacGillivray, Leonard R. Resorcinol-templated synthesis of a cofacial terpyridine in crystalline π-stacked columns. Organic letters 13(9) (2011) 2260-2262 Space group: C 1 2/c 1 Cell volume: 9827 Cell parameters: 30.119; 20.405; 16.284; 90; 100.895; 90;

COD ID: 1502164
CIF file	Formula: - C38.5 H56 Cu N2 O2.5 - Comments: White, James D.; Shaw, Subrata cis-2,5-Diaminobicyclo[2.2.2]octane, a new scaffold for asymmetric catalysis via salen-metal complexes. Organic letters 13(9) (2011) 2488-2491 Space group: C 1 2/c 1 Cell volume: 3694.5 Cell parameters: 16.953; 20.663; 11.0738; 90; 107.751; 90;

COD ID: 1502165
CIF file	Formula: - C38 H54 N2 Ni O2 - Comments: White, James D.; Shaw, Subrata cis-2,5-Diaminobicyclo[2.2.2]octane, a new scaffold for asymmetric catalysis via salen-metal complexes. Organic letters 13(9) (2011) 2488-2491 Space group: C 1 2/c 1 Cell volume: 3630.6 Cell parameters: 16.768; 20.434; 11.1052; 90; 107.415; 90;

COD ID: 1502167
CIF file	Formula: - C18 H34 O3 Si - Comments: Xu, Tao; Li, Chuang-chuang; Yang, Zhen A concise approach for the total synthesis of pseudolaric acid A. Organic letters 13(10) (2011) 2630-2633 Space group: C 1 2/c 1 Cell volume: 3882.5 Cell parameters: 25.618; 11.614; 13.245; 90; 99.86; 90;

COD ID: 1502184
CIF file	Formula: - C138 H140 B4 Cl6 F8 N16 - Comments: Hayashi, Yosuke; Yamaguchi, Shigeru; Cha, Won Young; Kim, Dongho; Shinokubo, Hiroshi Synthesis of directly connected BODIPY oligomers through Suzuki-Miyaura coupling. Organic letters 13(12) (2011) 2992-2995 Space group: C 1 2/c 1 Cell volume: 12361 Cell parameters: 57.842; 7.955; 29.332; 90; 113.676; 90;

COD ID: 1502186

CIF file

Formula: - C23 H14 O -
Comments: Xiao, Jinchong; Yang, Bo; Wong, Jen It; Liu, Yi; Wei, Fengxia; Tan, Ke Jie; Teng, Xue; Wu, Yuechao; Huang, Ling; Kloc, Christian; Boey, Freddy; Ma, Jan; Zhang, Hua; Yang, Hui Ying; Zhang, Qichun Synthesis, characterization, self-assembly, and physical properties of 11-methylbenzo[d]pyreno[4,5-b]furan. Organic letters 13(12) (2011) 3004-3007
Space group: C 1 2/c 1
Cell volume: 8767
Cell parameters: 49.52; 4.861; 40.62; 90; 116.289; 90;

COD ID: 1502195

CIF file

Formula: - C54 H58 N2 O10 -
Comments: Niu, Zhenbin; Slebodnick, Carla; Bonrad, Klaus; Huang, Feihe; Gibson, Harry W. The first [2]pseudorotaxane and the first pseudocryptand-type poly[2]pseudorotaxane based on bis(meta-phenylene)-32-crown-10 and paraquat derivatives. Organic letters 13(11) (2011) 2872-2875
Space group: C 1 2/c 1
Cell volume: 4443.1
Cell parameters: 22.2786; 13.2257; 17.1649; 90; 118.54; 90;

COD ID: 1502232
CIF file	Formula: - C21 H13 Br O3 - Comments: Syu, Siang-en; Lee, Yu-Ting; Jang, Yeong-Jiunn; Lin, Wenwei Preparation of functional benzofurans, benzothiophenes, and indoles using ester, thioester, and amide via intramolecular Wittig reactions. Organic letters 13(11) (2011) 2970-2973 Space group: C 1 2/c 1 Cell volume: 3263.8 Cell parameters: 32.8336; 3.9719; 25.7332; 90; 103.456; 90;

COD ID: 1502239

CIF file

Formula: - C14 H13 Cl O2 S2 -
Comments: Gelat, Fabien; Jayashankaran, Jayadevan; Lohier, Jean-François; Gaumont, Annie-Claude; Perrio, Stéphane Organocatalytic asymmetric synthesis of sulfoxides from sulfenic acid anions mediated by a Cinchona-derived phase-transfer reagent. Organic letters 13(12) (2011) 3170-3173
Space group: C 1 2/c 1
Cell volume: 2854.58
Cell parameters: 32.4723; 5.3295; 19.7631; 90; 123.424; 90;

COD ID: 1502255

CIF file

Formula: - C21 H20 N2 O5 S -
Comments: Zhang, Yong-Qiang; Zhu, Dao-Yong; Jiao, Zhi-Wei; Li, Bao-Sheng; Zhang, Fu-Min; Tu, Yong-Qiang; Bi, Zhigang Regiodivergent annulation of alkynyl indoles to construct spiro-pseudoindoxyl and tetrahydro-β-carbolines. Organic letters 13(13) (2011) 3458-3461
Space group: C 1 2/c 1
Cell volume: 3958
Cell parameters: 14.625; 18.877; 15.507; 90; 112.404; 90;

COD ID: 1502306
CIF file	Formula: - C84 H96 S3 Si3 - Comments: Chen, Jia-Hong; Wang, Shao-An; Liu, Yi-Hung; Wong, Ken-Tsung Synthesis and properties of novel C3-symmetric coplanar chromophores. Organic letters 13(16) (2011) 4168-4171 Space group: C 1 2/c 1 Cell volume: 14812.8 Cell parameters: 48.802; 9.1918; 39.5359; 90; 123.36; 90;

COD ID: 1502330
CIF file	Formula: - C31 H22 O5 - Comments: Fan, Yukai; Feng, Pengju; Liu, Mao; Pan, Hongjie; Shi, Yian A concise approach to the dalesconol skeleton. Organic letters 13(17) (2011) 4494-4497 Space group: C 1 2/c 1 Cell volume: 5693 Cell parameters: 20.496; 18.931; 15.444; 90; 108.178; 90;

COD ID: 1502352
CIF file	Formula: - C44 H38 O S4 - Comments: Zöphel, Lukas; Enkelmann, Volker; Rieger, Ralph; Müllen, Klaus Saddle Shaped Hexaaryl[a,c,fg,j,l,op]tetracenes from 4,5,9,10-Tetrafunctionalized Pyrenes Organic Letters 13(17) (2011) 4506-4509 Space group: C 1 2/c 1 Cell volume: 6900.7 Cell parameters: 14.1748; 23.6414; 20.9266; 90; 100.256; 90;

COD ID: 1502361
CIF file	Formula: - C44 H34.5 N1.5 O4 - Comments: Carroll, William R.; Zhao, Chen; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D. A molecular balance for measuring aliphatic CH-π interactions. Organic letters 13(16) (2011) 4320-4323 Space group: C 1 2/c 1 Cell volume: 6737.6 Cell parameters: 34.5471; 10.8695; 20.1542; 90; 117.093; 90;

COD ID: 1502403
CIF file	Formula: - C56 H42 - Comments: Wu, Tsun-Cheng; Chen, Jheng-Jhih; Wu, Yao-Ting Nickel-catalyzed tetramerization of alkynes: synthesis and structure of octatetraenes. Organic letters 13(18) (2011) 4794-4797 Space group: C 1 2/c 1 Cell volume: 4016.3 Cell parameters: 23.3176; 10.4397; 16.694; 90; 98.771; 90;

COD ID: 1502412
CIF file	Formula: - C46 H31 Cl3 N2 - Comments: Wei, Xiaohong; Zhao, Miao; Du, Zhengyin; Li, Xingwei Synthesis of 1-aminoisoquinolines via Rh(III)-catalyzed oxidative coupling. Organic letters 13(17) (2011) 4636-4639 Space group: C 1 2/c 1 Cell volume: 7321 Cell parameters: 38.344; 11.346; 18.236; 90; 112.657; 90;

COD ID: 1502414
CIF file	Formula: - C51 H42 Cl2 - Comments: Chen, Tse-An; Liu, Rai-Shung Synthesis of large polycyclic aromatic hydrocarbons from bis(biaryl)acetylenes: large planar PAHs with low π-sextets. Organic letters 13(17) (2011) 4644-4647 Space group: C 1 2/c 1 Cell volume: 7935.9 Cell parameters: 35.134; 9.7804; 28.186; 90; 124.979; 90;

COD ID: 1502420
CIF file	Formula: - C24 H23 N5 - Comments: Mukhopadhyay, Chhanda; Das, Paramita; Butcher, Ray J. An expeditious and efficient synthesis of highly functionalized [1,6]-naphthyridines under catalyst-free conditions in aqueous medium. Organic letters 13(17) (2011) 4664-4667 Space group: C 1 2/c 1 Cell volume: 4025.6 Cell parameters: 27.867; 10.0431; 14.5453; 90; 98.547; 90;

COD ID: 1502451

CIF file

Formula: - C11 H12 Br N O3 S -
Comments: Samarakoon, Thiwanka B.; Loh, Joanna K.; Rolfe, Alan; Le, Lisa S.; Yoon, Sun Young; Lushington, Gerald H.; Hanson, Paul R. A modular reaction pairing approach to the diversity-oriented synthesis of fused- and bridged-polycyclic sultams. Organic letters 13(19) (2011) 5148-5151
Space group: C 1 2/c 1
Cell volume: 2337.4
Cell parameters: 25.372; 6.9965; 13.992; 90; 109.771; 90;

COD ID: 1502475
CIF file	Formula: - C17 H14 O2 - Comments: Chai, Guobi; Qiu, Youai; Fu, Chunling; Ma, Shengming Efficient assembly of chromone skeleton from 2,3-allenoic acids and benzynes. Organic letters 13(19) (2011) 5196-5199 Space group: C 1 2/c 1 Cell volume: 2524.88 Cell parameters: 15.3311; 8.9614; 18.9054; 90; 103.569; 90;

COD ID: 1502539
CIF file	Formula: - C29 H36 N2 O7 S Si - Comments: Petit, Laurent; Banwell, Martin G.; Willis, Anthony C. The total synthesis of the crinine alkaloid hamayne via a Pd[0]-catalyzed intramolecular alder-ene reaction. Organic letters 13(21) (2011) 5800-5803 Space group: C 1 2/c 1 Cell volume: 12438.3 Cell parameters: 25.6392; 14.1998; 34.5075; 90; 98.0857; 90;

COD ID: 1502574
CIF file	Formula: - C24 H30 S3 - Comments: Guo, Xin; Wang, Suhao; Enkelmann, Volker; Baumgarten, Martin; Müllen, Klaus Making benzotrithiophene a stronger electron donor. Organic letters 13(22) (2011) 6062-6065 Space group: C 1 2/c 1 Cell volume: 2159.4 Cell parameters: 15.2751; 11.0342; 14.3941; 90; 117.12; 90;

COD ID: 1502575
CIF file	Formula: - C36 H54 S3 - Comments: Guo, Xin; Wang, Suhao; Enkelmann, Volker; Baumgarten, Martin; Müllen, Klaus Making benzotrithiophene a stronger electron donor. Organic letters 13(22) (2011) 6062-6065 Space group: C 1 2/c 1 Cell volume: 3265.54 Cell parameters: 15.639; 10.844; 19.8682; 90; 104.266; 90;

COD ID: 1502589
CIF file	Formula: - C22 H12 S2 - Comments: Black, Hayden T.; Liu, Shubin; Ashby, Valerie Sheares Synthesis, crystal structures, and electronic properties of nonlinear fused thienoacene semiconductors. Organic letters 13(24) (2011) 6492-6495 Space group: C 1 2/c 1 Cell volume: 2944.8 Cell parameters: 38.108; 3.8376; 21.281; 90; 108.88; 90;

COD ID: 1502628
CIF file	Formula: - C24 H27 Cl2 N3 O S - Comments: Han, Minsoo; Nam, Kee Dal; Shin, Dongyun; Jeong, Nakcheol; Hahn, Hoh-Gyu Exploration of novel 2-alkylimino-1,3-thiazolines: T-type calcium channel inhibitory activity. Journal of combinatorial chemistry 12(4) (2010) 518-530 Space group: C 1 2/c 1 Cell volume: 4726.2 Cell parameters: 22.27; 11.0361; 19.418; 90; 97.983; 90;

COD ID: 1502629
CIF file	Formula: - C30 H34 Cl N3 O2 S - Comments: Han, Minsoo; Nam, Kee Dal; Shin, Dongyun; Jeong, Nakcheol; Hahn, Hoh-Gyu Exploration of novel 2-alkylimino-1,3-thiazolines: T-type calcium channel inhibitory activity. Journal of combinatorial chemistry 12(4) (2010) 518-530 Space group: C 1 2/c 1 Cell volume: 5511 Cell parameters: 38.497; 12.466; 11.636; 90; 99.309; 90;

COD ID: 1502634

CIF file

Formula: - C22 H35 N3 O2.5 S0.5 -
Comments: Shaabani, Ahmad; Maleki, Ali; Hajishaabanha, Fatemeh; Mofakham, Hamid; Seyyedhamzeh, Mozhdeh; Mahyari, Mojtaba; Ng, Seik Weng Novel Syntheses of Tetrahydrobenzodiazepines and Dihydropyrazines via Isocyanide-Based Multicomponent Reactions of Diamines Journal of Combinatorial Chemistry 12(1) (2010) 186
Space group: C 1 2/c 1
Cell volume: 9277.2
Cell parameters: 27.1869; 10.2149; 34.7688; 90; 106.095; 90;

COD ID: 1502644

CIF file

Formula: - C14 H18 N2 O -
Comments: Wang, Xiang-Shan; Yang, Ke; Zhou, Jie; Tu, Shu-Jiang Facile Method for the Combinatorial Synthesis of 2,2-Disubstituted Quinazolin-4(1H)-one Derivatives Catalyzed by Iodine in Ionic Liquids Journal of Combinatorial Chemistry 12(4) (2010) 417-421
Space group: C 1 2/c 1
Cell volume: 9969
Cell parameters: 39.9096; 11.2986; 29.634; 90; 131.752; 90;

COD ID: 1502648
CIF file	Formula: - C22 H19 N3 O2 S - Comments: Soh, Chai Hoon; Lam, Yulin Microwave-assisted synthesis of substituted 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones. Journal of combinatorial chemistry 12(2) (2010) 286-291 Space group: C 1 2/c 1 Cell volume: 3819.1 Cell parameters: 17.4388; 15.7401; 14.454; 90; 105.718; 90;

Back to the search form
Your own data is not in the COD? Deposit it, thanks!