Crystallography Open Database
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Searching space group like 'P n m a'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1008007 | CIF | Fe2 Ge S4 | P n m a | 12.467; 7.213; 5.902 90; 90; 90 | 530.7 | Vincent, H; Bertaut, E Polyhedral deformations in olivine-type compounds and the crystal structure of Fe~2~ Si S~4~ and Fe~2~ Ge S~4~ Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1749-1755 |
| 1008034 | CIF | F6 W | P n m a | 9.603; 8.713; 5.044 90; 90; 90 | 422 | Levy, J H; Taylor, J C; Wilson, P W The Structures of Fluorides XIII: The Orthorhombic Form of Tungsten Hexafluoride at 193K by Neutron Diffraction Journal of Solid State Chemistry, 1975, 15, 360-365 |
| 1008072 | CIF | Co Mn P | P n m a | 5.947; 3.504; 6.726 90; 90; 90 | 140.2 | Fruchart, D; Bacmann, M; Chaudouet, P Structure du Phosphure de Cobalt et de Manganese Acta Crystallographica B (24,1968-38,1982), 1980, 36, 2759-2761 |
| 1008090 | CIF | Br6 N3 P3 | P n m a | 6.63; 13.36; 14.43 90; 90; 90 | 1278.2 | de Santis, P; Giglio, E; Ripamonti, A The crystal structure of trimeric phosphonitrilic bromide. Journal of Inorganic and Nuclear Chemistry, 1962, 24, 469-474 |
| 1008109 | CIF | Ge Mn2 S4 | P n m a | 12.796; 7.454; 6.034 90; 90; 90 | 575.5 | Duc Tran Qui; Vincent, H; Bertaut, E F; Qui Vu Van Etude par Diffraction Neutronique de la Structure Nucleaire et Magnetique de l'Orthothiogermanate de Manganese Solid State Communications, 1969, 7, 641-645 |
| 1008111 | CIF | Cl H4 N O4 | P n m a | 9.2; 5.82; 7.45 90; 90; 90 | 398.9 | Smith, H G; Levy, H A Neutron Diffraction Study of Ammonium Perchlorate Acta Crystallographica (1,1948-23,1967), 1962, 15, 1201-1206 |
| 1008204 | CIF | I Sb Se | P n m a | 8.698; 4.127; 10.412 90; 90; 90 | 373.8 | Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E; Maurin, M Sur les Chalcogeno-iodures d'antimoine SbXI (X=S,Se,Te):Structures et spectroscopie Moessbauer de ^121^Sb Journal of Solid State Chemistry, 1983, 48, 272-283 |
| 1008211 | CIF | F6 U | P n m a | 9.654; 8.776; 5.084 90; 90; 90 | 430.7 | Levy, J H; Taylor, J C; Waugh, A B Neutron powder structural studies of U F~6~, Mo F~6~ and W F~6~ at 77 K Journal of Fluorine Chemistry, 1983, 23, 29-36 |
| 1008212 | CIF | F6 Mo | P n m a | 9.387; 8.53; 4.953 90; 90; 90 | 396.6 | Levy, J H; Taylor, J C; Waugh, A B Neutron powder structural studies of U F~6~, Mo F~6~ and W F~6~ at 77 K Journal of Fluorine Chemistry, 1983, 23, 29-36 |
| 1008213 | CIF | F6 W | P n m a | 9.422; 8.569; 4.98 90; 90; 90 | 402.1 | Levy, J H; Taylor, J C; Waugh, A B Neutron powder structural studies of U F~6~, Mo F~6~ and W F~6~ at 77 K Journal of Fluorine Chemistry, 1983, 23, 29-36 |
| 1008221 | CIF | Eu O4 S | P n m a | 8.333; 5.326; 6.861 90; 90; 90 | 304.5 | Mayer, I; Levy, E; Glasner, A The Crystal Structure of Eu S O~4~ and Eu C O~3~ Acta Crystallographica (1,1948-23,1967), 1964, 17, 1071-1072 |
| 1008222 | CIF | C Eu O3 | P n m a | 5.102; 8.422; 6.03 90; 90; 90 | 259.1 | Mayer, I; Levy, E; Glasner, A The Crystal Structure of Eu S O~4~ and Eu C O~3~ Acta Crystallographica (1,1948-23,1967), 1964, 17, 1071-1072 |
| 1008429 | CIF | Cs5 P3 Si | P n m a | 14.144; 5.995; 15.5 90; 90; 90 | 1314.3 | Eisenmann, B; Klein, J; Somer, M C O~3~^2-^ - isostere Anionen in Cs~5~ Si P~3~, Cs~5~ Si As~3~, Cs~5~ Ge P~3~ und Cs~5~ Ge As~3~ Angewandte Chemie (German Edition), 1990, 102, 92-93 |
| 1008430 | CIF | As3 Cs5 Si | P n m a | 14.467; 6.043; 15.82 90; 90; 90 | 1383 | Eisenmann, B; Klein, J; Somer, M C O~3~^2-^ - isostere Anionen in Cs~5~ Si P~3~, Cs~5~ Si As~3~, Cs~5~ Ge P~3~ und Cs~5~ Ge As~3~ Angewandte Chemie (German Edition), 1990, 102, 92-93 |
| 1008431 | CIF | Cs5 Ge P3 | P n m a | 14.311; 5.994; 15.618 90; 90; 90 | 1339.7 | Eisenmann, B; Klein, J; Somer, M C O~3~^2-^ - isostere Anionen in Cs~5~ Si P~3~, Cs~5~ Si As~3~, Cs~5~ Ge P~3~ und Cs~5~ Ge As~3~ Angewandte Chemie (German Edition), 1990, 102, 92-93 |
| 1008432 | CIF | As3 Cs5 Ge | P n m a | 14.615; 6.045; 15.964 90; 90; 90 | 1410.4 | Eisenmann, B; Klein, J; Somer, M C O~3~^2-^ - isostere Anionen in Cs~5~ Si P~3~, Cs~5~ Si As~3~, Cs~5~ Ge P~3~ und Cs~5~ Ge As~3~ Angewandte Chemie (German Edition), 1990, 102, 92-93 |
| 1008461 | CIF | Ge P3 Rb5 | P n m a | 13.966; 5.582; 15.256 90; 90; 90 | 1189.3 | Eisenmann, B; Klein, J; Somer, M Crystal structure of pentarubidium triphosphidogermanate Zeitschrift fuer Kristallographie (149,1979-), 1991, 197, 263-264 |
| 1008464 | CIF | As3 Rb5 Si | P n m a | 14.169; 5.671; 15.479 90; 90; 90 | 1243.8 | Eisenmann, B; Klein, J; Somer, M Crystal structure of pentarubidium triarsenidosilicate Zeitschrift fuer Kristallographie (149,1979-), 1991, 197, 273-274 |
| 1008466 | CIF | K2 Na3 P3 Si | P n m a | 14.58; 4.75; 13.02 90; 90; 90 | 901.7 | Eisenmann, B; Klein, J; Somer, M Crystal structure of trisodium dipotassium triphosphidosilicate Zeitschrift fuer Kristallographie (149,1979-), 1991, 197, 275-276 |
| 1008467 | CIF | As3 Ge K Na4 | P n m a | 15.161; 4.813; 13.168 90; 90; 90 | 960.9 | Eisenmann, B; Klein, J Crystal structure of tetrasodium monopotassium triarsenidogermanate Zeitschrift fuer Kristallographie (149,1979-), 1991, 197, 279-280 |
| 1008497 | CIF | H12 N3 O6 P3 S3 | P n m a | 12.45; 12.755; 8.154 90; 90; 90 | 1294.9 | Meisel, M; Wolf, G U; Averbuch-Pouchot, M T Structure of ammonium trithio-cyclo-triphosphate Acta Crystallographica C (39,1983-), 1991, 47, 1368-1370 |
| 1008535 | CIF | F3 H4 Mn N | P n m a | 5.952; 8.543; 5.949 90; 90; 90 | 302.5 | Laguna, M A; Sanjuan, M L; Orera, V M; Rubin, J; Palacios, E; Pique, M C; Bartolome, J; Berar, J F X-ray and raman study of the low temperature NH~4~MnF~3~ structure;evidence of librational motion of the NH~4~^+^ ion Journal of Physics: Condensed Matter, 1993, 5, 283-300 |
| 1008644 | CIF | La O3 V | P n m a | 5.55548; 7.84868; 5.55349 90; 90; 90 | 242.1 | Bordet, P; Chaillout, C; Marezio, M; Huang, Q; Santoro, A; Cheong, S-W; Takagi, H; Oglesby, C S; Batlogg, B Structural aspects of the crystallographic-magnetic transition in LaVO~3~ around 140 K Journal of Solid State Chemistry, 1993, 106, 253-270 |
| 1008645 | CIF | La O3 V | P n m a | 5.5581; 7.83421; 5.54862 90; 90; 90 | 241.6 | Bordet, P; Chaillout, C; Marezio, M; Huang, Q; Santoro, A; Cheong, S-W; Takagi, H; Oglesby, C S; Batlogg, B Structural aspects of the crystallographic-magnetic transition in LaVO~3~ around 140 K Journal of Solid State Chemistry, 1993, 106, 253-270 |
| 1008725 | CIF | C Fe3 | P n m a | 5.092; 6.741; 4.527 90; 90; 90 | 155.4 | Fruchart, D; Chaudouet, P; Fruchart, R; Rouault, A; Senateur, J P Etudes structurales de composes de type cementite: effet de l'hydrogene sur Fe3 C suivi par diffraction neutronique Spectrometrie moessbauer sur Fe Co2 B et Co3 B dopes au ^57^Fe Journal of Solid State Chemistry, 1984, 51, 246-252 |
| 1008809 | CIF | Co14.86 Ge8 Mg9.14 O40 | P n m a | 10.193; 5.941; 24.2 90; 90; 90 | 1465.5 | Levy, D; Barbier, J A new structural family: M10n-2 Ge3n+1 O16n with M = (Co, Mg) and (Ni, Mg) Journal of Solid State Chemistry, 1997, 130, 9-19 |
| 1008861 | CIF | Co Mn P | P n m a | 5.96; 3.49; 6.717 90; 90; 90 | 139.7 | Fruchart, D; Martin-Farrugia, C; Rouault, A; Senateur, J P Etude structurale et magnetique de Co Mn P Physica Status Solidi, Sectio A: Applied Research, 1980, 57, 675-682 |
| 1008862 | CIF | Co Mn P | P n m a | 5.96; 3.49; 6.717 90; 90; 90 | 139.7 | Fruchart, D; Martin-Farrugia, C; Rouault, A; Senateur, J P Etude structurale et magnetique de Co Mn P Physica Status Solidi, Sectio A: Applied Research, 1980, 57, 675-682 |
| 1008936 | CIF | C3 Mn7 | P n m a | 4.546; 6.959; 11.976 90; 90; 90 | 378.9 | Bouchard, J P Etude structurale des carbures de manganese Annales de Chimie (Paris) (Vol=Year), 1967, 1967, 353-366 |
| 1008937 | CIF | C3 Fe7 | P n m a | 4.537; 6.892; 11.913 90; 90; 90 | 372.5 | Bouchard, J P Etude structurale des carbures de manganese Annales de Chimie (Paris) (Vol=Year), 1967, 1967, 353-366 |
| 1008973 | CIF | C3 H Ce O6 | P n m a | 7.322; 10.825; 6.738 90; 90; 90 | 534.1 | Romero, S; Mosset, A; Trombe, J C Two new families of lanthanide mixed-ligand complexes, oxalate- carbonate and oxalate-formate: synthesis and and structure of (Ce (H2 O))2 (C2 O4)2 (C O3) * 2.5 H2 O Journal of Solid State Chemistry, 1996, 127, 256-266 |
| 1008977 | CIF | As Co Rh | P n m a | 5.918; 3.746; 7.029 90; 90; 90 | 155.8 | Roy-Montreuil, J; Chaudouet, P; Rouault, A; Boursier, D; Senateur, J P; Fruchart, R Analyse de l'ordre dans les arseniures M M' As Annales de Chimie (Paris) (Vol=Year), 1984, 9, 579-586 |
| 1008981 | CIF | As0.5 Cr Sb0.5 | P n m a | 5.789; 3.76; 6.474 90; 90; 90 | 140.9 | Kallel, A; Boller, H; Bertaut, E F Helimagnetism in Mn P-type compounds: Mn P, Fe P, Cr As and Cr A1-x Sbx Journal of Physics and Chemistry of Solids, 1974, 35, 1139-1152 |
| 1008982 | CIF | As0.67 Cr Sb0.33 | P n m a | 5.745; 3.699; 6.406 90; 90; 90 | 136.1 | Kallel, A; Boller, H; Bertaut, E F Helimagnetism in Mn P-type compounds: Mn P, Fe P, Cr As and Cr A1-x Sbx Journal of Physics and Chemistry of Solids, 1974, 35, 1139-1152 |
| 1008983 | CIF | As0.72 Cr Sb0.28 | P n m a | 5.735; 3.659; 6.355 90; 90; 90 | 133.4 | Kallel, A; Boller, H; Bertaut, E F Helimagnetism in Mn P-type compounds: Mn P, Fe P, Cr As and Cr A1-x Sbx Journal of Physics and Chemistry of Solids, 1974, 35, 1139-1152 |
| 1008991 | CIF | As Rh Ti | P n m a | 6.334; 3.816; 7.388 90; 90; 90 | 178.6 | Roy-Montreuil, J; Chadouet, P; Rouault, A; Boursier, D; Senateur, J P; Fruchart, R Analyse de l'ordre dans les arseniures MM'As Annales de Chimie (Paris) (Vol=Year), 1984, 9, 589-586 |
| 1008999 | CIF | B Co3 | P n m a | 5.221; 6.631; 4.408 90; 90; 90 | 152.6 | Fruchart, R; Michel, A Sur le borures de nickel, de cobalt et de fer isomorphes de la cementite Bulletin de la Societe Chimique de France (Vol=Year), 1959, 1959, 422-423 |
| 1009067 | CIF | Nb O4 Se3 Sm3 | P n m a | 6.8943; 7.7529; 14.7644 90; 90; 90 | 789.2 | Meerschaut, A; Boyer, C; Lafond, A; Cario, L; Rouxel, J Synthesis and structure determination of Sm3 Nb Se3 O4 Journal of Solid State Chemistry, 1998, 136, 122-126 |
| 1009071 | CIF | Co Mn Si | P n m a | 5.819; 3.691; 6.853 90; 90; 90 | 147.2 | Niziol, S; Binczycka, H; Szytula, A; Todorovic, J; Fruchart, R; Senateur, J P; Fruchart, D Structure magnetique des Mn Co Si Physica Status Solidi, Sectio A: Applied Research, 1978, 45, 591-597 |
| 1009072 | CIF | Co Mn Si | P n m a | 5.8571; 3.6881; 6.8556 90; 90; 90 | 148.1 | Niziol, S; Binczycka, H; Szytula, A; Todorovic, J; Fruchart, R; Senateur, J P; Fruchart, D Structure magnetique des Mn Co Si Physica Status Solidi, Sectio A: Applied Research, 1978, 45, 591-597 |
| 1010065 | CIF | Cs O4 Re | P n m a | 5.73; 5.98; 14.26 90; 90; 90 | 488.6 | Jaeger, F M; Beintema, J The crystalstructure of cesium-, thallium- and rubidiumperrhenates Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen, 1933, 36, 523-528 |
| 1010066 | CIF | O4 Re Tl | P n m a | 5.63; 5.8; 13.33 90; 90; 90 | 435.3 | Jaeger, F M; Beintema, J The crystalstructure of cesium-, thallium- and rubidiumperrhenates Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen, 1933, 36, 523-528 |
| 1010094 | CIF | B F4 Rb | P n m a | 9.07; 5.6; 7.23 90; 90; 90 | 367.2 | Hoard, J L; Blair, V The Crystal Structures of Rubidium and Ammonium Fluoborates Journal of the American Chemical Society, 1935, 57, 1985-1988 |
| 1010103 | CIF | C8 H4 K4 Mo N8 O2 | P n m a | 16.55; 11.7; 8.68 90; 90; 90 | 1680.8 | Hoard, J. L.; Nordsieck, H. H. The Structure of Potassium Molybdocyanide Dihydrate. The Configuration of the Molybdenum Octocyanide Group Journal of the American Chemical Society, 1939, 61, 2853-2863 |
| 1010426 | CIF | Cs O4 Re | P n m a | 5.737; 5.968; 14.241 90; 90; 90 | 487.6 | Beintema, J Die Kristallstruktur der Alkaliperrhenate und -periodate Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1937, 97, 300-322 |
| 1010427 | CIF | O4 Re Tl | P n m a | 5.623; 5.791; 13.295 90; 90; 90 | 432.9 | Beintema, J Die Kristallstruktur der Alkaliperrhenate und -periodate Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1937, 97, 300-322 |
| 1010428 | CIF | Cs I O4 | P n m a | 5.838; 6.014; 14.364 90; 90; 90 | 504.3 | Beintema, J Die Kristallstruktur der Alkaliperrhenate und -periodate Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1937, 97, 300-322 |
| 1010542 | CIF | Ba O4 S | P n m a | 8.85; 5.43; 7.13 90; 90; 90 | 342.6 | James, R. W.; Wood, W. A. The Crystal Structures of Barytes, Celestine and Anglesite Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-), 1925, 109, 598-620 |
| 1010543 | CIF | O4 S Sr | P n m a | 8.36; 5.36; 6.84 90; 90; 90 | 306.5 | James, R. W.; Wood, W. A. The Crystal Structures of Barytes, Celestine and Anglesite Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-), 1925, 109, 598-620 |
| 1010544 | CIF | Cl2 Sm | P n m a | 4.49; 7.53; 8.97 90; 90; 90 | 303.3 | Doell, W; Klemm, W Ueber die Struktur einiger Dihalogenide Zeitschrift fuer Anorganische und Allgemeine Chemie, 1939, 241, 239-258 |
| 1010611 | CIF | Cl K O4 | P n m a | 8.834; 5.65; 7.24 90; 90; 90 | 361.4 | Gottfried, C; Schusterius, C Die Struktur von Kalium- und Ammoniumperchlorat Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1932, 84, 65-73 |
| 1010612 | CIF | Cl H4 N O4 | P n m a | 9.202; 5.815; 7.449 90; 90; 90 | 398.6 | Gottfried, C; Schusterius, C Die Struktur von Kalium- und Ammoniumperchlorat Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1932, 84, 65-73 |
| 1010886 | CIF | B H O2 | P n m a | 8.015; 9.679; 6.244 90; 90; 90 | 484.4 | Tazaki, H Single crystals of metaboric acid. Journal of Science of the Hiroshima University, Series A: Mathematics, Physics, Chemistry, 1940, 10, 37-54 |
| 1010935 | CIF | H2 Mg7 O24 Si8 | P n m a | 18.5; 17.89999; 5.27 90; 90; 90 | 1745.2 | Warren, B E; Modell, D I The structure of Anthophyllite H2 Mg7 (Si O3)8 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1930, 75, 161-179 |
| 1010950 | CIF | O4 Pb S | P n m a | 8.45; 5.38; 6.93 90; 90; 90 | 315 | James, R. W.; Wood, W. A. The Crystal Structures of Barytes, Celestine and Anglesite Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-), 1925, 109, 598-620 |
| 1011135 | CIF | B F4 H4 N | P n m a | 9.06; 5.64; 7.23 90; 90; 90 | 369.4 | Hoard, J L; Blair, V The crystal structures of rubidium and ammonium fluoborates Journal of the American Chemical Society, 1935, 57, 1985-1988 |
| 1011188 | CIF | Cu S2 Sb | P n m a | 6.008; 3.784; 14.456 90; 90; 90 | 328.6 | Hofmann, W Strukturelle und morphologische Zusammenhaenge bei Erzen vom Formeltyp ABC2 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1932, 84, 177-203 |
| 1011192 | CIF | Cu S2 Sb | P n m a | 6.008; 3.784; 14.456 90; 90; 90 | 328.6 | Hofmann, W Strukturelle und morphologische Zusammenhaenge bei Erzen vom Formeltyp A B C2 Fortschritte der Mineralogie, 1932, 17, 422-425 |
| 1100070 | CIF | H12 Mg O9 S2 | P n m a | 9.397; 14.555; 6.864 90; 90; 90 | 938.8 | Baggio, S; Amzel, L; Becka, L N Refinement of the structure of magnesium thiosulfate hexahydrate, Mg S~2~ O~3~ (H~2~ O)~6~ Acta Crystallographica B (24,1968-38,1982), 1969, 25, 1650-2653 |
| 1100072 | CIF | H12 Mg O9 S2 | P n m a | 9.32; 14.36; 6.87 90; 90; 90 | 919.4 | Nardelli, M; Fava, G; Giraldi, G The Crystal Structure of Magnesium Thiosulphate Hexahydrate Acta Crystallographica (1,1948-23,1967), 1962, 15, 227-231 |
| 1100073 | CIF | H12 Mg O9 S2 | P n m a | 9.405; 14.449; 6.866 90; 90; 90 | 933 | Elerman, Y; Fuess, H; Joswig, W Hydrogen Bonding in Magnesium Thiosulphate Hexahydrate Mg S~2~ O~3~ (H~2~ O)~6~. A Neutron Diffraction Study Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1799-1801 |
| 1100074 | CIF | H12 Mg O9 S2 | P n m a | 9.304; 14.447; 6.847 90; 90; 90 | 920.3 | Elerman, Y; Fuess, H; Joswig, W Hydrogen Bonding in Magnesium Thiosulphate Hexahydrate Mg S~2~ O~3~ (H~2~ O)~6~. A Neutron Diffraction Study Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1799-1801 |
| 1100077 | CIF | H12 Mg O9 S2 | P n m a | 9.397; 14.455; 6.864 90; 90; 90 | 932.4 | Baggio, S; Amzel, L M; Becka, L N Refinement of the structure of magnesium thiosulphate hexahydrate, Mg S~2~ O~3~ (H~2~ O)~6~ Acta Crystallographica B (24,1968-38,1982), 1969, 25, 2650-2653 |
| 1100078 | CIF | H12 Mg O9 S2 | P n m a | 9.324; 14.461; 6.862 90; 90; 90 | 925.2 | Elerman, Y; Bats, J W; Fuess, H Deformation Density in Complex Anions. IV. Magnesium Thiosulfate Hexahydrate, Mg S~2~ O~3~ * 6H2 O Acta Crystallographica C (39,1983-), 1983, 39, 515-518 |
| 1100079 | CIF | H12 Mg O9 S2 | P n m a | 9.324; 14.461; 6.862 90; 90; 90 | 925.2 | Elerman, Y; Bats, J W; Fuess, H Deformation Density in Complex Anions. IV. Magnesium Thiosulfate Hexahydrate, Mg S~2~ O~3~ * 6H2 O Acta Crystallographica C (39,1983-), 1983, 39, 515-518 |
| 1100238 | CIF | C24 H45 Li2 N5 O | P n m a | 16.254; 14.669; 11.657 90; 90; 90 | 2779.38 | Boche, G.; Marsch, M.; Harms, K. Private Communication, 2001 |
| 1100301 | CIF | C8 H6 N4 | P n m a | 12.941; 9.45; 6.459 90; 90; 90 | 789.89 | Buchholz, Stefan; Harms, Klaus; Massa, Werner; Boche, Gernot Hydrogen Bonds between an NH~4~^⊕^ Ion and a Carbanion—Crystal Structure of Ammonium 1,2,4-Tricyanocyclopentadienide Angewandte Chemie, International Edition in English, 1989, 28, 73-75 |
| 1100463 | CIF | C8 H10 I N3 | P n m a | 8.973; 6.542; 17.092 90; 90; 90 | 1003.32 | 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, 1996, 118, 4925-4930 |
| 1100466 | CIF | C16 H48 N4 P4 Zn4 | P n m a | 11.8556; 16.3583; 16.552 90; 90; 90 | 3210.05 | Krieger, Matthias; Gould, Robert O.; Harms, Klaus; Parsons, Simon; Dehnicke, Kurt Zinkorganische Phosphaniminato-Komplexe mit Heterocuban-Struktur Chemische Berichte, 1996, 129, 1621-1625 |
| 1100504 | CIF | C36 H61 B2 Li3 O Si2 | P n m a | 13.9028; 15.9059; 17.6689 90; 90; 90 | 3907.24 | Scheschkewitz, David; Menzel, Matthias; Hofmann, Matthias; Schleyer, Paul Ragué; Geiseler, Gertraud; Massa, Werner; Harms, Klaus; Berndt, Armin A Five-Membered Ring with Three Negative Charges and Solvent-Free Lithium Counterions Angewandte Chemie, International Edition, 1999, 38, 2936-2939 |
| 1100643 | CIF | C32 H20 Cr I | P n m a | 22.3915; 10.1812; 10.4478 90; 90; 90 | 2381.81 | Elschenbroich, Christoph; Möckel, Reinhart; Vasil'kov, Alexander; Metz, Bernhard; Harms, Klaus Chromium Sandwich Complexes of Polycyclic Aromatic Hydrocarbons: Triphenylene and Fluoranthene as η^6^ Ligands European Journal of Inorganic Chemistry, 1998, 1998, 1391-1401 |
| 1100788 | CIF | C22 H30 Ir2 N4 | P n m a | 21.365; 15.428; 6.697 90; 90; 90 | 2207 | Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes Organometallics, 2005, 24, 2251-2254 |
| 1100790 | CIF | C25 H39 Ir2 N4 P | P n m a | 19.199; 13.714; 9.781 90; 90; 90 | 2575 | Hidenobu Kajitani; Yoshiaki Tanabe; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii Cyanamido-Bridged Diiridium Complex: a Reactive Building Block for Polynuclear Cyanamido Complexes Organometallics, 2005, 24, 2251-2254 |
| 1100985 | CIF | C20 H12.4 O2 | P n m a | 13.984; 12.722; 8.024 90; 90; 90 | 1427.5 | Yamamura, Kimiaki; Kawashima Taiga; Eda, Kazuo; Tajima, Fukue; Hashimoto, Masao Solid solution of triptycenequinone and triptycenehydroquinone as a non-stoichiometric quinhydrone. Bathochromic changes in color caused by local intermolecular interaction between p-benzoquinone and hydroquinone moieties Journal of Molecular Structure, 2005, 737, 1-6 |
| 1101063 | CIF | Ca2 Fe2 O5 | P n m a | 5.4473; 14.839; 5.6185 90; 90; 90 | 454.15 | Kruger, Hannes; Kahlenberg, Volker 'Unpublished' |
| 1101064 | CIF | Ca2 Fe2 O5 | P n m a | 5.4589; 14.907; 5.6277 90; 90; 90 | 457.95 | Kruger, Hannes; Kahlenberg, Volker 'Unpublished' |
| 1101065 | CIF | Ca2 Fe2 O5 | P n m a | 5.472; 14.975; 5.6368 90; 90; 90 | 461.89 | Kruger, Hannes; Kahlenberg, Volker 'Unpublished' |
| 1101066 | CIF | Ca2 Fe2 O5 | P n m a | 5.4421; 14.785; 5.6112 90; 90; 90 | 451.5 | Kruger, Hannes; Kahlenberg, Volker 'Unpublished' |
| 1101111 | CIF | Fe Li O4 P | P n m a | 10.3328; 6.0043; 4.6977 90; 90; 90 | 291.45 | MAUD software |
| 1500022 | CIF | C28.81 H26.43 Br Co N5.33 O3.9 | P n m a | 17.7483; 36.829; 17.3196 90; 90; 90 | 11320.9 | Maria Lalia-Kantouri; Christos D. Papadopoulos; Antonios G. Hatzidimitriou; Miguel Quirós Synthesis and characterization of new Co(III) mixed-ligand complexes, containing 2-hydroxy-aryloximes and α-diimines. Crystal and molecular strucutre of [Co(saox)(bipy)~2~]Br Polyhedron, 2007, 26, 1292-1302 |
| 1501602 | CIF | C14 H10 F N | P n m a | 8.2094; 21.264; 5.9988 90; 90; 90 | 1047.2 | Elliott, Emma-Claire; Bowkett, Elizabeth R.; Maggs, James L.; Bacsa, John; Park, B. Kevin; Regan, Sophie L.; O'Neill, Paul M; Stachulski, Andrew V. Convenient syntheses of benzo-fluorinated dibenz[b,f]azepines: rearrangements of isatins, acridines, and indoles. Organic letters, 2011, 13, 5592-5595 |
| 1501724 | CIF | C9 H10 Cl N O | P n m a | 13.383; 6.769; 10.267 90; 90; 90 | 930.1 | Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals. The journal of physical chemistry. A, 2011, 115, 7834-7848 |
| 1501748 | CIF | C9 H40 F N15 O12 S3 | P n m a | 20.171; 10.563; 14.348 90; 90; 90 | 3057.1 | Szafrański, Marek Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F. The journal of physical chemistry. B, 2011, 115, 10277-10284 |
| 1501749 | CIF | C9 H40 F N15 O12 S3 | P n m a | 20.272; 10.583; 14.327 90; 90; 90 | 3073.7 | Szafrański, Marek Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F. The journal of physical chemistry. B, 2011, 115, 10277-10284 |
| 1501764 | CIF | C20 H30 N4 O4 | P n m a | 11.6274; 6.7904; 26.582 90; 90; 90 | 2098.8 | Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes. The journal of physical chemistry. A, 2011, 115, 10087-10096 |
| 1502848 | CIF | C24 H24 N2 O5 S2 | P n m a | 17.335; 14.557; 9.2973 90; 90; 90 | 2346.1 | Sriramurthy, Vardhineedi; Kwon, Ohyun Diphosphine-catalyzed mixed double-Michael reaction: a unified synthesis of indolines, dihydropyrrolopyridines, benzimidazolines, tetrahydroquinolines, tetrahydroisoquinolines, dihydrobenzo-1,4-oxazines, and dihydrobenzo-3,1-oxazines. Organic letters, 2010, 12, 1084-1087 |
| 1503140 | CIF | C12 H16.72 N2 O5.36 | P n m a | 19.0772; 6.9067; 9.685 90; 90; 90 | 1276.1 | Sanna, Elena; Martínez, Luis; Rotger, Carmen; Blasco, Salvador; González, Jorge; García-España, Enrique; Costa, Antoni Squaramide-based reagent for selective chromogenic sensing of Cu(II) through a zwitterion radical. Organic letters, 2010, 12, 3840-3843 |
| 1503541 | CIF | C32 H33 F12 N5 P2 S | P n m a | 9.9868; 30.2095; 11.8887 90; 90; 90 | 3586.8 | Benniston, Andrew C.; Hagon, Jerry; He, Xiaoyan; Yang, Songjie; Harrington, Ross W. Spring open two-plus-two electron storage in a disulfide-strapped methyl viologen derivative. Organic letters, 2012, 14, 506-509 |
| 1503603 | CIF | C18 H12 N4 | P n m a | 16.0215; 11.2646; 7.0956 90; 90; 90 | 1280.6 | He, Zikai; Liu, Danqing; Mao, Renxin; Tang, Qin; Miao, Qian Hydrogen-bonded dihydrotetraazapentacenes. Organic letters, 2012, 14, 1050-1053 |
| 1503646 | CIF | C19 H17 Cl N2 O2 | P n m a | 11.7147; 6.9466; 20.785 90; 90; 90 | 1691.4 | Tu, Shu-Jiang; Zhang, Xiao-Hong; Han, Zheng-Guo; Cao, Xu-Dong; Wu, Shan-Shan; Yan, Shu; Hao, Wen-Juan; Zhang, Ge; Ma, Ning Synthesis of Isoxazolo[5,4-b]pyridines by Microwave-Assisted Multi-Component Reactions in Water Journal of Combinatorial Chemistry, 2009, 11, 428 |
| 1504313 | CIF | Ba Fe2 Se3 | P n m a | 11.9996; 5.4711; 9.2156 90; 90; 90 | 605 | Caron, J.; Neilson, J.; Miller, D.; Llobet, A.; McQueen, T. Iron displacements and magnetoelastic coupling in the antiferromagnetic spin-ladder compound BaFe_{2}Se_{3} Physical Review B, 2011, 84, 180409 |
| 1504314 | CIF | Ba Fe2 Se3 | P n m a | 11.88345; 5.41411; 9.14086 90; 90; 90 | 588.11 | Caron, J.; Neilson, J.; Miller, D.; Llobet, A.; McQueen, T. Iron displacements and magnetoelastic coupling in the antiferromagnetic spin-ladder compound BaFe_{2}Se_{3} Physical Review B, 2011, 84, 180409 |
| 1504348 | CIF | C2 H4 Cl2 | P n m a | 7.7446; 9.3368; 5.8584 90; 90; 90 | 423.62 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej 1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts? The journal of physical chemistry. B, 2008, 112, 1184-1188 |
| 1504349 | CIF | C2 H4 Cl2 | P n m a | 7.8716; 9.404; 5.8862 90; 90; 90 | 435.72 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej 1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts? The journal of physical chemistry. B, 2008, 112, 1184-1188 |
| 1504350 | CIF | C2 H4 Cl2 | P n m a | 7.5572; 9.1829; 5.713 90; 90; 90 | 396.5 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej 1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts? The journal of physical chemistry. B, 2008, 112, 1184-1188 |
| 1504351 | CIF | C2 H4 Cl2 | P n m a | 7.3833; 9.0641; 5.6461 90; 90; 90 | 377.85 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej 1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts? The journal of physical chemistry. B, 2008, 112, 1184-1188 |
| 1504352 | CIF | C19 H6 Cl N6 O3 Re | P n m a | 9.841; 14.0813; 14.0276 90; 90; 90 | 1943.9 | Si, Z.; Li, J.; Li, B.; Hong, Z.; Liu, S.; Li, W. Electroluminescence from Singlet Excited-State of the Exciplex between (2,3-Dicarbonitrilopyrazino[2,3-f][1,10]phenanthroline)Re(CO)3Cl and CBP Journal of Physical Chemistry C, 2008, 112, 3920 |
| 1504378 | CIF | C H2 Cl I | P n m a | 6.315; 6.5616; 8.6926 90; 90; 90 | 360.19 | Podsiadło, Marcin; Katrusiak, Andrzej Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2. The journal of physical chemistry. B, 2008, 112, 5355-5362 |
| 1504379 | CIF | C H2 Cl I | P n m a | 6.3026; 6.5131; 8.6599 90; 90; 90 | 355.48 | Podsiadło, Marcin; Katrusiak, Andrzej Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2. The journal of physical chemistry. B, 2008, 112, 5355-5362 |
| 1504380 | CIF | C H2 Cl I | P n m a | 6.2105; 6.3402; 8.5189 90; 90; 90 | 335.44 | Podsiadło, Marcin; Katrusiak, Andrzej Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2. The journal of physical chemistry. B, 2008, 112, 5355-5362 |
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