Crystallography Open Database
Search results
Result: there are 177 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'Acta Crystallographica B (39,1983-)' volume of publication is 50
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
2101124 | CIF Paper | C42 H88 | F m m m | 5.02; 7.711; 58.6 90.8; 89.6; 90.01 | 2268 | Gerson, A. R.; Nyburg, S. C. Structures of two binary <i>n</i>-alkane solid solutions Acta Crystallographica Section B, 1994, 50, 252-256 |
2101125 | CIF Paper | C14 H20 Fe I N | P 1 21/c 1 | 8.6236; 13.5926; 12.8623 90; 102.792; 90 | 1470.26 | Ferguson, George; Gallagher, John F.; Glidewell, Christopher; Zakaria, Choudhury M. Structures of (ferrocenylmethyl)trimethylammonium iodide and hexa-<i>N</i>-methylferrocene-1,1'-diylbis(methylammonium iodide) Acta Crystallographica Section B, 1994, 50, 146-150 |
2101126 | CIF Paper | C18 H30 Fe I2 N2 | C 1 2/c 1 | 27.1457; 12.3446; 14.5295 90; 115.909; 90 | 4379.5 | Ferguson, George; Gallagher, John F.; Glidewell, Christopher; Zakaria, Choudhury M. Structures of (ferrocenylmethyl)trimethylammonium iodide and hexa-<i>N</i>-methylferrocene-1,1'-diylbis(methylammonium iodide) Acta Crystallographica Section B, 1994, 50, 146-150 |
2101127 | CIF Paper | C11 H8 N4 O7 | P 1 21/c 1 | 12.122; 3.783; 26.621 90; 92.56; 90 | 1219.6 | Botoshansky, M.; Herbstein, F. H.; Kapon, M. Pyridinium picrate ‒ the structures of phases I and II. Correction of previous report for phase I. Study of the phase transformation Acta Crystallographica Section B, 1994, 50, 191-200 |
2101128 | CIF Paper | C11 H8 N4 O7 | P -1 | 10.156; 8.984; 7.23 86.38; 80.1; 89.97 | 648.5 | Botoshansky, M.; Herbstein, F. H.; Kapon, M. Pyridinium picrate – the structures of phases I and II. Correction of previous report for phase I. Study of the phase transformation Acta Crystallographica Section B, 1994, 50, 191-200 |
2101129 | CIF Paper | C14 H26 Cu O4 | P -1 | 5.17; 8.518; 19.217 86.65; 83.6; 75.46 | 813.7 | Ghermani, N.-E.; Lecomte, C.; Rapin, C.; Steinmetz, P.; Steinmetz, J.; Malaman, B. Structure and preliminary electron distribution of copper heptanoate from room-temperature X-ray data Acta Crystallographica Section B, 1994, 50, 157-160 |
2101130 | CIF Paper | C8 H14 N2 O2 | P 1 21/n 1 | 4.874; 11.714; 8.088 90; 107.3; 90 | 440.9 | Tereshko, V.; Monserrat, J. M.; Pérez-Folch, J.; Aymamí, J.; Fita, I.; Subirana, J. A. Structure of the stacked cyclic oligoamides: 1,6-diaza-2,7-cyclodecadione and 1,5,9-triaza-2,6,10-cyclododecatrione. A ring model of the α-helix Acta Crystallographica, Section B: Structural Science, 1994, 50, 243-251 |
2101131 | CIF Paper | C9 H15 N3 O3 | R 3 m :H | 13.74; 13.74; 4.82 90; 90; 120 | 788 | Tereshko, V.; Monserrat, J. M.; Pérez-Folch, J.; Aymamí, J.; Fita, I.; Subirana, J. A. Structure of the stacked cyclic oligoamides: 1,6-diaza-2,7-cyclodecadione and 1,5,9-triaza-2,6,10-cyclododecatrione. A ring model of the α-helix Acta Crystallographica, Section B: Structural Science, 1994, 50, 243-251 |
2101132 | CIF Paper | F6 Li2 Mo | P42 mnm | 4.6863; 4.6863; 9.191 90; 90; 90 | 201.8 | Baur, W. H. Space group of the trirutile type structure of Li~2~MoF~6~ Acta Crystallographica Section B, 1994, 50, 141-146 |
2101133 | CIF Paper | F6 Li2 Mo | P 42 21 2 | 4.6863; 4.6863; 9.191 90; 90; 90 | 201.8 | Baur, W. H. Space group of the trirutile type structure of Li~2~MoF~6~ Acta Crystallographica Section B, 1994, 50, 141-146 |
2101134 | CIF Paper | C26 H12 O6 | P 1 21/n 1 | 13.664; 9.281; 14.42 90; 91.8; 90 | 1827.8 | Herbstein, F. H.; Marsh, R. E.; Samson, S. X-ray diffraction study of the crystal structure of the π-molecular compound pyrene^{···^}pyromellitic dianhydride at 19 K Acta Crystallographica Section B, 1994, 50, 174-181 |
2101135 | CIF Paper | Al3 F19 Pb5 | P 4/n :2 | 20.1738; 20.1738; 7.2205 90; 90; 90 | 2938.62 | Andriamampianina, V.; Gravereau, P.; Ravez, J.; Abrahams, S. C. Relationship between the structures of ferroelectric Pb~5~Cr~3~F~19~ and antiferroelectric Pb~5~Al~3~F~19~ at 295 K and the phase III‒phase IV transition in Pb~5~Al~3~F~19~ on cooling to about 110 K Acta Crystallographica Section B, 1994, 50, 135-141 |
2101136 | CIF Paper | C15 H19 N3 S | P b c n | 8.033; 22.77; 8.193 90; 90; 90 | 1498.6 | Bartoszak, E.; Jaskólski, M.; Grech, E.; Gustafsson, T.; Olovsson, I. Structure of thiocanate salt of 1,8-bis(dimethylamino)naphthalene (dmanH^+^.SCN^{-^}) at 188 and 290 K Acta Crystallographica Section B, 1994, 50, 358-363 |
2101137 | CIF Paper | C15 H19 N3 S | P b c n | 8.0608; 22.941; 8.266 90; 90; 90 | 1528.6 | Bartoszak, E.; Jaskólski, M.; Grech, E.; Gustafsson, T.; Olovsson, I. Structure of thiocanate salt of 1,8-bis(dimethylamino)naphthalene (dmanH^+^.SCN^{-^}) at 188 and 290 K Acta Crystallographica Section B, 1994, 50, 358-363 |
2101138 | CIF Paper | Be H8 O8 S | I -4 c 2 | 8.012; 8.012; 10.712 90; 90; 90 | 687.63 | Kellersohn, T.; Delaplane, R. G.; Olovsson, I. The synergetic effect in beryllium sulfate tetrahydrate ‒ an experimental electron-density study Acta Crystallographica Section B, 1994, 50, 316-326 |
2101139 | CIF Paper | Be H8 O8 S | I -4 c 2 | 7.9986; 7.9986; 10.705 90; 90; 90 | 684.88 | Kellersohn, T.; Delaplane, R. G.; Olovsson, I. The synergetic effect in beryllium sulfate tetrahydrate ‒ an experimental electron-density study Acta Crystallographica Section B, 1994, 50, 316-326 |
2101140 | CIF Paper | Be H8 O8 S | I -4 c 2 | 7.9922; 7.9922; 10.702 90; 90; 90 | 683.59 | Kellersohn, T.; Delaplane, R. G.; Olovsson, I. The synergetic effect in beryllium sulfate tetrahydrate ‒ an experimental electron-density study Acta Crystallographica Section B, 1994, 50, 316-326 |
2101141 | CIF Paper | H3 Li O2 | C 1 2/m 1 | 7.4153; 8.3054; 3.195 90; 110.107; 90 | 184.778 | Ojamäe, L.; Hermansson, K.; Pisani, C.; Causà, M.; Roetti, C. Structural, vibrational and electronic properties of a crystalline hydrate from <i>ab initio</i> periodic Hartree‒Fock calculations Acta Crystallographica Section B, 1994, 50, 268-279 |
2101142 | CIF Paper | C8 H7 F O3 | P 1 21/c 1 | 8.4238; 5.4766; 15.959 90; 95.962; 90 | 732.27 | Larsen, S.; Marthi, K. Structures of racemic monofluoro-substituted mandelic acids, their relation to the thermochemical properties and an analysis of short intermolecular fluorine‒carbon contacts Acta Crystallographica Section B, 1994, 50, 373-381 |
2101143 | CIF Paper | C8 H7 F O3 | P 1 21/a 1 | 10.8657; 9.2663; 15.722 90; 107.474; 90 | 1509.9 | Larsen, S.; Marthi, K. Structures of racemic monofluoro-substituted mandelic acids, their relation to the thermochemical properties and an analysis of short intermolecular fluorine‒carbon contacts Acta Crystallographica Section B, 1994, 50, 373-381 |
2101144 | CIF Paper | C8 H7 F O3 | P b c a | 9.4685; 16.497; 9.7677 90; 90; 90 | 1525.7 | Larsen, S.; Marthi, K. Structures of racemic monofluoro-substituted mandelic acids, their relation to the thermochemical properties and an analysis of short intermolecular fluorine‒carbon contacts Acta Crystallographica Section B, 1994, 50, 373-381 |
2101145 | CIF Paper | Al4 Fe Si | A 1 2/a 1 | 6.161; 6.175; 20.813 90; 90.42; 90 | 791.8 | Rømming, C.; Hansen, V.; Gjønnes, J. Crystal structure of β-Al~4.5~FeSi Acta Crystallographica Section B, 1994, 50, 307-312 |
2101146 | CIF Paper | C6 H20 Cl4 Mn N2 | A e m a | 7.414; 7.289; 26.803 90; 90; 90 | 1448.5 | Meyer, M.; Paciorek, W. A.; Schenk, K. J.; Chapuis, G.; Depmeier, W. Incommensurately modulated structure of γ-PAMC: new experimental evidence for amplitude and phase fluctuations Acta Crystallographica Section B, 1994, 50, 333-343 |
2101147 | CIF Paper | C2 D6 O6 | P 1 21/n 1 | 6.13661; 3.47501; 11.97044 90; 105.978; 90 | 245.406 | Lehmann, A.; Luger, P.; Lehmann, C. W.; Ibberson, R. M. Oxalic acid dihydrate – an accurate low-temperature structural study using high-resolution neutron powder diffraction Acta Crystallographica Section B, 1994, 50, 344-348 |
2101148 | CIF Paper | C2 D6 O6 | P 1 21/n 1 | 6.13338; 3.50018; 11.98334 90; 106.06; 90 | 247.218 | Lehmann, A.; Luger, P.; Lehmann, C. W.; Ibberson, R. M. Oxalic acid dihydrate – an accurate low-temperature structural study using high-resolution neutron powder diffraction Acta Crystallographica Section B, 1994, 50, 344-348 |
2101149 | CIF Paper | C7 H6 N2 | P 21 21 21 | 5.753; 7.503; 14.27 90; 90; 90 | 616 | Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A. Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures Acta Crystallographica Section B, 1994, 50, 363-373 |
2101150 | CIF Paper | C9 H10 N2 | P 1 21/c 1 | 6.304; 7.937; 17.203 90; 91.59; 90 | 860.4 | Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A. Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures Acta Crystallographica Section B, 1994, 50, 363-373 |
2101151 | CIF Paper | C9 H10 N2 | P 1 21/c 1 | 6.325; 7.917; 17.026 90; 90.95; 90 | 852.5 | Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A. Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures Acta Crystallographica Section B, 1994, 50, 363-373 |
2101152 | CIF Paper | C11 H14 N2 | P 43 21 2 | 7.737; 7.737; 16.594 90; 90; 90 | 993.3 | Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A. Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures Acta Crystallographica Section B, 1994, 50, 363-373 |
2101153 | CIF Paper | C10 H12 N2 | P 1 21/n 1 | 7.482; 7.99; 15.322 90; 92.51; 90 | 915.1 | Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A. Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures Acta Crystallographica Section B, 1994, 50, 363-373 |
2101154 | CIF Paper | C10 H12 N2 | P 1 21/n 1 | 7.466; 7.906; 15.251 90; 92.37; 90 | 899.4 | Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A. Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures Acta Crystallographica Section B, 1994, 50, 363-373 |
2101155 | CIF Paper | C10 H12 N2 | P 1 21/n 1 | 7.467; 7.862; 15.218 90; 92.18; 90 | 892.7 | Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A. Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures Acta Crystallographica Section B, 1994, 50, 363-373 |
2101156 | CIF Paper | C10 H12 N2 | P 1 21/n 1 | 7.467; 7.842; 15.203 90; 92.06; 90 | 889.7 | Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A. Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures Acta Crystallographica Section B, 1994, 50, 363-373 |
2101157 | CIF Paper | C10 H12 N2 | P 1 21/n 1 | 7.468; 7.821; 15.187 90; 91.02; 90 | 886.9 | Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A. Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures Acta Crystallographica Section B, 1994, 50, 363-373 |
2101158 | CIF Paper | C9 H10 N2 | C 1 2/c 1 | 17.1; 22.385; 8.747 90; 98.99; 90 | 3307.1 | Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A. Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures Acta Crystallographica Section B, 1994, 50, 363-373 |
2101159 | CIF Paper | Al5 Fe2 | C m c m | 7.6559; 6.4154; 4.2184 90; 90; 90 | 207.19 | Burkhardt, U.; Grin, Yu.; Ellner, M.; Peters, K. Structure refinement of the iron‒aluminium phase with the approximate composition Fe~2~Al~5~ Acta Crystallographica Section B, 1994, 50, 313-316 |
2101160 | CIF Paper | Al9 O36 P8 Si | R -3 :H | 20.839; 20.839; 5.014 90; 90; 120 | 1885.7 | Baur, W. H.; Joswig, W.; Kassner, D.; Kornatowski, J.; Finger, G. Structure of SAPO-31 refined from single-crystal diffraction data: substitution of P by Si established by diffraction methods Acta Crystallographica Section B, 1994, 50, 290-294 |
2101161 | CIF Paper | C4 H16 N Na O10 | P 21 21 2 | 12.0762; 14.3621; 6.1829 90; 90; 90 | 1072.36 | Brożek, Z.; Mucha, D.; Stadnicka, K. X-ray Rietveld structure determination of ammonium Rochelle salt at 120 (paraelectric phase) and 100 K (ferroelectric phase) Acta Crystallographica Section B, 1994, 50, 465-472 |
2101162 | CIF Paper | C4 H16 N Na O10 | P 1 21 1 (a-1/4,b,c) | 12.1252; 14.4144; 6.1989 90; 91.0392; 90 | 1083.25 | Brożek, Z.; Mucha, D.; Stadnicka, K. X-ray Rietveld structure determination of ammonium Rochelle salt at 120 (paraelectric phase) and 100 K (ferroelectric phase) Acta Crystallographica Section B, 1994, 50, 465-472 |
2101163 | CIF Paper | C16 H6 D12 N6 Ni2 | P 4/m | 7.2358; 7.2358; 8.3104 90; 90; 90 | 435.11 | Büttner, H. G.; Kearley, G. J.; Howard, C. J.; Fillaux, F. Structure of the Hofmann clathrates Ni(NH~3~)~2~Ni(CN)~4~.2C~6~D~6~ and Zn(NH~3~)~2~Ni(CN)~4~.2C~6~H~6~ Acta Crystallographica Section B, 1994, 50, 431-435 |
2101164 | CIF Paper | C16 H6 D12 N6 Ni2 | P 4/m | 7.2196; 7.2196; 8.1007 90; 90; 90 | 422.23 | Büttner, H. G.; Kearley, G. J.; Howard, C. J.; Fillaux, F. Structure of the Hofmann clathrates Ni(NH~3~)~2~Ni(CN)~4~.2C~6~D~6~ and Zn(NH~3~)~2~Ni(CN)~4~.2C~6~H~6~ Acta Crystallographica Section B, 1994, 50, 431-435 |
2101165 | CIF Paper | C16 H18 N6 Ni Zn | P 4/m | 7.3294; 7.3294; 8.0722 90; 90; 90 | 433.64 | Büttner, H. G.; Kearley, G. J.; Howard, C. J.; Fillaux, F. Structure of the Hofmann clathrates Ni(NH~3~)~2~Ni(CN)~4~.2C~6~D~6~ and Zn(NH~3~)~2~Ni(CN)~4~.2C~6~H~6~ Acta Crystallographica Section B, 1994, 50, 431-435 |
2101166 | CIF Paper | H8 N Na O6 S | P 21 21 21 | 6.253; 8.228; 12.856 90; 90; 90 | 661.44 | Arzt, S.; Glazer, A. M. The optical activity and absolute optical chirality of NaNH~4~SO~4~.2H~2~O Acta Crystallographica Section B, 1994, 50, 425-431 |
2101167 | CIF Paper | Fe2 O3 | R -3 c :H | 5.0355; 5.0355; 13.7471 90; 90; 120 | 301.88 | Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N. Synchrotron X-ray study of the electron density in α-Fe~2~O~3~ Acta Crystallographica Section B, 1994, 50, 435-441 |
2101168 | CIF Paper | Fe2 O3 | R -3 c :H | 5.0355; 5.0355; 13.7471 90; 90; 120 | 301.88 | Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N. Synchrotron X-ray study of the electron density in α-Fe~2~O~3~ Acta Crystallographica Section B, 1994, 50, 435-441 |
2101169 | CIF Paper | Fe2 O3 | R -3 c :H | 5.0355; 5.0355; 13.7471 90; 90; 120 | 301.88 | Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N. Synchrotron X-ray study of the electron density in α-Fe~2~O~3~ Acta Crystallographica Section B, 1994, 50, 435-441 |
2101170 | CIF Paper | C53 H39.5 Au Cl0.5 F6 O8 Os3 P4 | C 1 2/c 1 | 37.46; 9.645; 34.86 90; 104.6; 90 | 12188 | Dodd, I. M.; Hao, Q.; Harding, M. M.; Prince, S. M. Structure determination with Laue diffraction data ‒ including refinement when anomalous scatterers are present Acta Crystallographica Section B, 1994, 50, 441-447 |
2101171 | CIF Paper | C30 H32 O6 P2 Ru | P 21 21 21 | 9.367; 13.69; 23.04 90; 90; 90 | 2955 | Dodd, I. M.; Hao, Q.; Harding, M. M.; Prince, S. M. Structure determination with Laue diffraction data ‒ including refinement when anomalous scatterers are present Acta Crystallographica Section B, 1994, 50, 441-447 |
2101172 | CIF Paper | C H6 N2 | P 1 21/c 1 | 10.043; 3.925; 7.67 90; 107.28; 90 | 288.7 | Foulon, M.; Lebrun, N.; Muller, M.; Amazzal, A.; Cohen-Adad, M. T. Structure of the stable phase of methylhydrazine ‒ first observations of phase transitions Acta Crystallographica Section B, 1994, 50, 472-479 |
2101173 | CIF Paper | C18 H18 Ba Ca2 O12 | P n m a | 12.496; 12.845; 18.298 90; 90; 90 | 2937 | Hofstätter, G.; Prandl, W.; Brückel, T.; Hiller, W. X-ray and neutron investigation of the structure and disorder in dicalcium barium acrylate Acta Crystallographica Section B, 1994, 50, 448-455 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!