Crystallography Open Database
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Searching journal of publication like 'Acta crystallographica Section B, Structural science, crystal engineering and materials'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 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 |
| 2101174 | CIF Paper | C18 H18 Ba Ca2 O12 | P n m a | 12.496; 12.845; 18.298 90; 90; 90 | 2937.03 | 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 |
| 2101175 | CIF Paper | Li Nb O3 | R 3 c :H | 5.1513; 5.1513; 13.8654 90; 90; 120 | 318.64 | Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B, 1994, 50, 405-414 |
| 2101176 | CIF Paper | Li Nb O3 | R 3 c :H | 5.2542; 5.2542; 13.8759 90; 90; 120 | 331.75 | Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B, 1994, 50, 405-414 |
| 2101177 | CIF Paper | Li Nb O3 | R 3 c :H | 5.2718; 5.2718; 13.8604 90; 90; 120 | 333.6 | Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B, 1994, 50, 405-414 |
| 2101178 | CIF Paper | Li Nb O3 | R -3 c :H | 5.285; 5.285; 13.8488 90; 90; 120 | 334.99 | Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B, 1994, 50, 405-414 |
| 2101179 | CIF Paper | Li Nb O3 | R -3 c :H | 5.2898; 5.2898; 13.8485 90; 90; 120 | 335.59 | Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B, 1994, 50, 405-414 |
| 2101180 | CIF Paper | Li Nb O3 | R -3 c :H | 5.292; 5.292; 13.846 90; 90; 120 | 335.81 | Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B, 1994, 50, 405-414 |
| 2101181 | CIF Paper | Li Nb O3 | R 3 c :H | 5.2542; 5.2542; 13.8759 90; 90; 120 | 331.75 | Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B, 1994, 50, 405-414 |
| 2101182 | CIF Paper | Li Nb O3 | R 3 c :H | 5.2719; 5.2719; 13.8601 90; 90; 120 | 333.6 | Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B, 1994, 50, 405-414 |
| 2101183 | CIF Paper | Li Nb O3 | R -3 c :H | 5.2849; 5.2849; 13.8481 90; 90; 120 | 334.96 | Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B, 1994, 50, 405-414 |
| 2101184 | CIF Paper | Li Nb O3 | R -3 c :H | 5.2897; 5.2897; 13.8476 90; 90; 120 | 335.56 | Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B, 1994, 50, 405-414 |
| 2101185 | CIF Paper | Li Nb O3 | R -3 c :H | 5.292; 5.292; 13.845 90; 90; 120 | 335.79 | Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B, 1994, 50, 405-414 |
| 2101186 | CIF Paper | C17 H30 N2 O4 | P 1 21/n 1 | 17.963; 6.29; 18.214 90; 116.59; 90 | 1840.3 | Milius, W.; Steinlein, C.; Eisenbach, C. D. Structure of <i>trans</i>,<i>trans</i>-4,4'-di(methoxycarbonylimino)dicyclohexylmethane: a model for <i>trans</i>,<i>trans</i>-4,4'-diisocyanatodicyclohexylmethane/1,4-butanediol-based units in polyurethane hard segments Acta Crystallographica Section B, 1994, 50, 455-458 |
| 2101187 | CIF Paper | C20 H26 O4 | P n m a | 15.129; 14.853; 7.768 90; 90; 90 | 1745.6 | Irngartinger, H.; Oeser, T. Difference-density distribution of a prismane derivative Acta Crystallographica Section B, 1994, 50, 459-464 |
| 2101188 | CIF Paper | C24 H33 N O4 | P 21 21 21 | 17.266; 19.292; 6.3739 90; 90; 90 | 2123.1 | Jones, R.; Scheffer, J. R.; Trotter, J.; Yang, J. Crystal structures, chiralities and photochemistry of two polymorphs of <small>L</small>-prolinolium α-adamantylacetophenone-<i>p</i>-carboxylate Acta Crystallographica Section B, 1994, 50, 601-607 |
| 2101189 | CIF Paper | C24 H33 N O4 | P 21 21 21 | 11.798; 43.563; 8.4434 90; 90; 90 | 4339.5 | Jones, R.; Scheffer, J. R.; Trotter, J.; Yang, J. Crystal structures, chiralities and photochemistry of two polymorphs of <small>L</small>-prolinolium α-adamantylacetophenone-<i>p</i>-carboxylate Acta Crystallographica Section B, 1994, 50, 601-607 |
| 2101190 | CIF Paper | C48 H68 N2 O9 | P 21 21 21 | 11.021; 56.481; 6.84 90; 90; 90 | 4257.7 | Jones, R.; Scheffer, J. R.; Trotter, J.; Yang, J. Crystal structures, chiralities and photochemistry of two polymorphs of <small>L</small>-prolinolium α-adamantylacetophenone-<i>p</i>-carboxylate Acta Crystallographica Section B, 1994, 50, 601-607 |
| 2101191 | CIF Paper | C20 H22 O4 | P 1 21/c 1 | 12.643; 9.288; 15.153 90; 105.7; 90 | 1713 | Jones, R.; Scheffer, J. R.; Trotter, J.; Yap, M. Crystal structure and photochemistry of dimethyl 1,4-dihydro-1,4,5,8-tetramethyl-1,4-ethenonaphthalene-2,3-dicarboxylate Acta Crystallographica Section B, 1994, 50, 597-600 |
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