Crystallography Open Database
Search results
Result: there are 241 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, Section B: Structural Science' volume of publication is 52
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2101516 | CIF Paper | Co Na O4 P | P n m a | 8.871; 6.78; 5.023 90; 90; 90 | 302.11 | Hammond, R.; Barbier, J. Structural chemistry of NaCoPO~4~ Acta Crystallographica Section B, 1996, 52, 440-449 |
| 2101517 | CIF Paper | Co Na O4 P | P 65 | 10.166; 10.166; 23.881 90; 90; 120 | 2137.4 | Hammond, R.; Barbier, J. Structural chemistry of NaCoPO~4~ Acta Crystallographica Section B, 1996, 52, 440-449 |
| 2101518 | CIF Paper | C8 H4 N4 O6 | P 1 21/c 1 | 8.4668; 8.5533; 12.4657 90; 90.341; 90 | 902.74 | Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W. Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor Acta Crystallographica Section B, 1996, 52, 487-499 |
| 2101519 | CIF Paper | C8 H4 N4 O6 | P 21 21 21 | 6.9774; 13.083; 20.401 90; 90; 90 | 1862.3 | Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W. Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor Acta Crystallographica Section B, 1996, 52, 487-499 |
| 2101520 | CIF Paper | C8 H7 N3 O5 | P 1 21/n 1 | 7.4744; 11.9265; 10.491 90; 97.513; 90 | 927.18 | Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W. Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor Acta Crystallographica Section B, 1996, 52, 487-499 |
| 2101521 | CIF Paper | C8 H4 Cl2 N2 O2 | P 1 21/n 1 | 7.2066; 8.4502; 14.4709 90; 99.707; 90 | 868.62 | Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W. Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor Acta Crystallographica Section B, 1996, 52, 487-499 |
| 2101522 | CIF Paper | C11 H11 Cl2 N3 O3 | P -1 | 6.1501; 8.3787; 13.7356 107.407; 99.304; 95.032 | 659.5 | Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W. Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor Acta Crystallographica Section B, 1996, 52, 487-499 |
| 2101523 | CIF Paper | C8 H24 Co Li N8 O12 | P -3 m 1 | 8.856; 8.856; 7.017 90; 90; 120 | 476.6 | Bianchi, R.; Gatti, C.; Adovasio, V.; Nardelli, M. Theoretical and experimental (113 K) electron-density study of lithium bis(tetramethylammonium) hexanitrocobaltate(III) Acta Crystallographica Section B, 1996, 52, 471-478 |
| 2101524 | CIF Paper | C8 H24 Co Li N8 O12 | P -3 m 1 | 8.856; 8.856; 7.017 90; 90; 120 | 476.6 | Bianchi, R.; Gatti, C.; Adovasio, V.; Nardelli, M. Theoretical and experimental (113 K) electron-density study of lithium bis(tetramethylammonium) hexanitrocobaltate(III) Acta Crystallographica Section B, 1996, 52, 471-478 |
| 2101526 | CIF Paper | C4 H8 O3 S | P 21 21 21 | 7.204; 13.67; 6.041 90; 90; 90 | 594.9 | Hellier, D.G.; Luger, P.; Buschmann, J. Chemistry of the S=O bond. 13. Structures of isomers 1 (I) and 2 (II) of 4-methyl-1,3,2-dioxathiane 2-oxide and 1,3,2-dioxathiepane 2-oxide (III) at 256, 240 and 228 K Acta Crystallographica Section B, 1996, 52, 505-508 |
| 2101527 | CIF Paper | C4 H8 O3 S | P 21 21 21 | 18.238; 10.265; 6.616 90; 90; 90 | 1238.6 | Hellier, D.G.; Luger, P.; Buschmann, J. Chemistry of the S=O bond. 13. Structures of isomers 1 (I) and 2 (II) of 4-methyl-1,3,2-dioxathiane 2-oxide and 1,3,2-dioxathiepane 2-oxide (III) at 256, 240 and 228 K Acta Crystallographica Section B, 1996, 52, 505-508 |
| 2101528 | CIF Paper | C4 H8 O3 S | P 1 21/n 1 | 6.06; 11.185; 9.186 90; 101.32; 90 | 610.5 | Hellier, D.G.; Luger, P.; Buschmann, J. Chemistry of the S=O bond. 13. Structures of isomers 1 (I) and 2 (II) of 4-methyl-1,3,2-dioxathiane 2-oxide and 1,3,2-dioxathiepane 2-oxide (III) at 256, 240 and 228 K Acta Crystallographica Section B, 1996, 52, 505-508 |
| 2101529 | CIF Paper | C21 H25 Cl N2 O4 | P 21 21 21 | 7.81; 15.007; 18.326 90; 90; 90 | 2147.9 | Declercq, J.-P.; Dubourg, A.; Payrastre, C.; Mazières, M.-R.; Madaule, Y.; Wolf, J.-G. Structure of 1,5-bis(dimethylamino)-1,5-diphenylpentadienylium perchlorate and modelling of pentadienylium salts (cyanine dyes) Acta Crystallographica Section B, 1996, 52, 500-504 |
| 2101530 | CIF Paper | C27 H50 O6 | P 21 21 21 | 6.234; 15.628; 30.749 90; 90; 90 | 2995.7 | Suwińska, K.; Kutner, A. Crystal and molecular structure of 1,25-dihydroxycholecalciferol Acta Crystallographica Section B, 1996, 52, 550-554 |
| 2101531 | CIF Paper | C23 H29 Br N3 O3.5 | C 1 2/c 1 | 21.916; 15.207; 14.052 90; 101.56; 90 | 4588.2 | Dalpiaz, A.; Ferretti, V.; Gilli, P.; Bertolasi, V. Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT~1~, 5-HT~2~ and 5-HT~3~ receptor subtypes Acta Crystallographica Section B, 1996, 52, 509-518 |
| 2101532 | CIF Paper | C8 H11 N5 | P 1 21/c 1 | 9.781; 35.04; 11 90; 97.72; 90 | 3735.8 | Dalpiaz, A.; Ferretti, V.; Gilli, P.; Bertolasi, V. Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT~1~, 5-HT~2~ and 5-HT~3~ receptor subtypes Acta Crystallographica Section B, 1996, 52, 509-518 |
| 2101533 | CIF Paper | C15 H17 Cl2 N O2 | P -1 | 8.48; 9.84; 10.158 90.04; 111.77; 105.07 | 755.6 | Dalpiaz, A.; Ferretti, V.; Gilli, P.; Bertolasi, V. Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT~1~, 5-HT~2~ and 5-HT~3~ receptor subtypes Acta Crystallographica Section B, 1996, 52, 509-518 |
| 2101534 | CIF Paper | C18 H21 Cl N2 | P 1 21/a 1 | 9.014; 14.917; 12.412 90; 108.84; 90 | 1579.5 | Dalpiaz, A.; Ferretti, V.; Gilli, P.; Bertolasi, V. Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT~1~, 5-HT~2~ and 5-HT~3~ receptor subtypes Acta Crystallographica Section B, 1996, 52, 509-518 |
| 2101535 | CIF Paper | Fe3 O4 | F d -3 m {origin @ centre (-3m)} | 8.3922; 8.3922; 8.3922 90; 90; 90 | 591.05 | Okudera, H.; Kihara, K.; Matsumoto, T. Temperature dependence of structure parameters in natural magnetite: single crystal X-ray studies from 126 to 773 K Acta Crystallographica Section B, 1996, 52, 450-457 |
| 2101536 | CIF Paper | C6 H19 N4 O7 P | P 1 21 1 | 7.333; 7.93; 10.81 90; 98; 90 | 622.5 | Espinosa, E.; Lecomte, C.; Molins, E.; Veintemillas, S.; Cousson, A.; Paulus, W. Electron density study of a new non-linear optical material: <small>L</small>-arginine phosphate monohydrate (LAP). Comparison between <i>X</i>‒<i>X</i> and <i>X</i>‒(<i>X</i> + <i>N</i>) refinements Acta Crystallographica Section B, 1996, 52, 519-534 |
| 2101537 | CIF Paper | C6 H19 N4 O7 P | P 1 21 1 | 7.319; 7.912; 10.779 90; 98.05; 90 | 618 | Espinosa, E.; Lecomte, C.; Molins, E.; Veintemillas, S.; Cousson, A.; Paulus, W. Electron density study of a new non-linear optical material: <small>L</small>-arginine phosphate monohydrate (LAP). Comparison between <i>X</i>‒<i>X</i> and <i>X</i>‒(<i>X</i> + <i>N</i>) refinements Acta Crystallographica Section B, 1996, 52, 519-534 |
| 2101538 | CIF Paper | C6 H19 N4 O7 P | P 1 21 1 | 7.319; 7.912; 10.779 90; 98.05; 90 | 618 | Espinosa, E.; Lecomte, C.; Molins, E.; Veintemillas, S.; Cousson, A.; Paulus, W. Electron density study of a new non-linear optical material: <small>L</small>-arginine phosphate monohydrate (LAP). Comparison between <i>X</i>‒<i>X</i> and <i>X</i>‒(<i>X</i> + <i>N</i>) refinements Acta Crystallographica Section B, 1996, 52, 519-534 |
| 2101539 | CIF Paper | H I O Sr | P n m a | 7.7294; 4.24697; 10.7374 90; 90; 90 | 352.472 | Peter, S.; Cockcroft, J. K.; Roisnel, T.; Lutz, H. D. Distance limits of OH···<i>Y</i> hydrogen bonds (<i>Y</i> = Cl, Br, I) in solid hydroxides, structure refinement of laurionite-type Ba(OD)I, Sr(OD)I and Sr(OH)I by neutron and synchrotron X-ray powder diffraction Acta Crystallographica Section B, 1996, 52, 423-427 |
| 2101540 | CIF Paper | C7 H8 K2 O7 S2 | P 1 21/c 1 | 10.674; 10.79; 10.543 90; 99.97; 90 | 1195.9 | Nagel, N.; Eller, P.; Bock, H. Benzene-1,2-disulfonate dianion: another compound with meshed cogwheel substituents? Acta Crystallographica Section B, 1996, 52, 562-568 |
| 2101541 | CIF Paper | C10 H17 K N O6.5 S2 | P 1 21/m 1 | 10.891; 6.657; 21.212 90; 101.64; 90 | 1506.3 | Nagel, N.; Eller, P.; Bock, H. Benzene-1,2-disulfonate dianion: another compound with meshed cogwheel substituents? Acta Crystallographica Section B, 1996, 52, 562-568 |
| 2101542 | CIF Paper | C11 H14 N6 | P -1 | 10.717; 7.762; 7.418 71.078; 82.838; 78.941 | 571.585 | Karfunkel, H. R.; Wu, Z. J.; Burkhard, A.; Rihs, G.; Sinnreich, D.; Buerger, H. M.; Stanek, J. Crystal packing calculations and Rietveld refinement in elucidating the crystal structures of two modifications of 4-amidinoindanone guanylhydrazone Acta Crystallographica Section B, 1996, 52, 555-561 |
| 2101543 | CIF Paper | C11 H14 N6 | P 1 21/c 1 | 8.09; 7.929; 17.518 90; 90; 90 | 1123.7 | Karfunkel, H. R.; Wu, Z. J.; Burkhard, A.; Rihs, G.; Sinnreich, D.; Buerger, H. M.; Stanek, J. Crystal packing calculations and Rietveld refinement in elucidating the crystal structures of two modifications of 4-amidinoindanone guanylhydrazone Acta Crystallographica Section B, 1996, 52, 555-561 |
| 2101544 | CIF Paper | C18 H20 Cl2 N2 O4 | P n m a | 18.086; 6.983; 14.363 90; 90; 90 | 1814 | Wozniak, K.; Wilson, C. C.; Knight, K. S.; Jones, W.; Grech, E. Neutron diffraction of a complex of 1,8-bis(dimethylamino)naphthalene with 1,2-dichloromaleic acid Acta Crystallographica Section B, 1996, 52, 691-696 |
| 2101545 | CIF Paper | Ba Cu O5 Y2 | P n m a | 12.1793; 5.6591; 7.1323 90; 90; 90 | 491.59 | Hsu, Rebekah M.; Maslen, Edward N.; Ishizawa, Nobuo A synchrotron X-ray study of the electron density in Y~2~BaCuO~5~ Acta Crystallographica Section B, 1996, 52, 569-575 |
| 2101546 | CIF Paper | C28 H51 N O5 | P 1 21 1 | 13.226; 7.871; 14.028 90; 104.71; 90 | 1412.5 | Briozzo, P.; Kondo, T.; Sada, K.; Miyata, M.; Miki, K. Structures of three inclusion compounds of cholanamide with either (<i>S</i>)-enantiomer, (<i>R</i>)-enantiomer or an optically resolved mixture of butan-2-ol Acta Crystallographica Section B, 1996, 52, 728-733 |
| 2101547 | CIF Paper | C28 H51 N O5 | P 1 21 1 | 13.286; 7.853; 14.075 90; 105.12; 90 | 1417.7 | Briozzo, P.; Kondo, T.; Sada, K.; Miyata, M.; Miki, K. Structures of three inclusion compounds of cholanamide with either (<i>S</i>)-enantiomer, (<i>R</i>)-enantiomer or an optically resolved mixture of butan-2-ol Acta Crystallographica Section B, 1996, 52, 728-733 |
| 2101548 | CIF Paper | C28 H51 N O5 | P 1 21 1 | 13.251; 7.869; 14.045 90; 104.82; 90 | 1415.8 | Briozzo, P.; Kondo, T.; Sada, K.; Miyata, M.; Miki, K. Structures of three inclusion compounds of cholanamide with either (<i>S</i>)-enantiomer, (<i>R</i>)-enantiomer or an optically resolved mixture of butan-2-ol Acta Crystallographica Section B, 1996, 52, 728-733 |
| 2101549 | CIF Paper | Cl La O | P 4/n m m :2 | 4.1198; 4.1198; 6.8831 90; 90; 90 | 116.83 | E. N. Maslen; V. A. Streltsov; N. R. Streltsova; N. Ishizawa Synchrotron X-ray electron density in the layered LaOCl structure Acta Crystallographica Section B, 1996, 52, 576-579 |
| 2101550 | CIF Paper | C11 H12 N2 O2 | P 1 21/c 1 | 11.376; 6.4421; 14.419 90; 90.01; 90 | 1056.7 | Halcrow, M. A.; Powell, H. R.; Duer, M. J. Tautomerism in 3{5}-(dimethoxyphenyl)pyrazoles Acta Crystallographica Section B, 1996, 52, 746-752 |
| 2101551 | CIF Paper | C11 H13 N2 O2.5 | C 1 2/c 1 | 30.524; 8.9917; 8.1542 90; 101.057; 90 | 2196.5 | Halcrow, M. A.; Powell, H. R.; Duer, M. J. Tautomerism in 3{5}-(dimethoxyphenyl)pyrazoles Acta Crystallographica Section B, 1996, 52, 746-752 |
| 2101552 | CIF Paper | C4 H4 F8 N3 O2 P3 | P -1 | 12.392; 16.569; 19.257 110.22; 90.02; 97.1 | 3677.8 | Wang, Z.; Willett, R. D.; Elias, A. J.; Kirchmeier, R. L.; Shreeve, J. M. Structure of the polytypic β-form of P~3~N~3~(OCH~2~CF~2~CF~2~CH~2~O)F~4~ Acta Crystallographica Section B, 1996, 52, 643-650 |
| 2101553 | CIF HKL Paper | C16 H12 Cl F3 N2 O2 S | P 1 21/c 1 | 6.0144; 22.4675; 12.0544 90; 91.224; 90 | 1628.52 | Brock, C. P.; DeLaLuz, P. J.; Golinski, M.; Lloyd, M. A.; Vanaman, T. C.; Watt, D. S. Planarity of nitro-substituted phenothiazines Acta Crystallographica Section B, 1996, 52, 713-719 |
| 2101554 | CIF HKL Paper | C16 H15 Cl N2 O2 S | P 1 21/c 1 | 9.3191; 18.4382; 9.206 90; 104.004; 90 | 1534.8 | Brock, C. P.; DeLaLuz, P. J.; Golinski, M.; Lloyd, M. A.; Vanaman, T. C.; Watt, D. S. Planarity of nitro-substituted phenothiazines Acta Crystallographica Section B, 1996, 52, 713-719 |
| 2101555 | CIF Paper | C12 H5 F3 N2 O2 S | P -1 | 6.9087; 11.9009; 14.3626 85.715; 78.994; 82.86 | 1148.6 | Brock, C. P.; DeLaLuz, P. J.; Golinski, M.; Lloyd, M. A.; Vanaman, T. C.; Watt, D. S. Planarity of nitro-substituted phenothiazines Acta Crystallographica Section B, 1996, 52, 713-719 |
| 2101556 | CIF Paper | Al3 Cl Na4 O12 Si3 | P -4 3 n | 8.882; 8.882; 8.882 90; 90; 90 | 700.7 | McMullan, R. K.; Ghose, S.; Haga, N.; Schomaker, V. Sodalite, Na~4~Si~3~Al~3~O~12~Cl: structure and ionic mobility at high temperatures by neutron diffraction Acta Crystallographica Section B, 1996, 52, 616-627 |
| 2101557 | CIF Paper | C9 H10 Cl2 N2 O | P 1 21/a 1 | 9.191; 14.632; 7.738 90; 101.32; 90 | 1020.38 | Pfefer, G.; Boistelle, R. Experimental and theoretical morphologies of diuron, <i>N</i>'-(3,4-dichlorophenyl)-<i>N</i>,<i>N</i>-dimethylurea Acta Crystallographica, Section B: Structural Science, 1996, 52, 662-667 |
| 2101558 | CIF Paper | C8 H10 O2 | P 1 21/c 1 | 6.386; 11.264; 10.105 90; 103.78; 90 | 705.95 | Yufit, D. S.; Mallinson, P. R.; Muir, K. W.; Kozhushkov, S. I.; De Meijere, A. Experimental charge density study of 7-dispiro[2.0.2.1]heptane carboxylic acid Acta Crystallographica Section B, 1996, 52, 668-676 |
| 2101559 | CIF Paper | O6 Sb2 W | F -1 | 11.132; 9.896; 18.482 90.2; 96.87; 90.21 | 2021.4 | Ling, C. D.; Withers, R. L.; Rae, A. D.; Schmid, S.; Thompson, J. G. Antiferroelectric modulations in Sb~2~WO~6~ and Sb~2~MoO~6~ Acta Crystallographica Section B, 1996, 52, 610-615 |
| 2101560 | CIF Paper | Bi2 Rh | P -1 | 6.743; 7.03; 7.067 104.76; 100.73; 105.79 | 299.74 | Ruck, M. Kristallstruktur und zwillingsbildung der intermetallischen phase β-Bi~2~Rh Acta Crystallographica Section B, 1996, 52, 605-609 |
| 2101561 | CIF Paper | C10 H8 F N O2 | C 1 2/c 1 | 17.294; 13.875; 7.442 90; 103.88; 90 | 1733.6 | Antolić, A.; Kojić-Prodić, B.; Tomić, S.; Nigović, B.; Magnus, V.; Cohen, J. D. Structural studies on monofluorinated derivatives of the phytohormone indole-3-acetic acid (auxin) Acta Crystallographica Section B, 1996, 52, 651-661 |
| 2101562 | CIF Paper | C10 H8 F N O2 | P 1 21/c 1 | 19.284; 5.083; 9.939 90; 117.28; 90 | 865.9 | Antolić, A.; Kojić-Prodić, B.; Tomić, S.; Nigović, B.; Magnus, V.; Cohen, J. D. Structural studies on monofluorinated derivatives of the phytohormone indole-3-acetic acid (auxin) Acta Crystallographica Section B, 1996, 52, 651-661 |
| 2101563 | CIF Paper | C10 H8 F N O2 | P 1 21/a 1 | 9.36; 5.167; 17.751 90; 93.75; 90 | 856.7 | Antolić, A.; Kojić-Prodić, B.; Tomić, S.; Nigović, B.; Magnus, V.; Cohen, J. D. Structural studies on monofluorinated derivatives of the phytohormone indole-3-acetic acid (auxin) Acta Crystallographica Section B, 1996, 52, 651-661 |
| 2101564 | CIF Paper | C10 H8 F N O2 | P 1 21/a 1 | 9.935; 5.0059; 17.61 90; 102.13; 90 | 856.3 | Antolić, A.; Kojić-Prodić, B.; Tomić, S.; Nigović, B.; Magnus, V.; Cohen, J. D. Structural studies on monofluorinated derivatives of the phytohormone indole-3-acetic acid (auxin) Acta Crystallographica Section B, 1996, 52, 651-661 |
| 2101565 | CIF Paper | C12 H12 Br2 O6 | P 1 21/n 1 | 9.622; 7.853; 19.103 90; 93.11; 90 | 1441.3 | Näther, C.; Nagel, N.; Bock, H.; Seitz, W.; Havlas, Z. Structural, kinetic and thermodynamic aspects of the conformational dimorphism of diethyl 3,6-dibromo-2,5-dihydroxyterephthalate Acta Crystallographica Section B, 1996, 52, 697-706 |
| 2101566 | CIF Paper | C12 H12 Br2 O6 | P 1 21/c 1 | 8.267; 25.037; 7.526 90; 113.44; 90 | 1429.2 | Näther, C.; Nagel, N.; Bock, H.; Seitz, W.; Havlas, Z. Structural, kinetic and thermodynamic aspects of the conformational dimorphism of diethyl 3,6-dibromo-2,5-dihydroxyterephthalate Acta Crystallographica Section B, 1996, 52, 697-706 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!