Crystallography Open Database
Search results
Result: there are 10718 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
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.
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 |
|---|---|---|---|---|---|---|
| 2100688 | CIF Paper | C32 H39.5 N4 O12.75 | P 1 21 1 | 7.536; 11.092; 19.54 90; 98.55; 90 | 1615.2 | A. Bialonska; Z. Ciunik Hydrophobic `lock and key' recognition of <i>N</i>-4-nitrobenzoylamino acid by strychnine Acta Crystallographica Section B, 2006, 62, 1061-1070 |
| 2100689 | CIF Paper | C32 H36.5 N4 O11.25 | P 21 21 21 | 8.197; 9.967; 36.351 90; 90; 90 | 2969.9 | A. Bialonska; Z. Ciunik Hydrophobic `lock and key' recognition of <i>N</i>-4-nitrobenzoylamino acid by strychnine Acta Crystallographica Section B, 2006, 62, 1061-1070 |
| 2100690 | CIF Paper | Ba2 O8 Si2 Ti | X4bm | 8.5353; 8.5353; 10.4128 90; 90; 90 | 758.586 | L. Bindi; M. Dusek; V. Petricek; P. Bonazzi Superspace-symmetry determination and multidimensional refinement of the incommensurately modulated structure of natural fresnoite Acta Crystallographica Section B, 2006, 62, 1031-1037 |
| 2100691 | CIF Paper | C49 H92 O6 | P 1 21/n 1 | 5.4534; 112.747; 8.19543 90; 88.838; 90 | 5037.96 | van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk. Structures of mono-unsaturated triacylglycerols. I. The β~1~ polymorph Acta Crystallographica Section B, 2006, 62, 1121-1130 |
| 2100692 | CIF Paper | C53 H100 O6 | P 1 21/n 1 | 5.45004; 121.319; 8.209 90; 88.851; 90 | 5426.6 | van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk. Structures of mono-unsaturated triacylglycerols. I. The β~1~ polymorph Acta Crystallographica Section B, 2006, 62, 1121-1130 |
| 2100693 | CIF Paper | C55 H108 O6 | P 1 21/n 1 | 5.44713; 125.97; 8.212 90; 88.8457; 90 | 5633.7 | van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk. Structures of mono-unsaturated triacylglycerols. I. The β~1~ polymorph Acta Crystallographica Section B, 2006, 62, 1121-1130 |
| 2100694 | CIF Paper | C57 H108 O6 | P 1 21/n 1 | 5.44231; 129.903; 8.1837 90; 88.7141; 90 | 5784.2 | van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk. Structures of mono-unsaturated triacylglycerols. I. The β~1~ polymorph Acta Crystallographica Section B, 2006, 62, 1121-1130 |
| 2100695 | CIF Paper | C55 H104 O6 | P 1 21/n 1 | 5.44501; 125.976; 8.19539 90; 88.7912; 90 | 5620.3 | van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk. Structures of mono-unsaturated triacylglycerols. I. The β~1~ polymorph Acta Crystallographica Section B, 2006, 62, 1121-1130 |
| 2100696 | CIF Paper | C59 H112 O6 | P 1 21/n 1 | 5.4393; 134.645; 8.1996 90; 88.7349; 90 | 6003.7 | van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk. Structures of mono-unsaturated triacylglycerols. I. The β~1~ polymorph Acta Crystallographica Section B, 2006, 62, 1121-1130 |
| 2100697 | CIF Paper | C54.96 H108 O6 | P 1 21/n 1 | 5.44442; 127.399; 8.1951 90; 88.7123; 90 | 5682.8 | van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk. Structures of mono-unsaturated triacylglycerols. I. The β~1~ polymorph Acta Crystallographica Section B, 2006, 62, 1121-1130 |
| 2100698 | CIF Paper | C55 H108 O6 | P 1 21/n 1 | 5.44779; 128.71; 8.20093 90; 88.614; 90 | 5748.7 | van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk. Structures of mono-unsaturated triacylglycerols. I. The β~1~ polymorph Acta Crystallographica Section B, 2006, 62, 1121-1130 |
| 2100699 | CIF Paper | C57 H108 O6 | C 1 c 1 | 5.44014; 130.295; 8.2209 90; 88.7547; 90 | 5825.8 | van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk. Structures of mono-unsaturated triacylglycerols. II. The β~2~ polymorph Acta Crystallographica Section B, 2006, 62, 1131-1138 |
| 2100700 | CIF HKL Paper | C55 H108 O6 | C 1 c 1 | 5.44219; 127.638; 8.21365 90; 88.6936; 90 | 5704 | van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk. Structures of mono-unsaturated triacylglycerols. II. The β~2~ polymorph Acta Crystallographica Section B, 2006, 62, 1131-1138 |
| 2100701 | CIF HKL Paper | C53 H100 O6 | C 1 c 1 | 5.44708; 121.622; 8.2196 90; 88.7785; 90 | 5444.1 | van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk. Structures of mono-unsaturated triacylglycerols. II. The β~2~ polymorph Acta Crystallographica Section B, 2006, 62, 1131-1138 |
| 2100702 | CIF HKL Paper | C55 H104 O6 | C 1 c 1 | 5.4243; 126.529; 8.1206 90; 88.51; 90 | 5571.5 | van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk. Structures of mono-unsaturated triacylglycerols. II. The β~2~ polymorph Acta Crystallographica Section B, 2006, 62, 1131-1138 |
| 2100703 | CIF HKL Paper | C59 H112 O6 | C 1 c 1 | 5.4375; 135.29; 8.213 90; 88.644; 90 | 6040.1 | van Mechelen, Jan B.; Peschar, Rene.; Schenk, Henk. Structures of mono-unsaturated triacylglycerols. II. The β~2~ polymorph Acta Crystallographica Section B, 2006, 62, 1131-1138 |
| 2100704 | CIF Paper | Ni4 Ti3 | R -3 :R | 6.6695; 6.6695; 6.6695 113.838; 113.838; 113.838 | 182.39 | Tirry, Wim; Schryvers, Dominique; Jorissen, Kevin; Lamoen, Dirk Electron-diffraction structure refinement of Ni~4~Ti~3~ precipitates in Ni~52~Ti~48~ Acta Crystallographica Section B, 2006, 62, 966-971 |
| 2100705 | CIF Paper | D9 Ni2 Zr4 | P -1 | 6.8156; 8.85137; 8.88007 79.8337; 90.0987; 90.3634 | 527.29 | Sørby, Magnus H.; Fjellvåg, Helmer; Hauback, Bjørn C.; Gunnaes, Anette E.; Løvvik, Ole Martin The crystal structure of Zr~2~NiD~4.5~ Acta Crystallographica Section B, 2006, 62, 972-978 |
| 2100706 | CIF Paper | C12 H18 N4 O2 | Xmcm(0\b0)s0s | 10.3474; 7.0763; 16.8321 90; 90; 90 | 1232.47 | Rodriguez, Soraya MAria Belluga; Palatinus, Lukas; Chapuis, Gervais Growth-induced incommensurability observed in the organic co-crystal hexamethylenetetramine resorcinol Acta Crystallographica Section B, 2006, 62, 1043-1050 |
| 2100707 | CIF HKL Paper | C7 H7 N O2 | P 1 21/n 1 | 10.346; 5.0294; 13.478 90; 112.21; 90 | 649.3 | P. A. Wood; R. S. Forgan; D. Henderson; S. Parsons; E. Pidcock; P. A. Tasker; J. E. Warren Effect of pressure on the crystal structure of salicylaldoxime-I, and the structure of salicylaldoxime-II at 5.93GPa Acta Crystallographica Section B, 2006, 62, 1099-1111 |
| 2100708 | CIF HKL Paper | C7 H7 N O2 | P 1 21/n 1 | 10.1833; 4.9766; 13.0109 90; 111.938; 90 | 611.62 | P. A. Wood; R. S. Forgan; D. Henderson; S. Parsons; E. Pidcock; P. A. Tasker; J. E. Warren Effect of pressure on the crystal structure of salicylaldoxime-I, and the structure of salicylaldoxime-II at 5.93GPa Acta Crystallographica Section B, 2006, 62, 1099-1111 |
| 2100709 | CIF HKL Paper | C7 H7 N O2 | P 1 21/n 1 | 9.851; 4.9325; 12.286 90; 111.09; 90 | 557 | P. A. Wood; R. S. Forgan; D. Henderson; S. Parsons; E. Pidcock; P. A. Tasker; J. E. Warren Effect of pressure on the crystal structure of salicylaldoxime-I, and the structure of salicylaldoxime-II at 5.93GPa Acta Crystallographica Section B, 2006, 62, 1099-1111 |
| 2100710 | CIF HKL Paper | C7 H7 N O2 | P 1 21/n 1 | 9.7148; 4.9322; 12.0145 90; 110.607; 90 | 538.84 | P. A. Wood; R. S. Forgan; D. Henderson; S. Parsons; E. Pidcock; P. A. Tasker; J. E. Warren Effect of pressure on the crystal structure of salicylaldoxime-I, and the structure of salicylaldoxime-II at 5.93GPa Acta Crystallographica Section B, 2006, 62, 1099-1111 |
| 2100711 | CIF HKL Paper | C7 H7 N O2 | P 1 21/n 1 | 9.5728; 4.9342; 11.7537 90; 110.064; 90 | 521.48 | P. A. Wood; R. S. Forgan; D. Henderson; S. Parsons; E. Pidcock; P. A. Tasker; J. E. Warren Effect of pressure on the crystal structure of salicylaldoxime-I, and the structure of salicylaldoxime-II at 5.93GPa Acta Crystallographica Section B, 2006, 62, 1099-1111 |
| 2100712 | CIF HKL Paper | C7 H7 N O2 | P 1 21/n 1 | 9.513; 4.9319; 11.63 90; 109.859; 90 | 513.2 | P. A. Wood; R. S. Forgan; D. Henderson; S. Parsons; E. Pidcock; P. A. Tasker; J. E. Warren Effect of pressure on the crystal structure of salicylaldoxime-I, and the structure of salicylaldoxime-II at 5.93GPa Acta Crystallographica Section B, 2006, 62, 1099-1111 |
| 2100713 | CIF HKL Paper | C7 H7 N O2 | P 1 21/n 1 | 7.677; 5.7731; 12.159 90; 110.62; 90 | 504.4 | P. A. Wood; R. S. Forgan; D. Henderson; S. Parsons; E. Pidcock; P. A. Tasker; J. E. Warren Effect of pressure on the crystal structure of salicylaldoxime-I, and the structure of salicylaldoxime-II at 5.93GPa Acta Crystallographica Section B, 2006, 62, 1099-1111 |
| 2100714 | CIF Paper | C6 H5 O2 | P -1 | 3.7615; 5.6996; 5.9065 110.8; 91.164; 91.443 | 118.28 | Krešimir Molčanov; Mario Roboz; Biserka Kojić-Prodić Structural characterization of <i>p</i>-benzosemiquinone radical in a solid state: the radical stabilization by a low-barrier hydrogen bond Acta Crystallographica Section B, 2006, 62, 1051-1060 |
| 2100715 | CIF Paper | C6 H5 O2 | P 1 21/c 1 | 3.8362; 5.998; 11.5007 90; 108.79; 90 | 250.52 | Krešimir Molčanov; Mario Roboz; Biserka Kojić-Prodić Structural characterization of <i>p</i>-benzosemiquinone radical in a solid state: the radical stabilization by a low-barrier hydrogen bond Acta Crystallographica Section B, 2006, 62, 1051-1060 |
| 2100716 | CIF Paper | C6 H5 O2 | P 1 21/c 1 | 3.77; 5.98; 11.458 90; 109.99; 90 | 242.8 | Krešimir Molčanov; Mario Roboz; Biserka Kojić-Prodić Structural characterization of <i>p</i>-benzosemiquinone radical in a solid state: the radical stabilization by a low-barrier hydrogen bond Acta Crystallographica Section B, 2006, 62, 1051-1060 |
| 2100717 | CIF Paper | C6 H5 O2 | P -1 | 3.8291; 5.7546; 5.9771 111.121; 89.936; 92.453 | 122.73 | Krešimir Molčanov; Mario Roboz; Biserka Kojić-Prodić Structural characterization of <i>p</i>-benzosemiquinone radical in a solid state: the radical stabilization by a low-barrier hydrogen bond Acta Crystallographica Section B, 2006, 62, 1051-1060 |
| 2100718 | CIF Paper | S8 | P 1 21 1 | 10.8125; 10.7232; 10.6883 90; 95.746; 90 | 1233.02 | W. I. F. David; R. M. Ibberson; S. F. J. Cox; P. T. Wood Order-disorder transition in monoclinic sulfur: a precise structural study by high-resolution neutron powder diffraction Acta Crystallographica, Section B, 2006, 62, 953-959 |
| 2100719 | CIF Paper | Ba0.67 Nb2 O6 Sr0.33 | P 4 b m | 12.484; 12.484; 3.9742 90; 90; 90 | 619.38 | Podlozhenov, Sergey; Graetsch, Heribert A.; Schneider, Julius; Ulex, Michael; Woehlecke, Manfred; Betzler, Klaus Structure of strontium barium niobate Sr~<i>x~</i>Ba~1{-~<i>x</i>}Nb~2~O~6~ (SBN) in the composition range 0.32 {łeq} <i>x</i> {łeq} 0.82 Acta Crystallographica Section B, 2006, 62, 960-965 |
| 2100720 | CIF Paper | Ba0.52 Nb2 O6 Sr0.48 | P 4 b m | 12.4844; 12.4844; 3.9572 90; 90; 90 | 616.77 | Podlozhenov, Sergey; Graetsch, Heribert A.; Schneider, Julius; Ulex, Michael; Woehlecke, Manfred; Betzler, Klaus Structure of strontium barium niobate Sr~<i>x~</i>Ba~1{-~<i>x</i>}Nb~2~O~6~ (SBN) in the composition range 0.32 {łeq} <i>x</i> {łeq} 0.82 Acta Crystallographica Section B, 2006, 62, 960-965 |
| 2100721 | CIF Paper | Ba0.39 Nb2 O6 Sr0.61 | P 4 b m | 12.4575; 12.4575; 3.9382 90; 90; 90 | 611.17 | Podlozhenov, Sergey; Graetsch, Heribert A.; Schneider, Julius; Ulex, Michael; Woehlecke, Manfred; Betzler, Klaus Structure of strontium barium niobate Sr~<i>x~</i>Ba~1{-~<i>x</i>}Nb~2~O~6~ (SBN) in the composition range 0.32 {łeq} <i>x</i> {łeq} 0.82 Acta Crystallographica Section B, 2006, 62, 960-965 |
| 2100722 | CIF Paper | Ba0.14 Nb2 O6 Sr0.86 | P 4 b m | 12.4179; 12.4179; 3.9074 90; 90; 90 | 602.54 | Podlozhenov, Sergey; Graetsch, Heribert A.; Schneider, Julius; Ulex, Michael; Woehlecke, Manfred; Betzler, Klaus Structure of strontium barium niobate Sr~<i>x~</i>Ba~1{-~<i>x</i>}Nb~2~O~6~ (SBN) in the composition range 0.32 {łeq} <i>x</i> {łeq} 0.82 Acta Crystallographica Section B, 2006, 62, 960-965 |
| 2100723 | CIF HKL Paper | Ba Ge O3 | C 1 2/c 1 | 13.18949; 7.62045; 11.71698 90; 112.278; 90 | 1089.76 | Toebbens, Daniel M.; Kahlenberg, Volker; Gspan, Christian; Kothleitner, Gerhard Atomic and domain structure of the low-temperature phase of barium metagermanate (BaGeO~3~) Acta Crystallographica Section B, 2006, 62, 1002-1009 |
| 2100724 | CIF Paper | C42 H48 As2 F12 O12 | P -1 | 10.1564; 11.0323; 11.9157 77.841; 65.935; 76.633 | 1175.8 | Olovsson, G.; Olovsson, I. Structure of the organic semiconducting radical cation salt tris(2,3,6,7-tetramethoxynaphthalene) bis(hexafluoroarsenate) Acta Crystallographica Section B, 1991, 47, 355-362 |
| 2100725 | CIF Paper | Mo8 O24 Pb3 | P 4/m n c | 9.615; 9.615; 11.362 90; 90; 90 | 1050.4 | Wang, S.-L.; Yeh, J.-Y. Pb^2+^ cation ordering in Pb~3~(Mo~4~O~6~)~4~ Acta Crystallographica Section B, 1991, 47, 446-451 |
| 2100726 | CIF Paper | Mo16 O24 Pb3 | P 4/m n c | 9.615; 9.615; 11.362 90; 90; 90 | 1050.4 | Wang, S.-L.; Yeh, J.-Y. Pb^2+^ cation ordering in Pb~3~(Mo~4~O~6~)~4~ Acta Crystallographica Section B, 1991, 47, 446-451 |
| 2100727 | CIF Paper | Al11 Na O17 | P 63/m m c | 5.5929; 5.5929; 22.526 90; 90; 120 | 704.63 | Edström, K.; Thomas, J. O.; Farrington, G. C. Structural aspects of the Na^+^ →Cd^2+^ ion-exchange process in Na^+^ β-alumina Acta Crystallographica Section B, 1991, 47, 635-643 |
| 2100728 | CIF Paper | Al11 Cd0.11 Na O17.11 | P63/mmc | 5.5921; 5.5921; 22.526 90; 90; 120 | 610.05 | Edström, K.; Thomas, J. O.; Farrington, G. C. Structural aspects of the Na^+^ →Cd^2+^ ion-exchange process in Na^+^ β-alumina Acta Crystallographica Section B, 1991, 47, 635-643 |
| 2100729 | CIF Paper | Al11 Cd0.225 Na0.77 O17.11 | P63/mmc | 5.5906; 5.5906; 22.519 90; 90; 120 | 609.53 | Edström, K.; Thomas, J. O.; Farrington, G. C. Structural aspects of the Na^+^ →Cd^2+^ ion-exchange process in Na^+^ β-alumina Acta Crystallographica Section B, 1991, 47, 635-643 |
| 2100730 | CIF Paper | Al11 Cd0.61 O17.11 | P 63/m m c | 5.5869; 5.5869; 22.37 90; 90; 120 | 698.24 | Edström, K.; Thomas, J. O.; Farrington, G. C. Structural aspects of the Na^+^ →Cd^2+^ ion-exchange process in Na^+^ β-alumina Acta Crystallographica Section B, 1991, 47, 635-643 |
| 2100731 | CIF Paper | Ag Al11 O17.11 | P 63/m m c | 5.5914; 5.5914; 22.43 90; 90; 120 | 701.25 | Edström, K.; Thomas, J. O.; Farrington, G. C. A single-crystal X-ray diffraction study of the ion exchange of Cd^2+^ into Ag^+^ β-alumina Acta Crystallographica Section B, 1991, 47, 643-650 |
| 2100732 | CIF Paper | Ag Al11 Cd O17.11 | P 63/m m c | 5.6032; 5.6032; 22.504 90; 90; 120 | 706.53 | Edström, K.; Thomas, J. O.; Farrington, G. C. A single-crystal X-ray diffraction study of the ion exchange of Cd^2+^ into Ag^+^ β-alumina Acta Crystallographica Section B, 1991, 47, 643-650 |
| 2100733 | CIF Paper | Ag Al11 Cd O17.11 | P 63/m m c | 5.5959; 5.5959; 22.458 90; 90; 120 | 703.25 | Edström, K.; Thomas, J. O.; Farrington, G. C. A single-crystal X-ray diffraction study of the ion exchange of Cd^2+^ into Ag^+^ β-alumina Acta Crystallographica Section B, 1991, 47, 643-650 |
| 2100734 | CIF Paper | Ag Al11 Cd O17.11 | P 63/m m c | 5.5896; 5.5896; 22.434 90; 90; 120 | 700.9 | Edström, K.; Thomas, J. O.; Farrington, G. C. A single-crystal X-ray diffraction study of the ion exchange of Cd^2+^ into Ag^+^ β-alumina Acta Crystallographica Section B, 1991, 47, 643-650 |
| 2100735 | CIF Paper | Ag Al11 Cd O17.11 | P 63/m m c | 5.59; 5.59; 22.396 90; 90; 120 | 699.8 | Edström, K.; Thomas, J. O.; Farrington, G. C. A single-crystal X-ray diffraction study of the ion exchange of Cd^2+^ into Ag^+^ β-alumina Acta Crystallographica Section B, 1991, 47, 643-650 |
| 2100736 | CIF Paper | Al0.1 N1.96 O1.1 Si1.9 | C m c 21 | 8.894; 5.4978; 4.8582 90; 90; 90 | 237.55 | Lindqvist, O.; Sjöberg, J.; Hull, S.; Pompe, R. Structural changes in O'-sialons, Si~2{-~<i>x</i>}Al~<i>x~</i>N~2{-~<i>x</i>}O~1+<i>x~</i>, 0.04 {łeq} <i>x</i> {łeq} 0.40 Acta Crystallographica Section B, 1991, 47, 672-678 |
| 2100737 | CIF Paper | Al0.16 N1.84 O1.16 Si1.84 | C m c 21 | 8.8967; 5.4947; 4.8581 90; 90; 90 | 237.49 | Lindqvist, O.; Sjöberg, J.; Hull, S.; Pompe, R. Structural changes in O'-sialons, Si~2{-~<i>x</i>}Al~<i>x~</i>N~2{-~<i>x</i>}O~1+<i>x~</i>, 0.04 {łeq} <i>x</i> {łeq} 0.40 Acta Crystallographica Section B, 1991, 47, 672-678 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!