Information card for entry 8101849

Structure parameters

• Chemical name: trans-diaquabis(pyridine-2-carboxamide-N,O)nickel dibromide
• Formula: C12 H16 Br2 N4 Ni O4
• Calculated formula: C12 H16 Br2 N4 Ni O4
• Title of publication: Crystal structure of trans-diaquabis(pyridine-2-carboxamide-N,O)nickel (II) dibromide, [Ni(H~2~O)~2~{(OC(NH~2~)(C~5~H~4~N)}~2~]Br~2~
• Authors of publication: Du, Q.-Y.; Li, Y.-P.; Xin, L.-Y.; Han, M.-L.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 4
• Pages of publication: 539 - 540
• a: 6.4942 ± 0.0006 Å
• b: 10.2918 ± 0.001 Å
• c: 12.8293 ± 0.0012 Å
• α: 90°
• β: 94.535 ± 0.001°
• γ: 90°
• Cell volume: 854.79 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0192
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No