Information card for entry 1562040

Structure parameters

• Common name: C22 H27 Br2 N4 Ni O10.50
• Formula: C22 H27 Br2 N4 Ni O10.5
• Calculated formula: C22 H18 Br2 N4 Ni O10.5
• Title of publication: Syntheses, crystal structures, and properties of new metal‒5-bromonicotinate coordination polymers
• Authors of publication: Li, Wenjie; Li, Guoting; Lv, Lulu; Zhao, Hong; Wu, Benlai
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 225
• Pages of publication: 297 - 304
• a: 9.5038 ± 0.0006 Å
• b: 13.1974 ± 0.0008 Å
• c: 13.3924 ± 0.0008 Å
• α: 63.396 ± 0.006°
• β: 82.883 ± 0.005°
• γ: 72.256 ± 0.005°
• Cell volume: 1430.3 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No