Information card for entry 1563577

Structure parameters

• Formula: C13 H11 N Ni O6
• Calculated formula: C13 H11 N Ni O6
• Title of publication: Diversity of coordination modes in the polymers based on 3,3′,4,4′-biphenylcarboxylate ligand
• Authors of publication: Du, Xiao-Di; Xiao, Hong-Ping; Zhou, Xin-Hui; Wu, Tao; You, Xiao-Zeng
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2010
• Journal volume: 183
• Journal issue: 6
• Pages of publication: 1464 - 1472
• a: 7.462 ± 0.002 Å
• b: 21.421 ± 0.006 Å
• c: 9.2465 ± 0.0018 Å
• α: 90°
• β: 122.601 ± 0.014°
• γ: 90°
• Cell volume: 1245.1 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.2092
• Weighted residual factors for all reflections included in the refinement: 0.2131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.259
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No