Information card for entry 1517597

Structure parameters

• Formula: C22 H36 N2 Ni O12
• Calculated formula: C22 H36 N2 Ni O12
• Title of publication: Influential factors on assembly of first-row transition metal coordination polymers
• Authors of publication: Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 403
• Pages of publication: 53 - 62
• a: 7.1977 ± 0.0003 Å
• b: 7.2645 ± 0.0004 Å
• c: 12.8111 ± 0.0007 Å
• α: 81.631 ± 0.004°
• β: 83.686 ± 0.004°
• γ: 78.332 ± 0.004°
• Cell volume: 646.79 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No