Information card for entry 1517596

Structure parameters

• Formula: C72 H78 N6 O18 Zn3
• Calculated formula: C72 H78 N6 O18 Zn3
• 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: 12.158 ± 0.0005 Å
• b: 14.0426 ± 0.0005 Å
• c: 25.9262 ± 0.0008 Å
• α: 90°
• β: 127.589 ± 0.001°
• γ: 90°
• Cell volume: 3507.5 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0683
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No