Information card for entry 1517581

Structure parameters

• Formula: C16 H21 Cu N O5
• Calculated formula: C16 H21 Cu N O5
• 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: 12.1599 ± 0.0004 Å
• b: 10.6507 ± 0.0003 Å
• c: 14.7652 ± 0.0005 Å
• α: 90°
• β: 104.768 ± 0.003°
• γ: 90°
• Cell volume: 1849.09 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0693
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No