Information card for entry 1517606

Structure parameters

• Formula: C6 H8 Cu N2 O4 S
• Calculated formula: C6 H8 Cu N2 O4 S
• 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: 7.617 ± 0.0006 Å
• b: 12.6984 ± 0.0008 Å
• c: 19.1943 ± 0.0014 Å
• α: 90°
• β: 100.373 ± 0.008°
• γ: 90°
• Cell volume: 1826.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1088
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.1985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No