Information card for entry 8102296

Structure parameters

• Formula: C18 H24 Cu N2 O16 S2
• Calculated formula: C18 H24 Cu N2 O16 S2
• Title of publication: Crystal structure of tetraaqua-cis-bis(4-(sulfonylglycinato)benzoato)copper(II), Cu(H2O)4(C9H8NO6S)2
• Authors of publication: Shuai Yuan; Xiao-Dong Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 3
• Pages of publication: 267
• a: 5.181 ± 0.002 Å
• b: 5.655 ± 0.003 Å
• c: 21.236 ± 0.01 Å
• α: 83.634 ± 0.006°
• β: 87.427 ± 0.006°
• γ: 84.985 ± 0.005°
• Cell volume: 615.6 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No