Information card for entry 8102124

Structure parameters

• Chemical name: μ-aqua-(bis(μ-2-nitrobenzoato-κ^2^O:O')(bis(2-nitrobenzoato- κO)tetrakis[(pyridine-κN)]dicopper(II)
• Formula: C48 H38 Cu2 N8 O17
• Calculated formula: C48 H38 Cu2 N8 O17
• Title of publication: Crystal structure of μ-aqua-bis(μ-2-nitrobenzoato-κ ^2^O:O')(bis(2-nitrobenzoato-κO)tetrakis(pyridine-κN)- dicopper(II), Cu~2~(H~2~O)(C~5~H~5~N)~4~(C~7~H~4~NO~4~)~4~
• Authors of publication: Cai, Wen-Xuan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 3
• Pages of publication: 217 - 218
• a: 16.01 ± 0.003 Å
• b: 13.516 ± 0.003 Å
• c: 23.694 ± 0.005 Å
• α: 90°
• β: 99.82 ± 0.03°
• γ: 90°
• Cell volume: 5052.1 ± 1.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.117
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.2304
• Weighted residual factors for all reflections included in the refinement: 0.2563
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No