Information card for entry 8101699

Structure parameters

• Chemical name: bis[diaqua(1,10-phenanthroline)(μ-4-sulfobenzoato)cadmium(II)]
• Formula: C38 H32 Cd2 N4 O14 S2
• Calculated formula: C38 H32 Cd2 N4 O14 S2
• Title of publication: Crystal structure of bis[diaqua(1,10-phenanthroline)(μ-4-sulfobenzoato) cadmium(II)], [Cd(H~2~O)~2~(C~12~H~8~N~2~)(C~7~H~4~O~5~S)]~2~
• Authors of publication: S.-R. Fan; L.-P. Zhang; H.-P. Xiao; G.-Q. Cai; L.-G. Zhu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 1
• Pages of publication: 69 - 70
• a: 8.2384 ± 0.0008 Å
• b: 10.1299 ± 0.0009 Å
• c: 12.9685 ± 0.0012 Å
• α: 102 ± 0.002°
• β: 101.049 ± 0.002°
• γ: 113.453 ± 0.001°
• Cell volume: 924.65 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0533
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.261
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No