Information card for entry 8102349

Structure parameters

• Formula: C22 H32 Cd N6 O12 S4
• Calculated formula: C22 H32 Cd N6 O12 S4
• Title of publication: Crystal structure of diaqua-bis(4,4'-dipyridyldisulfide)cadmium(II) dinitrate - methanol - water (1:2:2), [Cd(C10H8N2S2)2(H2O)2][NO3]2 · 2CH3OH · 2H2O
• Authors of publication: Long Yan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 533
• a: 9.502 ± 0.0012 Å
• b: 19.628 ± 0.002 Å
• c: 9.7525 ± 0.0013 Å
• α: 90°
• β: 110.245 ± 0.002°
• γ: 90°
• Cell volume: 1706.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No