Information card for entry 4509580

Structure parameters

• Formula: C20 H22 N2 Ni O10 S2
• Calculated formula: C20 H22 N2 Ni O10 S2
• Title of publication: Temperature-Controlled Synthesis of Metal-Organic Coordination Polymers: Crystal Structure, Supramolecular Isomerism, and Porous Property
• Authors of publication: Kanoo, Prakash; K. L., Gurunatha; Maji, Tapas Kumar
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 4147
• a: 13.6515 ± 0.0003 Å
• b: 11.236 ± 0.0003 Å
• c: 15.9913 ± 0.0004 Å
• α: 90°
• β: 108.613 ± 0.002°
• γ: 90°
• Cell volume: 2324.58 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.064
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No