Information card for entry 4509577

Structure parameters

• Formula: C20 H30 N2 Ni O14 S2
• Calculated formula: C20 H30 N2 Ni O14 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: 7.8267 ± 0.0002 Å
• b: 11.3064 ± 0.0003 Å
• c: 15.6709 ± 0.0005 Å
• α: 90°
• β: 98.114 ± 0.002°
• γ: 90°
• Cell volume: 1372.86 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0653
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No