Information card for entry 4330417

Structure parameters

• Formula: C21 H15 Cd N2 O6 S
• Calculated formula: C21 H15 Cd N2 O6 S
• Title of publication: Spontaneous Resolution of a Mixed-Ligand Nickel(II) Coordination Polymer with Achiral Precursors
• Authors of publication: Kamal Kumar Bisht; Eringathodi Suresh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9577 - 9579
• a: 6.9316 ± 0.0016 Å
• b: 13.157 ± 0.003 Å
• c: 13.476 ± 0.003 Å
• α: 110.34 ± 0.003°
• β: 99.638 ± 0.004°
• γ: 93.412 ± 0.004°
• Cell volume: 1126.9 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0423
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No