Information card for entry 4330415

Structure parameters

• Formula: C21 H15 Co N2 O6 S
• Calculated formula: C21 H15 Co 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: 7.097 ± 0.002 Å
• b: 12.877 ± 0.005 Å
• c: 13.116 ± 0.005 Å
• α: 109.74 ± 0.006°
• β: 102.105 ± 0.006°
• γ: 92.279 ± 0.006°
• Cell volume: 1095.1 ± 0.7 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: 0.0846
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No