Information card for entry 4330413

Structure parameters

• Formula: C28 H22 N4 Ni O6 S
• Calculated formula: C28 H22 N4 Ni 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: 12.0936 ± 0.0012 Å
• b: 22.276 ± 0.002 Å
• c: 23.385 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6299.8 ± 1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 22
• Hermann-Mauguin space group symbol: F 2 2 2
• Hall space group symbol: F 2 2
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No