Information card for entry 7053551

Structure parameters

• Formula: C67.2 H108.2 K2 N4 Ni4 O42
• Calculated formula: C67.2 H107.6 K2 N4 Ni4 O42
• Title of publication: Alkali metal ion directed self-assembled Ni(ii) molecular clusters
• Authors of publication: Leong, Wei Lee; Vittal, Jagadese J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 10
• Pages of publication: 2145
• a: 22.5549 ± 0.0016 Å
• b: 12.9601 ± 0.0009 Å
• c: 15.0085 ± 0.001 Å
• α: 90°
• β: 105.823 ± 0.002°
• γ: 90°
• Cell volume: 4221 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No