Information card for entry 7009757

Structure parameters

• Formula: C35 H52 Cl2 N6 Ni O10
• Calculated formula: C35 H52 Cl2 N6 Ni O10
• Title of publication: Supramolecular assemblies from ditopic ligands and transition metal salts †
• Authors of publication: Miller, Hamish A.; Laing, Norman; Parsons, Simon; Parkin, Andrew; Tasker, Peter A.; White, David J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 21
• Pages of publication: 3773
• a: 16.5599 ± 0.0016 Å
• b: 14.2742 ± 0.0014 Å
• c: 16.7199 ± 0.0016 Å
• α: 90°
• β: 91.773 ± 0.007°
• γ: 90°
• Cell volume: 3950.3 ± 0.7 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.1061
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No