Information card for entry 7019665

Structure parameters

• Formula: C51 H58.5 Cl4 N13.5 Ni2 O16
• Calculated formula: C51 H58.5 Cl4 N13.5 Ni2 O16
• Title of publication: Solvent control: dinuclear versus tetranuclear complexes of a bis-tetradentate pyrimidine-based ligand.
• Authors of publication: Gobeze, Worku A.; Milway, Victoria A.; Moubaraki, Boujemaa; Murray, Keith S.; Brooker, Sally
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 32
• Pages of publication: 9708 - 9721
• a: 14.1623 ± 0.0012 Å
• b: 11.1055 ± 0.0008 Å
• c: 19.3952 ± 0.0017 Å
• α: 90°
• β: 91.551 ± 0.005°
• γ: 90°
• Cell volume: 3049.3 ± 0.4 ų
• Cell temperature: 92 ± 2 K
• Ambient diffraction temperature: 92 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No