Information card for entry 7019669

Structure parameters

• Formula: C84 H100 B4 F20 N16 Ni4 O4
• Calculated formula: C84 H100 B4 F20 N16 Ni4 O4
• 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: 11.7366 ± 0.0008 Å
• b: 14.644 ± 0.0008 Å
• c: 15.0144 ± 0.0008 Å
• α: 68.536 ± 0.002°
• β: 71.171 ± 0.002°
• γ: 70.824 ± 0.002°
• Cell volume: 2207.3 ± 0.2 ų
• Cell temperature: 92 ± 2 K
• Ambient diffraction temperature: 92 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No