Information card for entry 7019670

Structure parameters

• Formula: C42.2 H46.9 B4 F16 N8.3 O0.4 Zn2
• Calculated formula: C42.2 H46.9 B4 F16 N8.3 O0.4 Zn2
• 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: 8.889 ± 0.004 Å
• b: 17.062 ± 0.008 Å
• c: 18.513 ± 0.008 Å
• α: 64.89 ± 0.02°
• β: 78.41 ± 0.02°
• γ: 89.91 ± 0.02°
• Cell volume: 2479 ± 2 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 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: 0.1051
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No