Information card for entry 4306592

Structure parameters

• Formula: C45 H53 B N4 O5 Zn2
• Calculated formula: C45 H53 B N4 O5 Zn2
• Title of publication: Dinuclear Zinc Complexes Using Pentadentate Phenolate Ligands
• Authors of publication: Paul D. Knight; Andrew J. P. White; Charlotte K. Williams
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11711 - 11719
• a: 14.9091 ± 0.00011 Å
• b: 21.03283 ± 0.00013 Å
• c: 27.56843 ± 0.00016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8644.92 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No