Information card for entry 4306590

Structure parameters

• Formula: C47 H61 B N4 O5 Zn2
• Calculated formula: C47 H61 B N4 O5 Zn2
• SMILES: [Zn]1234[O]5[Zn]6([N](Cc7c5c(cc(c7)C)C[N]1(C)CC[N]2(C)C)(C)CC[N]6(C)C)(OC(=[O]3)C)[O]=C(O4)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 14.4166 ± 0.00014 Å
• b: 14.49629 ± 0.00012 Å
• c: 22.1772 ± 0.0002 Å
• α: 90°
• β: 95.1419 ± 0.0009°
• γ: 90°
• Cell volume: 4616.1 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0572
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No