Information card for entry 4306591

Structure parameters

• Formula: C45 H57 B N4 O5 Zn2
• Calculated formula: C45 H57 B N4 O5 Zn2
• SMILES: [Zn]1234[O]5[Zn]6([NH](Cc7c5c(cc(c7)C)C[NH]1CC[N]2(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: 12.0901 ± 0.0004 Å
• b: 13.8395 ± 0.0004 Å
• c: 15.8316 ± 0.0005 Å
• α: 114.808 ± 0.003°
• β: 92.928 ± 0.003°
• γ: 112.364 ± 0.003°
• Cell volume: 2152.45 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1321
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.1866
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No