Information card for entry 4115870

Structure parameters

• Common name: [Zn2(OH)(Ph2PO2)(BPAN)](ClO4)2 (5.H2O).
• Formula: C36 H39 Cl2 N6 O12 P Zn2
• Calculated formula: C36 H29 Cl2 N6 O12 P Zn2
• Title of publication: Modeling Carboxylate-Bridged Dinuclear Active Sites in Metalloenzymes Using a Novel Naphthyridine-Based Dinucleating Ligand
• Authors of publication: Chuan He; Stephen J. Lippard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 184 - 185
• a: 14.6962 ± 0.0006 Å
• b: 14.7253 ± 0.0007 Å
• c: 20.2001 ± 0.0009 Å
• α: 90°
• β: 108.557 ± 0.001°
• γ: 90°
• Cell volume: 4144.1 ± 0.3 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 7
• 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: 0.1001
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.2141
• Weighted residual factors for all reflections included in the refinement: 0.2237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.65
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No