Information card for entry 2225583

Structure parameters

• Chemical name: Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) bis(4-bromobenzoate) 6.5-hydrate
• Formula: C50 H45 Br2 N6 O10.5 Zn
• Calculated formula: C50 H45 Br2 N6 O10.5 Zn
• Title of publication: Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) bis(4-bromobenzoate) 6.5-hydrate
• Authors of publication: Ye, Su-Fang; Zhang, Bi-Song
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m474
• a: 13.098 ± 0.003 Å
• b: 14.24 ± 0.003 Å
• c: 16.281 ± 0.003 Å
• α: 108.68 ± 0.03°
• β: 107.13 ± 0.03°
• γ: 105.11 ± 0.03°
• Cell volume: 2528.9 ± 1.5 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.1177
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1753
• Weighted residual factors for all reflections included in the refinement: 0.25
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes