Information card for entry 2227638

Structure parameters

• Chemical name: Aqua(4-bromobenzoato-κ<i>O</i>)bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')zinc(II) 4-bromobenzoate 1.5-hydrate
• Formula: C38 H29 Br2 N4 O6.5 Zn
• Calculated formula: C38 H29 Br2 N4 O6.5 Zn
• Title of publication: Aqua(4-bromobenzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) 4-bromobenzoate 1.5-hydrate
• Authors of publication: Zhang, Bi-Song; Ye, Su-Fang; Li, Yun-Xia; Xu, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1357 - m1358
• a: 10.17 ± 0.002 Å
• b: 13.527 ± 0.003 Å
• c: 15.908 ± 0.003 Å
• α: 111.96 ± 0.03°
• β: 99.26 ± 0.03°
• γ: 102.25 ± 0.03°
• Cell volume: 1912.5 ± 1 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: 0.1421
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2348
• Weighted residual factors for all reflections included in the refinement: 0.3071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes