Information card for entry 2241833

Structure parameters

• Chemical name: μ-4-Oxidobenzoato-κ^2^<i>O</i>^1^:<i>O</i>^4^-bis[bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] bis(4-hydroxybenzoate) 7.5-hydrate
• Formula: C69 H61 Cu2 N8 O16.5
• Calculated formula: C69 H61 Cu2 N8 O16.5
• Title of publication: Crystal structure of μ-4-oxidobenzoato-κ^2^<i>O</i>^1^:<i>O</i>^4^-bis[bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] bis(4-hydroxybenzoate) 7.5-hydrate
• Authors of publication: Su, Jian-Rong; Li, Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 10
• Pages of publication: 1396 - 1399
• a: 22.683 ± 0.0011 Å
• b: 16.6644 ± 0.0006 Å
• c: 16.8388 ± 0.0006 Å
• α: 90°
• β: 91.026 ± 0.003°
• γ: 90°
• Cell volume: 6364 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1068
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.2013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes