Information card for entry 2229618

Structure parameters

• Chemical name: Di-μ-glutarato-κ^4^<i>O</i>^1^:<i>O</i>^5^-bis[aqua(1,10-phenanthroline-\ κ^2^<i>N</i>,<i>N</i>')copper(II)]
• Formula: C34 H32 Cu2 N4 O10
• Calculated formula: C34 H32 Cu2 N4 O10
• SMILES: C1(=O)CCCC(=O)O[Cu]2([n]3c4c5c(ccc[n]25)ccc4ccc3)(OC(=O)CCCC(=O)O[Cu]2([n]3c4c5[n]2cccc5ccc4ccc3)(O1)[OH2])[OH2]
• Title of publication: Di-μ-glutarato-κ^4^<i>O</i>^1^:<i>O</i>^5^-bis[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]
• Authors of publication: Zhou, Yong-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m411
• a: 10.2767 ± 0.0011 Å
• b: 10.5935 ± 0.0014 Å
• c: 15.5998 ± 0.0016 Å
• α: 90°
• β: 107.114 ± 0.001°
• γ: 90°
• Cell volume: 1623.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0457
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes