Information card for entry 2234468

Structure parameters

• Chemical name: Di-μ-methanolato-κ^4^<i>O</i>:<i>O</i>-bis[bis(3-methyl-5-phenyl-1<i>H</i>- pyrazole-κ<i>N</i>^2^)(nitrato-κ<i>O</i>)copper(II)]
• Formula: C42 H46 Cu2 N10 O8
• Calculated formula: C42 H46 Cu2 N10 O8
• SMILES: Cc1cc(c2ccccc2)[nH][n]1[Cu]1([n]2[nH]c(cc2C)c2ccccc2)[O](C)[Cu]([n]2c(C)cc(c3ccccc3)[nH]2)([n]2[nH]c(cc2C)c2ccccc2)[O]1C.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Di-μ-methanolato-κ^4^<i>O</i>:<i>O</i>-bis[bis(3-methyl-5-phenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)(nitrato-κ<i>O</i>)copper(II)]
• Authors of publication: Li, Xu-Guang; Gao, Meng-Meng; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m503
• a: 8.3896 ± 0.0008 Å
• b: 11.2569 ± 0.0011 Å
• c: 12.72 ± 0.0012 Å
• α: 106.12 ± 0.002°
• β: 103.025 ± 0.002°
• γ: 95.853 ± 0.002°
• Cell volume: 1106.85 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes