Information card for entry 4102105

Structure parameters

• Formula: C35 H24 Cu2 N2 O14
• Calculated formula: C35 H24 Cu2 N2 O14
• Title of publication: Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)
• Authors of publication: Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 3783 - 3792
• a: 9.6214 ± 0.0015 Å
• b: 10.2423 ± 0.0016 Å
• c: 10.9393 ± 0.0017 Å
• α: 70.584 ± 0.003°
• β: 66.008 ± 0.003°
• γ: 63.084 ± 0.003°
• Cell volume: 863.5 ± 0.2 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0648
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No