Information card for entry 4340321

Structure parameters

• Formula: C40 H50 Cu3 N28 O3
• Calculated formula: C40 H30 Cu3 N28 O3
• Title of publication: Series of solvent-induced single-crystal to single-crystal transformations with different sizes of solvent molecules.
• Authors of publication: He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7527 - 7533
• a: 12.825 ± 0.0008 Å
• b: 14.903 ± 0.0012 Å
• c: 15.963 ± 0.0012 Å
• α: 90°
• β: 92.847 ± 0.007°
• γ: 90°
• Cell volume: 3047.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1428
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.2057
• Weighted residual factors for all reflections included in the refinement: 0.2451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No