Information card for entry 7108440

Structure parameters

• Formula: C30 H43 Cu N13 O6 S3
• Calculated formula: C22 H12 Cu N13 O
• Title of publication: Unprecedented crystal dynamics: reversible cascades of single-crystal-to-single-crystal transformations
• Authors of publication: Gao-Chao Lv; Peng Wang; Qing Liu; Jian; Fan; Kai Chen; Wei-Yin Sun
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10249
• a: 31.552 ± 0.006 Å
• b: 37.319 ± 0.007 Å
• c: 7.1146 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8377 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.2084
• Weighted residual factors for all reflections included in the refinement: 0.2241
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No