Information card for entry 7108441

Structure parameters

• Formula: C29 H45 Cu N13 O8
• 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: 7.067 ± 0.002 Å
• b: 15.675 ± 0.005 Å
• c: 18.811 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2083.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 51
• Hermann-Mauguin space group symbol: P m m a
• Hall space group symbol: -P 2a 2a
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No