Information card for entry 7217074

Structure parameters

• Formula: C42 H41 Cd3 N3 O21
• Calculated formula: C42 H41 Cd3 N3 O21
• Title of publication: Structure versatility of coordination polymers constructed from a semirigid ligand and polynuclear metal clusters
• Authors of publication: Yang, De-Liang; Zhang, Xin; Yao, Yuan-Gen; Zhang, Jian
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 34
• Pages of publication: 8047
• a: 21.9035 ± 0.0006 Å
• b: 14.5496 ± 0.0004 Å
• c: 27.9653 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8912.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No