Information card for entry 7213872

Structure parameters

• Formula: C64 H48 Cd Cl2 N20
• Calculated formula: C64 H48 Cd Cl2 N20
• Title of publication: Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence
• Authors of publication: Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 6
• Pages of publication: 1010
• a: 7.821 ± 0.0005 Å
• b: 44.97 ± 0.003 Å
• c: 11.0991 ± 0.0009 Å
• α: 90°
• β: 134.49 ± 0.002°
• γ: 90°
• Cell volume: 2784.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1047
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1815
• Weighted residual factors for all reflections included in the refinement: 0.1932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No