Information card for entry 7213873

Structure parameters

• Formula: C64 H48 Br2 Cd N20
• Calculated formula: C64 H48 Br2 Cd 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: 7.9001 ± 0.0007 Å
• b: 44.62 ± 0.003 Å
• c: 8.0308 ± 0.0004 Å
• α: 90°
• β: 91.642 ± 0.002°
• γ: 90°
• Cell volume: 2829.7 ± 0.3 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: 0.0983
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No