Information card for entry 7213876

Structure parameters

• Formula: C64 H48 Cl3 Cu2 N23 O12
• Calculated formula: C64 H48 Cl3 Cu2 N23 O12
• 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: 34.166 ± 0.003 Å
• b: 8.528 ± 0.0009 Å
• c: 24.721 ± 0.002 Å
• α: 90°
• β: 99.831 ± 0.002°
• γ: 90°
• Cell volume: 7097.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1777
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No