Information card for entry 7208568

Structure parameters

• Formula: C34 H28 Cd2 N6 O16
• Calculated formula: C34 H28 Cd2 N6 O16
• Title of publication: Substituted groups-directed assembly of Cd(ii) coordination polymers based on 5-R-1,3-benzenedicarboxylate and 4,4'-bis(1-imidazolyl)bibenzene: syntheses, structures and photoluminescent properties
• Authors of publication: Cheng, Hong-Jian; Li, Hong-Xi; Ren, Zhi-Gang; Lü, Chun-Ning; Shi, Jing; Lang, Jian-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 6064
• a: 9.967 ± 0.002 Å
• b: 12.179 ± 0.002 Å
• c: 15.859 ± 0.003 Å
• α: 96.41 ± 0.03°
• β: 96.96 ± 0.03°
• γ: 104.19 ± 0.03°
• Cell volume: 1832.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No