Information card for entry 7206214

Structure parameters

• Formula: C52 H62 Cd3 N8 O12
• Calculated formula: C52 H62 Cd3 N8 O12
• Title of publication: Novel Zn and Cd coordination polymers of 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal synthesis, crystal structures and photoluminescence properties
• Authors of publication: Jing, Wang; Ren, Zhi-Gang; Dai, Ming; Chen, Yang; Lang, Jian-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 16
• Pages of publication: 5111
• a: 8.7552 ± 0.0018 Å
• b: 9.486 ± 0.0019 Å
• c: 16.064 ± 0.003 Å
• α: 93.72 ± 0.03°
• β: 94.91 ± 0.03°
• γ: 98.88 ± 0.03°
• Cell volume: 1309.2 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0498
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No