Information card for entry 7206304

Structure parameters

• Formula: C64 H68 Cd2 N12 O8
• Calculated formula: C64 H68 Cd2 N12 O8
• Title of publication: Structural diversity of coordination polymers assembled from adamantane dicarboxylates and conformational bis-triazole ligand
• Authors of publication: Ren, Chen; Zhang, Ya-Nan; Shi, Wen-Juan; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 16
• Pages of publication: 5179
• a: 9.0628 ± 0.001 Å
• b: 12.4562 ± 0.0014 Å
• c: 27.207 ± 0.003 Å
• α: 83.786 ± 0.001°
• β: 85.363 ± 0.002°
• γ: 82.622 ± 0.002°
• Cell volume: 3021 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.086
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No