Information card for entry 7208114

Structure parameters

• Formula: C54 H54 Cd2 N6 O29
• Calculated formula: C54 H44 Cd2 N6 O29
• Title of publication: Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers
• Authors of publication: Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 4312
• a: 20.7 ± 0.005 Å
• b: 11.623 ± 0.003 Å
• c: 29.216 ± 0.006 Å
• α: 90°
• β: 118.682 ± 0.013°
• γ: 90°
• Cell volume: 6167 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1355
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.2369
• Weighted residual factors for all reflections included in the refinement: 0.2763
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No