Information card for entry 7214959

Structure parameters

• Formula: C95 H90 Cd5 N15 O30
• Calculated formula: C95 H90 Cd5 N15 O30
• Title of publication: Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties
• Authors of publication: Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 8173
• a: 11.533 ± 0.0006 Å
• b: 14.292 ± 0.0006 Å
• c: 29.317 ± 0.0008 Å
• α: 92.071 ± 0.003°
• β: 90.977 ± 0.003°
• γ: 103.047 ± 0.004°
• Cell volume: 4702.9 ± 0.3 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: 0.0784
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No