Information card for entry 8106285

Structure parameters

• Formula: C100 H60 Cd4 N12 O16
• Calculated formula: C100 H60 Cd4 N12 O16
• Title of publication: Crystal structure of catena-poly[(μ3-5-carboxy-2-(pyridin-4-yl)benzoato-κ5 O,O′:O′′,O′′′:O′′′)(1,10-phenanthroline-κ2 N,N′)cadmium(II)], C100H60N12O16Cd4
• Authors of publication: Song, Wei; Xu, Xue-Li; Yang, Yan-Ju; Li, Shi-Hui
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 755 - 756
• a: 21.2654 ± 0.0005 Å
• b: 11.1493 ± 0.0003 Å
• c: 17.3039 ± 0.0004 Å
• α: 90°
• β: 97.774 ± 0.002°
• γ: 90°
• Cell volume: 4064.95 ± 0.17 ų
• Cell temperature: 289.23 ± 0.1 K
• Ambient diffraction temperature: 289.23 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No