Information card for entry 7219845

Structure parameters

• Formula: C3.57 H2.71 Cd0.14 N0.71 O0.86
• Calculated formula: C3.57143 H2.71429 Cd0.142857 N0.714286 O0.857143
• Title of publication: Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties
• Authors of publication: Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 16
• Pages of publication: 3117
• a: 13.9673 ± 0.0005 Å
• b: 11.3875 ± 0.0002 Å
• c: 14.9718 ± 0.0004 Å
• α: 90°
• β: 98.332 ± 0.003°
• γ: 90°
• Cell volume: 2356.17 ± 0.11 ų
• Cell temperature: 293.22 ± 0.1 K
• Ambient diffraction temperature: 293.22 ± 0.1 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: 0.0534
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No