Information card for entry 7207619

Structure parameters

• Formula: C16 H20 Cd N6 O6
• Calculated formula: C16 H20 Cd N6 O6
• Title of publication: Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence
• Authors of publication: Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2691
• a: 10.3443 ± 0.0014 Å
• b: 10.6769 ± 0.0014 Å
• c: 11.0401 ± 0.0015 Å
• α: 81.775 ± 0.002°
• β: 66.024 ± 0.001°
• γ: 70.742 ± 0.001°
• Cell volume: 1051.7 ± 0.2 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: 0.0394
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No