Information card for entry 2108126

Structure parameters

• Common name: complex 3
• Formula: C18 H24 Cd N2 O9
• Calculated formula: C18 H24 Cd N2 O9
• SMILES: [Cd]12(OC(=[O]1)c1oc(cc1)c1oc(C(=O)[O-])cc1)([OH]C)([O]=CN(C)C)([O]=CN(C)C)OC(=[O]2)c1oc(cc1)c1oc(cc1)C(=[O]1)O[Cd]1([OH]C)([O]=CN(C)C)[O]=CN(C)C
• Title of publication: Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid
• Authors of publication: Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 4
• Pages of publication: 715 - 721
• a: 10.9131 ± 0.0005 Å
• b: 11.3385 ± 0.0005 Å
• c: 17.4385 ± 0.0008 Å
• α: 90°
• β: 94.215 ± 0.002°
• γ: 90°
• Cell volume: 2151.97 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0201
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.0409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes