Information card for entry 7210052

Structure parameters

• Formula: C56 H76 Cd2 N22 O14
• Calculated formula: C56 H73.036 Cd2 N22 O14
• Title of publication: A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers
• Authors of publication: Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 21
• Pages of publication: 4357
• a: 11.9076 ± 0.0004 Å
• b: 11.9605 ± 0.0004 Å
• c: 12.866 ± 0.0004 Å
• α: 93.78 ± 0.003°
• β: 90.696 ± 0.003°
• γ: 110.675 ± 0.003°
• Cell volume: 1709.42 ± 0.1 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: 0.0498
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No