Information card for entry 7209246

Structure parameters

• Formula: C46 H46 Cd2 N18 O9
• Calculated formula: C46 H44 Cd2 N18 O9
• Title of publication: Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands
• Authors of publication: Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 1897
• a: 11.896 ± 0.002 Å
• b: 11.896 ± 0.003 Å
• c: 34.2854 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4851.9 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No