Information card for entry 7225979

Structure parameters

• Formula: C6 H15 Cd N9 O3
• Calculated formula: C6 H15 Cd N9 O3
• SMILES: c12CC[NH]3CCc4nnnn4[Cd]3(n1nnn2)([OH2])([OH2])[OH2]
• Title of publication: Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties
• Authors of publication: Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 35
• Pages of publication: 6708
• a: 13.4767 ± 0.0015 Å
• b: 7.5845 ± 0.0009 Å
• c: 12.9148 ± 0.0014 Å
• α: 90°
• β: 99.542 ± 0.002°
• γ: 90°
• Cell volume: 1301.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0182
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No