Information card for entry 7214458

Structure parameters

• Formula: C11 H11 Cd3 N5 O12
• Calculated formula: C11 H9 Cd3 N5 O12
• Title of publication: Two three-dimensional cadmium(ii) coordination polymers based on 5-amino-tetrazolate and 1,2,4,5-benzenetetracarboxylate: the pH value controlled syntheses, crystal structures and luminescent properties
• Authors of publication: Zhong, Di-Chang; Lu, Wen-Guan; Deng, Ji-Hua
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 21
• Pages of publication: 4633
• a: 6.595 ± 0.0004 Å
• b: 9.1653 ± 0.0005 Å
• c: 14.1958 ± 0.001 Å
• α: 85.873 ± 0.005°
• β: 82.166 ± 0.005°
• γ: 74.734 ± 0.004°
• Cell volume: 819.48 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0535
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No