Information card for entry 2018178

Structure parameters

• Chemical name: poly[aquahemi[μ~4~-1,6-bis(1,2,4- triazol-1-yl)hexane](μ~2~-5-nitroisophthalato)cadmium(II)]
• Formula: C13 H13 Cd N4 O7
• Calculated formula: C13 H13 Cd N4 O7
• Title of publication: A rare `mesh of trees' (mot) net: poly[aquahemi[μ~4~-1,6-bis(1,2,4-triazol-1-yl)hexane](μ~2~-5-nitroisophthalato)cadmium(II)]
• Authors of publication: Li, Jing; Wu, Ren-Tao; Li, Hong-Bo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m284 - m286
• a: 10.292 ± 0.002 Å
• b: 11.25 ± 0.003 Å
• c: 13.339 ± 0.003 Å
• α: 90°
• β: 90.644 ± 0.003°
• γ: 90°
• Cell volume: 1544.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0416
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No