Information card for entry 1561137

Structure parameters

• Formula: C16 H17 Cd4 Cl N6 O13 P2 S
• Calculated formula: C16 H15 Cd4 Cl N6 O13 P2 S
• Title of publication: Hydrothermal syntheses and anion-induced structural transformation of three Cadmium phosphonates
• Authors of publication: Hu, Han; Zhai, Fupeng; Liu, Xiaofeng; Ling, Yun; Chen, Zhenxia; Zhou, Yaming
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 261
• Pages of publication: 9 - 15
• a: 6.883 ± 0.002 Å
• b: 24.234 ± 0.008 Å
• c: 15.962 ± 0.005 Å
• α: 90°
• β: 97.404 ± 0.004°
• γ: 90°
• Cell volume: 2640.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.056
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.2067
• Weighted residual factors for all reflections included in the refinement: 0.2133
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No