Information card for entry 7006057

Structure parameters

• Formula: C6 H4 Cd N O5 P
• Calculated formula: C6 H4 Cd N O5 P
• Title of publication: Microwave-assisted hydrothermal syntheses of metal phosphonates with layered and framework structures
• Authors of publication: Yang, Yi-Fan; Ma, Yun-Sheng; Bao, Song-Song; Zheng, Li-Min
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 37
• Pages of publication: 4222
• a: 9.2706 ± 0.001 Å
• b: 8.7918 ± 0.0009 Å
• c: 9.881 ± 0.001 Å
• α: 90°
• β: 102.466 ± 0.002°
• γ: 90°
• Cell volume: 786.37 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0232
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No