Information card for entry 4505129

Structure parameters

• Formula: C15 H21 Cd N2 O9 P
• Calculated formula: C15 H21 Cd N2 O9 P
• Title of publication: Extended Water Tapes of Cyclic Hexamers Encapsulated in the Channels of a Metal Phosphonocarboxylate Network
• Authors of publication: Zhang, Xian-Ming; Fang, Rui-Qin; Wu, Hai-Shun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 1335
• a: 8.1675 ± 0.0017 Å
• b: 21.554 ± 0.005 Å
• c: 11.11 ± 0.002 Å
• α: 90°
• β: 93.822 ± 0.003°
• γ: 90°
• Cell volume: 1951.5 ± 0.7 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: 0.0568
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 0.855
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No