Information card for entry 7011808

Structure parameters

• Formula: C6 H24 Cd N2 O14 P4
• Calculated formula: C6 H24 Cd N2 O14 P4
• Title of publication: The role of deprotonation of the ligand on the structures of metal phosphonates: synthesis, characterization and crystal structures of two new metal diphosphonates with a 1D double chain and a 2D layer structure
• Authors of publication: Mao, Jiang-Gao; Wang, Zhike; Clearfield, Abraham
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 4457
• a: 9.418 ± 0.004 Å
• b: 9.948 ± 0.004 Å
• c: 10.574 ± 0.005 Å
• α: 82.408 ± 0.007°
• β: 73.694 ± 0.007°
• γ: 89.773 ± 0.007°
• Cell volume: 941.9 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No