Information card for entry 7004157

Structure parameters

• Common name: cadmium phosphonate
• Formula: C82 H66 Cd2 N4 O14 P4
• Calculated formula: C82 H66 Cd2 N4 O14 P4
• Title of publication: Assembly of tetra, di and mononuclear molecular cadmium phosphonates using 2,4,6-triisopropylphenylphosponic acid and ancillary ligands
• Authors of publication: Chandrasekhar, Vadapalli; Sasikumar, Palani; Boomishankar, Ramamoorthy
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 38
• Pages of publication: 5189 - 5196
• a: 12.028 ± 0.005 Å
• b: 29.16 ± 0.005 Å
• c: 12.245 ± 0.005 Å
• α: 90 ± 0.005°
• β: 99.332 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4238 ± 3 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: 0.0766
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No