Information card for entry 7004155

Structure parameters

• Common name: cadmium phosphonate
• Formula: C102 H138 Cd4 N4 O22 P6
• Calculated formula: C102 H138 Cd4 N4 O22 P6
• 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: 13.876 ± 0.003 Å
• b: 15.165 ± 0.003 Å
• c: 17.449 ± 0.004 Å
• α: 69.26 ± 0.03°
• β: 75.11 ± 0.03°
• γ: 86.03 ± 0.03°
• Cell volume: 3317.6 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.124
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.1991
• Weighted residual factors for all reflections included in the refinement: 0.2216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No