Information card for entry 7004156

Structure parameters

• Common name: cadmium phosphonate
• Formula: C112 H136 Cd4 N8 O23 P6
• Calculated formula: C112 H136 Cd4 N8 O23 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: 15.0781 ± 0.0011 Å
• b: 24.9027 ± 0.0018 Å
• c: 17.1928 ± 0.0012 Å
• α: 90°
• β: 98.037 ± 0.001°
• γ: 90°
• Cell volume: 6392.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.084
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No