Information card for entry 4318976

Structure parameters

• Formula: C48 H114 Cd3 O27 P6
• Calculated formula: C48 H114 Cd3 O27 P6
• Title of publication: Di-tert-butyl Phosphate as Synthon for Metal Phosphate Materials via Single-Source Coordination Polymers [M(dtbp)2]n (M = Mn, Cu) and [Cd(dtbp)2(H2O)]n (dtbp-H = (tBuO)2P(O)OH)
• Authors of publication: Malaichamy Sathiyendiran; Ramaswamy Murugavel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6404 - 6411
• a: 12.689 ± 0.003 Å
• b: 14.364 ± 0.003 Å
• c: 22.491 ± 0.005 Å
• α: 84.54 ± 0.03°
• β: 79.43 ± 0.03°
• γ: 70.03 ± 0.03°
• Cell volume: 3785.1 ± 1.7 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No