Information card for entry 4318974

Structure parameters

• Formula: C32 H72 Mn2 O16 P4
• Calculated formula: C32 H72 Mn2 O16 P4
• 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: 19.957 ± 0.004 Å
• b: 13.419 ± 0.0012 Å
• c: 18.083 ± 0.002 Å
• α: 90°
• β: 91.25 ± 0.015°
• γ: 90°
• Cell volume: 4841.5 ± 1.2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• 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: 0.0673
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No