Information card for entry 7010133

Structure parameters

• Common name: manganese phosphonoacetate
• Formula: C4 H4 Mn3 O10 P2
• Calculated formula: C4 H4 Mn3 O10 P2
• Title of publication: Synthesis and characterization of two manganese phosphonocarboxylates: Mn3(O3PCH2COO)2 and Mn3(O3PCH2CH2COO)2
• Authors of publication: Stock, Norbert; Frey, Stephanie A.; Stucky, Galen D.; Cheetham, Anthony K.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 23
• Pages of publication: 4292
• a: 6.3922 ± 0.0006 Å
• b: 8.4863 ± 0.0008 Å
• c: 10.0086 ± 0.0009 Å
• α: 106.187 ± 0.001°
• β: 96.428 ± 0.002°
• γ: 101.436 ± 0.002°
• Cell volume: 502.92 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0381
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No