Information card for entry 4305154

Structure parameters

• Formula: C69 H64 Mn5 N5 O20 P2
• Calculated formula: C69 H62 Mn5 N5 O20 P2
• SMILES: [Mn]1234([O]5[Mn]678([O]=C(c9ccccc9)O[Mn]9%10%11%12[O]7[Mn]75([O]%12[Mn]5([O]=P(O1)(O7)C(C)(C)C)(OP(=[O]2)([O]89)C(C)(C)C)([O]=C(O%10)c1ccccc1)[n]1cccc2ccc7ccc[n]5c7c12)([O]=C(O6)c1ccccc1)OC(=[O]%11)c1ccccc1)[O]=C(O3)c1ccccc1)[n]1cccc2ccc3ccc[n]4c3c12.O.N#CC
• Title of publication: Synthesis and Characterization of a Family of Penta- and Tetra-Manganese(III) Complexes Derived from an Assembly System Containing tert-Butylphosphonic Acid
• Authors of publication: Mei Wang; Cheng-Bing Ma; Da-Qiang Yuan; Hui-Sheng Wang; Chang-Neng Chen; Qiu-Tian Liu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5580 - 5590
• a: 13.939 ± 0.005 Å
• b: 19.425 ± 0.008 Å
• c: 29.166 ± 0.012 Å
• α: 90°
• β: 94.515 ± 0.01°
• γ: 90°
• Cell volume: 7873 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.2022
• Weighted residual factors for all reflections included in the refinement: 0.2203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No