Information card for entry 4305155

Structure parameters

• Formula: C40 H66 Mn4 N4 O26 P2
• Calculated formula: C40 H62 Mn4 N4 O26 P2
• SMILES: c1cccc2[n]1[Mn]134([n]5c2cccc5)[O]2[Mn]567([O]=C(O1)C)OC(=[O][Mn]189([n]%10ccccc%10c%10cccc[n]1%10)[O]5[Mn]2(OP(=[O]3)(O7)C(C)(C)C)([O]=P(O9)(O6)C(C)(C)C)([O]=C(O8)C)OC(=[O]4)C)C.OC(=O)C.O.O.O.OC(=O)C.O.O.O
• 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: 10.652 ± 0.004 Å
• b: 11.931 ± 0.004 Å
• c: 13.295 ± 0.005 Å
• α: 115.296 ± 0.004°
• β: 90.36°
• γ: 113.407 ± 0.004°
• Cell volume: 1370 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No