Information card for entry 7004225

Structure parameters

• Formula: C32 H73 Mn9 O45 P2
• Calculated formula: C32 H57 Mn9 O45 P2
• SMILES: [Mn]12345[O]6[Mn]78([O]9[Mn]%10%11%12([O]7[Mn]7%13%14([O]%15[Mn]%16%17%18([O]%19[Mn]%20%21%22([O]%23[Mn]9([O]%10P(=[O]7)([O]%16%20)C(C)(C)C)([O]=C(O%21)C)([O]=C(O[Mn]6%23([O]=P%19([O]2[Mn]%15([O]18)([O]%13=C(O)C)(OC(=[O]%17)C)[O]=C(O5)C)C(C)(C)C)([O]=C(O%22)C)OC(=[O]3)C)C)[O]=C(O%11)C)[O]=C(O%18)C)[O]=C(O%14)C)[O]=C(O%12)C)[OH2])[O]=C(O4)C.O.O.O.O.O.O.O.O
• Title of publication: Synthesis and characterization of nona- and trideca-nuclear manganese phosphonate clusters
• Authors of publication: Wang, Mei; Ma, Chengbing; Chen, Changneng
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 34
• Pages of publication: 4612
• a: 19.6387 ± 0.0018 Å
• b: 75.329 ± 0.006 Å
• c: 18.0855 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 26755 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.2043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No