Information card for entry 4332569

Structure parameters

• Formula: C42 H50 Mn6 N4 O22
• Calculated formula: C42 H50 Mn6 N4 O22
• SMILES: [O]12[Mn]345(Oc6ccccc6C(=[NH]4)OC)[O]=C(C)O[Mn]462[O]2[Mn]789([O]%10[Mn]%11%12([O]3[Mn]%10([O]=C(C)O8)(OC(C)=[O]%12)[O]5(C)[Mn]312([NH]=C(c1c(cccc1)O3)OC)OC(C)=[O]4)([NH]=C(c1c(cccc1)O%11)OC)[O]69C)[NH]=C(c1c(cccc1)O7)OC
• Title of publication: High-Nuclearity Manganese and Iron Complexes with the Anionic Ligand Methyl Salicylimidate
• Authors of publication: Godbole, Meenal D.; Roubeau, Olivier; Mills, Allison M.; Kooijman, Huub; Spek, Anthony L.; Bouwman, Elisabeth
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 6713 - 6722
• a: 10.3718 ± 0.0002 Å
• b: 11.8762 ± 0.0003 Å
• c: 13.4373 ± 0.0003 Å
• α: 78.6455 ± 0.0008°
• β: 79.7779 ± 0.0008°
• γ: 79.5352 ± 0.0009°
• Cell volume: 1578.46 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0607
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No