Information card for entry 4340165

Structure parameters

• Formula: C40 H45 Cl4 Mn2 N6 O13
• Calculated formula: C40 H45 Cl4 Mn2 N6 O13
• SMILES: [Mn]12345[O]6[Mn]78([O]=C(O1)C)(OC(=[O]2)C)[N](Cc1c6c(cc(c1)C)C[N]3(CCc1[n]4cccc1)Cc1[n]5cccc1)(CCc1[n]7cccc1)Cc1[n]8cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].ClCCl
• Title of publication: Studies of a dinuclear manganese complex with phenoxo and bis-acetato bridging in the Mn2(II,II) and Mn2(II,III) states: Coordination structural shifts and oxidation state control in bridged dinuclear complexes.
• Authors of publication: Gultneh, Yilma; Tesema, Yohannes T.; Yisgedu, Teshome B.; Butcher, Ray J.; Wang, Guangbin; Yee, Gordon T.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 3023 - 3033
• a: 11.16 ± 0.03 Å
• b: 14.2 ± 0.05 Å
• c: 16.46 ± 0.06 Å
• α: 106.08 ± 0.08°
• β: 96.19 ± 0.08°
• γ: 95.71 ± 0.08°
• Cell volume: 2469 ± 14 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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 all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No