Information card for entry 7015383

Structure parameters

• Formula: C42 H42 Cl F6 Mn2 N7 O9
• Calculated formula: C42 H42 Cl F6 Mn2 N7 O9
• SMILES: [Mn]12345[O]=C(C(F)(F)F)O[Mn]678([O]1c1c(cc(cc1C[N]7(Cc1[n]8cccc1)Cc1[n]6cccc1)C(C)(C)C)C[N]4(Cc1[n]5cccc1)Cc1[n]3cccc1)[O]=C(O2)C(F)(F)F.Cl(=O)(=O)(=O)[O-].N#CC
• Title of publication: Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes.
• Authors of publication: Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 13
• Pages of publication: 3336 - 3345
• a: 10.0416 ± 0.0013 Å
• b: 11.1647 ± 0.0015 Å
• c: 20.987 ± 0.003 Å
• α: 81.088 ± 0.006°
• β: 84.15 ± 0.005°
• γ: 77.758 ± 0.005°
• Cell volume: 2265.8 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No