Information card for entry 7015379

Structure parameters

• Formula: C55 H59 Cl Co2 N6 O19 S2
• Calculated formula: C55 H59 Cl Co2 N6 O19 S2
• SMILES: [Co]12345[O]=C(c6ccc(OC)c(OC)c6)O[Co]678([O]1c1c(S(=O)(=O)[N]4(Cc4[n]5cccc4)Cc4[n]3cccc4)cc(cc1S(=O)(=O)[N]7(Cc1[n]8cccc1)Cc1[n]6cccc1)C)[O]=C(O2)c1ccc(OC)c(OC)c1.Cl(=O)(=O)(=O)[O-].O=C(C)C.O=C(C)C
• 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: 16.2647 ± 0.0013 Å
• b: 19.8095 ± 0.0016 Å
• c: 18.7038 ± 0.0014 Å
• α: 90°
• β: 106.037 ± 0.003°
• γ: 90°
• Cell volume: 5791.8 ± 0.8 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No