Information card for entry 7028757

Structure parameters

• Formula: C70 H74 Cl2 Co2 N10 O16
• Calculated formula: C70 H74 Cl2 Co2 N10 O16
• SMILES: C12C(=C(C3=C4C(c5c(C3=O)cccc5)=[O][Co]356([N](Cc7[n]3cccc7)(Cc3[n]6cccc3)Cc3[n]5c(ccc3)C)O4)C(=O)c3c1cccc3)O[Co]134([N](Cc5[n]1cccc5)(Cc1[n]4cccc1)Cc1[n]3c(C)ccc1)[O]=2.N#CC.[O-]Cl(=O)(=O)=O.O(CC)CC.N#CC.[O-]Cl(=O)(=O)=O.O(CC)CC
• Title of publication: Dinuclear cobalt(ii) and cobalt(iii) complexes of bis-bidentate napthoquinone ligands.
• Authors of publication: Mulyana, Yanyan; Alley, Kerwyn G.; Davies, Kristian M.; Abrahams, Brendan F.; Moubaraki, Boujemaa; Murray, Keith S.; Boskovic, Colette
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 6
• Pages of publication: 2499 - 2511
• a: 34.0656 ± 0.0006 Å
• b: 8.5301 ± 0.0001 Å
• c: 25.9872 ± 0.0004 Å
• α: 90°
• β: 105.875 ± 0.002°
• γ: 90°
• Cell volume: 7263.4 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1656
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No