Information card for entry 7028756

Structure parameters

• Formula: C108 H96 B2 Cl4 Co2 N8 O8
• Calculated formula: C105 H86 B2 Cl2 Co2 N8 O6
• SMILES: c1cc2[n]([Co]345(OC6C(=[O]3)c3ccccc3C(=O)C=6C3=C6O[Co]789([O]=C6c6ccccc6C3=O)[n]3ccccc3C[N]7(Cc3[n]8cccc3)Cc3[n]9cccc3)[N](Cc3[n]5cccc3)(C2)Cc2[n]4cccc2)cc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 9.6851 ± 0.0003 Å
• b: 20.5451 ± 0.0005 Å
• c: 22.8542 ± 0.0007 Å
• α: 85.949 ± 0.002°
• β: 87.043 ± 0.002°
• γ: 81.098 ± 0.002°
• Cell volume: 4477.7 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0551
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No