Information card for entry 7702315

Structure parameters

• Formula: C30 H18 Cl6 Co2 N6 Na2 O6
• Calculated formula: C30 H18 Cl6 Co2 N6 Na2 O6
• SMILES: c12[n](c(ccc2)Cl)[Co]23(O1)([O](c1cccc(Cl)n1)[Co]14(Oc5cccc(Cl)[n]51)([O]3c1cccc(Cl)n1)[n]1c(O4)cccc1Cl)[n]1c(cccc1Cl)O2.[Na+].[Na+]
• Title of publication: Heterobimetallic nickel–sodium and cobalt–sodium complexes of pyridonate ligands
• Authors of publication: Brechin, Euan K.; Gilby, Liam M.; Gould, Robert O.; Harris, Steven G.; Parsons, Simon; Winpenny, Richard E. P.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 16
• Pages of publication: 2657
• a: 7.2614 ± 0.0019 Å
• b: 11.316 ± 0.002 Å
• c: 12.105 ± 0.003 Å
• α: 112.204 ± 0.01°
• β: 93.119 ± 0.014°
• γ: 105.192 ± 0.013°
• Cell volume: 875.5 ± 0.4 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.109
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections: 0.1196
• Weighted residual factors for significantly intense reflections: 0.1019
• Goodness-of-fit parameter for all reflections: 0.981
• Goodness-of-fit parameter for significantly intense reflections: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No