Information card for entry 7702314

Structure parameters

• Formula: C30 H20 Cl6 Co2 N6 Na2 O7
• Calculated formula: C30 H20 Cl6 Co2 N6 Na2 O7
• SMILES: [O]1([Co]23([O](c4nc(Cl)ccc4)[Co]451(Oc1cccc(Cl)[n]41)[n]1c(O5)cccc1Cl)([n]1c(cccc1O2)Cl)[n]1c(cccc1Cl)O3)c1cccc(Cl)n1.[Na+].O.[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: 21.59 ± 0.013 Å
• b: 11.916 ± 0.009 Å
• c: 13.879 ± 0.01 Å
• α: 90°
• β: 91.37 ± 0.06°
• γ: 90°
• Cell volume: 3570 ± 4 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 7
• 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: 0.1174
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections: 0.2167
• Weighted residual factors for significantly intense reflections: 0.1735
• Goodness-of-fit parameter for all reflections: 1.127
• Goodness-of-fit parameter for significantly intense reflections: 1.157
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No