Information card for entry 7702316

Structure parameters

• Formula: C42 H45 Co2 N7 Na2 O8
• Calculated formula: C42 H45 Co2 N7 Na2 O8
• SMILES: Cc1[n]2[Co]34(Oc2ccc1)([O]([Co]12(Oc5[n]1c(C)ccc5)(Oc1[n]2c(C)ccc1)[O]3c1nc(C)ccc1)c1nc(C)ccc1)[n]1c(cccc1C)O4.O=c1[nH]c(C)ccc1.[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: 11.618 ± 0.005 Å
• b: 12.931 ± 0.005 Å
• c: 17.54 ± 0.006 Å
• α: 87.86 ± 0.1°
• β: 71.45 ± 0.1°
• γ: 64.36 ± 0.1°
• Cell volume: 2237 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1194
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections: 0.1453
• Weighted residual factors for significantly intense reflections: 0.1122
• Goodness-of-fit parameter for all reflections: 1.012
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No