Information card for entry 7702313

Structure parameters

• Formula: C30 H20 Cl6 N6 Na2 Ni2 O7
• Calculated formula: C30 H20 Cl6 N6 Na2 Ni2 O7
• SMILES: [Ni]123([n]4c(cccc4Cl)O1)([n]1c(cccc1Cl)O2)[O](c1nc(ccc1)Cl)[Ni]12([n]4c(cccc4Cl)O1)([n]1c(cccc1Cl)O2)[O]3c1nc(ccc1)Cl.[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: 21.407 ± 0.006 Å
• b: 11.86 ± 0.003 Å
• c: 13.912 ± 0.002 Å
• α: 90°
• β: 91.04 ± 0.02°
• γ: 90°
• Cell volume: 3531.5 ± 1.4 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: 0.1166
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections: 0.1091
• Weighted residual factors for significantly intense reflections: 0.0881
• Goodness-of-fit parameter for all reflections: 0.966
• Goodness-of-fit parameter for significantly intense reflections: 1.115
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No