Information card for entry 7702311

Structure parameters

• Formula: C38 H32 Cl6 N10 Na2 Ni2 O7
• Calculated formula: C38 H32 Cl6 N10 Na2 Ni2 O7
• SMILES: [Ni]1234([n]5c(cccc5Cl)O1)[n]1c(cccc1Cl)[O]2[Na]([OH2])([N]#CC)([O]1[Ni]25([n]6c(cccc6Cl)O2)([n]2c(cccc2Cl)[O]5[Na]([O]4c2[n]3c(ccc2)Cl)([N]#CC)([OH2])[N]#CC)[n]2c1cccc2Cl)[N]#CC
• 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: 15.667 ± 0.002 Å
• b: 9.1628 ± 0.0005 Å
• c: 16.4418 ± 0.0011 Å
• α: 90°
• β: 90.525 ± 0.01°
• γ: 90°
• Cell volume: 2360.2 ± 0.4 ų
• Cell temperature: 220 ± 0.2 K
• Ambient diffraction temperature: 220 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.085
• Goodness-of-fit parameter for all reflections: 1.038
• Goodness-of-fit parameter for significantly intense reflections: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No