Information card for entry 7702310

Structure parameters

• Formula: C84 H86 N14 Na4 Ni4 O14
• Calculated formula: C84 H86 N14 Na4 Ni4 O14
• SMILES: [Ni]12345[n]6c([O]1[Na]178[O]3(c3[n]2c(ccc3)C)[Na]23([O]5c5[n]4c(ccc5)C)[O]7(=C4NC(=CC=C4)C)[Na]45([O]7[Ni]9%10%11([n]%12c7cccc%12C)[n]7c([O]49[Na]4([O]9[Ni]%12%13([n]%14c9cccc%14C)([n]9c([O]4%12)cccc9C)[n]4c([O]1%13)cccc4C)([O]%11c1[n]%10c(ccc1)C)[O]85=C1NC(=CC=C1)C)cccc7C)[O]1[Ni]45([n]7c([O]24)cccc7C)([n]2c([O]35)cccc2C)[n]2c1cccc2C)cccc6C
• 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: 10.818 ± 0.004 Å
• b: 14.336 ± 0.005 Å
• c: 16.281 ± 0.006 Å
• α: 109.9 ± 0.02°
• β: 100.46 ± 0.02°
• γ: 107.5 ± 0.02°
• Cell volume: 2147.8 ± 1.5 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 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: 0.0732
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections: 0.1444
• Weighted residual factors for significantly intense reflections: 0.1298
• Goodness-of-fit parameter for all reflections: 1.01
• Goodness-of-fit parameter for significantly intense reflections: 1.061
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No