Information card for entry 7023281

Structure parameters

• Common name: [Na3Ni2(L)6](ClO4)
• Formula: C54 H60 Cl N6 Na3 Ni2 O16
• Calculated formula: C54 H60 Cl N6 Na3 Ni2 O16
• SMILES: [Na]12345[O]67[Na]89%10%11[O](c%12c7c(C=[N]([Ni]7%13%146[O]69[Na]9%15([O]37c3c(C=[N]%14C)cccc3[O]4C)([O](c3c6c(C=[N]%13C)ccc3)C)[O](C)c3cccc4c3[O]5%15[Ni]35([O]28c2c([O]1C)cccc2[CH]N3C)([O]%119c1c([O]%10C)cccc1C=[N]5C)[N](=C4)C)C)ccc%12)C.[O-]Cl(=O)(=O)=O
• Title of publication: Homo- and heterometallic planes, chains and cubanes.
• Authors of publication: Meally, Seán T; Taylor, Stephanie M.; Brechin, Euan K.; Piligkos, Stergios; Jones, Leigh F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 28
• Pages of publication: 10315 - 10325
• a: 13.808 ± 0.002 Å
• b: 13.808 ± 0.002 Å
• c: 17.308 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2857.8 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.1302
• Residual factor for significantly intense reflections: 0.1108
• Weighted residual factors for significantly intense reflections: 0.2411
• Weighted residual factors for all reflections included in the refinement: 0.2471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.288
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No