Information card for entry 7112789

Structure parameters

• Formula: C120 H122 N20 Na10 Ni6 O22
• Calculated formula: C120 H122 N20 Na10 Ni6 O22
• SMILES: [Ni]123(OCc4[n]3cccc4)(OCc3[n]2cccc3)OCc2[n]1cccc2.[Ni]123(OCc4[n]3cccc4)(OCc3[n]2cccc3)OCc2[n]1cccc2.[Ni]123(OCc4[n]3cccc4)(OCc3[n]1cccc3)OCc1[n]2cccc1.[Na+].[Na+].[Na+].[Na+].[Na+].[OH-].[O-]Cc1ncccc1
• Title of publication: Nuclearity of nickel and mixed sodium-nickel complexes: dependence on the spacer in chelating pyridine-alcoholate ligands.
• Authors of publication: Kayser, Laure; Pattacini, Roberto; Rogez, Guillaume; Braunstein, Pierre
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 35
• Pages of publication: 6461 - 6463
• a: 16.6401 ± 0.0009 Å
• b: 18.7399 ± 0.0009 Å
• c: 28.9389 ± 0.0013 Å
• α: 98.239 ± 0.003°
• β: 91.523 ± 0.003°
• γ: 97.769 ± 0.003°
• Cell volume: 8839.3 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1168
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No