Information card for entry 7112790

Structure parameters

• Formula: C43 H51 Cl3 N6 Ni3 O6
• Calculated formula: C43 H51 Cl3 N6 Ni3 O6
• SMILES: [Ni]12345([Ni]6789%10([Ni]%11%12([O]16CCc1[n]2cccc1)([O]38CCc1[n]%12cccc1)([O]9CCc1[n]7cccc1)OCCc1[n]%11cccc1)[O]4CCc1[n]%10cccc1)[OH]CCc1[n]5cccc1.C(Cl)Cl.[Cl-]
• 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: 15.2974 ± 0.0004 Å
• b: 18.2533 ± 0.0005 Å
• c: 21.4614 ± 0.0005 Å
• α: 74.3 ± 0.001°
• β: 82.417 ± 0.001°
• γ: 65.885 ± 0.001°
• Cell volume: 5264 ± 0.2 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: 0.0828
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No