Information card for entry 4080756

Structure parameters

• Formula: C27 H49 Cl Ni2 P2
• Calculated formula: C27 H49 Cl Ni2 P2
• SMILES: [Ni]123([Ni]4([Cl]1)([P](C(C)C)(C(C)C)C(C)C)C1[CH]24=[CH]3c2ccccc12)[P](C(C)C)(C(C)C)C(C)C
• Title of publication: Dinuclear Ni(I)—Ni(I) Complexes with Syn-Facial Bridging Ligands from Ni(I) Precursors or Ni(II)/Ni(0) Comproportionation
• Authors of publication: Beck, Robert; Johnson, Samuel A.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 10
• Pages of publication: 2944
• a: 16.456 ± 0.003 Å
• b: 8.149 ± 0.0016 Å
• c: 22.477 ± 0.005 Å
• α: 90°
• β: 95 ± 0.03°
• γ: 90°
• Cell volume: 3002.7 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No