Information card for entry 4080755

Structure parameters

• Formula: C23 H47 Cl Ni2 P2
• Calculated formula: C23 H47 Cl Ni2 P2
• SMILES: [Ni]123([Ni]4([Cl]1)([P](C(C)C)(C(C)C)C(C)C)[CH]12=[CH]3C=CC41)[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: 7.7246 ± 0.0015 Å
• b: 11.666 ± 0.002 Å
• c: 29.958 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2699.7 ± 0.9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No