Information card for entry 4080761

Structure parameters

• Formula: C42 H62 B Cl Ni2 P2
• Calculated formula: C42 H62 B Cl Ni2 P2
• SMILES: [Ni]123([Ni]456([Cl]1)([P](C(C)C)(C(C)C)C(C)C)[CH]1=[CH]3[CH]2=[C]6([CH]5=[CH]41)[B](c1ccccc1)(c1ccccc1)c1ccccc1)[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: 34.726 ± 0.007 Å
• b: 11.609 ± 0.002 Å
• c: 21.98 ± 0.004 Å
• α: 90°
• β: 112.26 ± 0.03°
• γ: 90°
• Cell volume: 8201 ± 3 ų
• Cell temperature: 130.15 K
• Ambient diffraction temperature: 130.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1039
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No