Information card for entry 7006777

Structure parameters

• Formula: C35 H48 N2 Ni P
• Calculated formula: C35 H48 N2 Ni P
• SMILES: [Ni]1(N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)[PH2]c1ccccc1
• Title of publication: P-H and P-P bond activation by Ni(I) and Fe(I) beta-diketiminato-complexes.
• Authors of publication: Bai, Guangcai; Wei, Pingrong; Das, Anjan K.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 9
• Pages of publication: 1141 - 1146
• a: 15.6612 ± 0.0018 Å
• b: 16.3201 ± 0.0019 Å
• c: 26.832 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6858.1 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1385
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No