Information card for entry 7006778

Structure parameters

• Formula: C41 H52 N2 Ni P
• Calculated formula: C41 H51.86 N2 Ni P
• 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: 13.311 ± 0.0016 Å
• b: 20.471 ± 0.002 Å
• c: 14.5076 ± 0.0017 Å
• α: 90°
• β: 101.689 ± 0.002°
• γ: 90°
• Cell volume: 3871.2 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1294
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No