Information card for entry 7006781

Structure parameters

• Formula: C80.5 H103.5 N4 Ni2 P2
• Calculated formula: C80.5 H103.5 N4 Ni2 P2
• 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: 23.028 ± 0.006 Å
• b: 13.781 ± 0.004 Å
• c: 24.031 ± 0.007 Å
• α: 90°
• β: 106.742 ± 0.008°
• γ: 90°
• Cell volume: 7303 ± 4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1636
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.1813
• Weighted residual factors for all reflections included in the refinement: 0.2182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No