Information card for entry 7038407

Structure parameters

• Formula: C34 H41 N2 P Zr
• Calculated formula: C34 H41 N2 P Zr
• Title of publication: Direct P-functionalization of azobenzene by a cationic phosphidozirconocene complex.
• Authors of publication: Normand, Adrien T.; Daniliuc, Constantin G.; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 9
• Pages of publication: 3711 - 3714
• a: 8.7851 ± 0.0003 Å
• b: 19.9807 ± 0.0008 Å
• c: 16.4334 ± 0.0005 Å
• α: 90°
• β: 93.982 ± 0.001°
• γ: 90°
• Cell volume: 2877.63 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No