Information card for entry 7038406

Structure parameters

• Formula: C58 H42 B F20 N2 P Zr
• Calculated formula: C58 H42 B F20 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: 16.6678 ± 0.0002 Å
• b: 19.118 ± 0.0002 Å
• c: 17.7773 ± 0.0003 Å
• α: 90°
• β: 111.521 ± 0.001°
• γ: 90°
• Cell volume: 5269.89 ± 0.13 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No