Information card for entry 7036752

Structure parameters

• Common name: 1,3-bis(2,6-diisopropylphenyl)-2-(4-methoxypphenyl)-3-aza-1λ3-phosphapropene
• Chemical name: (aZ)-N-[2,6-bis(1-methylethyl)phenyl]-a-[[2,6-bis(1-methylethyl)phenyl] phosphinidene]-4-methoxy-benzenemethanamine chromium pentacarbonyl complex
• Formula: C32 H42 N O P
• Calculated formula: C32 H42 N O P
• SMILES: P(=C(Nc1c(C(C)C)cccc1C(C)C)c1ccc(OC)cc1)c1c(C(C)C)cccc1C(C)C
• Title of publication: Metal carbonyl complexes of phosphaamidines. Coordinative integrity detected in C-amino(λ(3),σ(2))-phosphaalkene isomers coordinated through n(P) HOMO-1 donor orbitals.
• Authors of publication: Masuda, Jason D.; Boeré, René T
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2102 - 2115
• a: 18.1914 ± 0.0016 Å
• b: 10.1898 ± 0.0005 Å
• c: 18.108 ± 0.0012 Å
• α: 90°
• β: 117.319 ± 0.009°
• γ: 90°
• Cell volume: 2982.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1097
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.843
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No