Information card for entry 4085452

Structure parameters

• Chemical name: Pentacarbonyl-diphenylphosphinephen-diyl-ethoxymethylene-chromium
• Formula: C26 H19 Cr N O6
• Calculated formula: C26 H19 Cr N O6
• SMILES: [Cr](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=C(OCC)c1ccc(cc1)N(c1ccccc1)c1ccccc1
• Title of publication: Fischer-Type Carbene Complexes of Tris(1,4-phenylene)amines and Tri(2-furyl)phosphine
• Authors of publication: Weststrate, Nora-ann; Fernández, Israel; Liles, David C.; van Jaarsveld, Nina; Lotz, Simon
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 4
• Pages of publication: 696
• a: 9.2423 ± 0.0006 Å
• b: 9.779 ± 0.0007 Å
• c: 13.6276 ± 0.0009 Å
• α: 82.98 ± 0.001°
• β: 71.653 ± 0.001°
• γ: 82.6 ± 0.001°
• Cell volume: 1154.95 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No