Information card for entry 2231637

Structure parameters

• Chemical name: <i>trans</i>-Tetracarbonylbis[tris(4-fluorophenyl)phosphane- κ<i>P</i>]chromium(0)
• Formula: C40 H24 Cr F6 O4 P2
• Calculated formula: C40 H24 Cr F6 O4 P2
• SMILES: c1cc(ccc1[P](c1ccc(F)cc1)(c1ccc(F)cc1)[Cr](C#[O])(C#[O])(C#[O])([P](c1ccc(cc1)F)(c1ccc(F)cc1)c1ccc(F)cc1)C#[O])F
• Title of publication: <i>trans</i>-Tetracarbonylbis[tris(4-fluorophenyl)phosphane-κ<i>P</i>]chromium(0)
• Authors of publication: Norlidah, M. N.; Hamdya, F. M. Y.; Bin Shawkataly, Omar; Rosli, Mohd Mustaqim; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1314 - m1315
• a: 11.9318 ± 0.0008 Å
• b: 18.0956 ± 0.0008 Å
• c: 15.8195 ± 0.0008 Å
• α: 90°
• β: 92.74 ± 0.001°
• γ: 90°
• Cell volume: 3411.7 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes