Information card for entry 2242587

Structure parameters

• Common name: tricarbonyl-(1,3-diphenyl-6-(3-vinylphenyl)fulvene) chromium (0)
• Chemical name: Tricarbonyl[1,3-diphenyl-6-(3-vinylphenyl)fulvene]chromium(0)
• Formula: C29 H20 Cr O3
• Calculated formula: C29 H20 Cr O3
• SMILES: [Cr]12345([C]6(=[CH]1[C]2(=[CH]3[C]46=[CH]5c1cccc(c1)C=C)c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Coordination complexes of chromium(0) with a series of 1,3-diphenyl-6-arylfulvenes
• Authors of publication: Peloquin, Andrew J.; Smith, Madelyn B.; O'Connell, Bryce J.; Ghiassi, Kamran B.; Balaich, Gary J.; Iacono, Scott T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 9
• Pages of publication: 1190 - 1194
• a: 15.624 ± 0.004 Å
• b: 8.149 ± 0.002 Å
• c: 17.396 ± 0.004 Å
• α: 90°
• β: 90.706 ± 0.003°
• γ: 90°
• Cell volume: 2214.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0612
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes