Information card for entry 2242588

Structure parameters

• Common name: tricarbonyl-(1,3-diphenyl-6-pyrenylfulvene) chromium (0)
• Chemical name: Tricarbonyl[1,3-diphenyl-6-(pyren-1-yl)fulvene]chromium(0)
• Formula: C37 H22 Cr O3
• Calculated formula: C37 H22 Cr O3
• SMILES: [Cr]12345([C]6(=[CH]1[C]2(=[CH]3[C]46=[CH]5c1ccc2ccc3cccc4ccc1c2c34)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: 8.6342 ± 0.0012 Å
• b: 9.407 ± 0.0013 Å
• c: 17.379 ± 0.003 Å
• α: 82.988 ± 0.002°
• β: 86.34 ± 0.002°
• γ: 70.992 ± 0.002°
• Cell volume: 1324.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes