Information card for entry 7010472

Structure parameters

• Formula: C21 H15 Co2 Cr N O9
• Calculated formula: C21 H15 Co2 Cr N O9
• SMILES: [Cr]12345([c]6([C]78[Co]9([Co]7([C]=89C(N(C)C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[cH]1[cH]2[cH]3[cH]4[cH]56)(C#[O])(C#[O])C#[O]
• Title of publication: Heterometallic metal carbonyl compounds derived from (η6-arene)tricarbonylchromium bearing propargyl units
• Authors of publication: Casagrande, Jr., Osvaldo L.; Gomes, Elton L. S.; Dupont, Jairton; Burrow, Robert; Lough, Alan J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 10
• Pages of publication: 1634
• a: 8.2527 ± 0.0001 Å
• b: 16.0306 ± 0.0001 Å
• c: 18.2571 ± 0.0003 Å
• α: 90°
• β: 99.807 ± 0.001°
• γ: 90°
• Cell volume: 2380.04 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0494
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.064
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No