Information card for entry 7010473

Structure parameters

• Formula: C28 H23 Cr Mo2 N O7
• Calculated formula: C28 H23 Cr Mo2 N O7
• SMILES: [Mo]12345([cH]6[cH]2[cH]5[cH]4[cH]36)(C#[O])(C#[O])[C]2(CN(C)C)[Mo]3456([C]1=2[c]12[Cr]789%10([cH]1[cH]7[cH]%10[cH]8[cH]29)(C#[O])(C#[O])C#[O])([cH]1[cH]3[cH]4[cH]5[cH]61)(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: 8.8575 ± 0.0006 Å
• b: 17.2298 ± 0.001 Å
• c: 17.6676 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2696.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No