Information card for entry 7014608

Structure parameters

• Formula: C14 H5 Co2 F Mo O8
• Calculated formula: C14 H5 Co2 F Mo O8
• SMILES: [Mo]123456([Co]7([Co]1(C67F)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([cH]1[cH]2[cH]3[cH]4[cH]51)(C#[O])C#[O]
• Title of publication: Synthesis and structural characterization of group 6 transition metal complexes with terminal fluoromethylidyne (CF) ligands; a DFT/NBO/NRT comparison of bonding characteristics of terminal NO, CF and CH ligands.
• Authors of publication: Huang, Hui; Hughes, Russell P.; Rheingold, Arnold L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 1
• Pages of publication: 47 - 55
• a: 19.664 ± 0.005 Å
• b: 8.982 ± 0.002 Å
• c: 19.389 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3424.5 ± 1.5 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No