Information card for entry 1568619

Structure parameters

• Formula: C18 H22 B F Mo N6 O2
• Calculated formula: C18 H22 B F Mo N6 O2
• SMILES: [Mo]12([n]3n(c(cc3C)C)[BH](n3[n]1c(cc3C)C)n1[n]2c(cc1C)C)(#CF)(C#[O])C#[O]
• Title of publication: Fluorocarbyne complexes <i>via</i> electrophilic fluorination of carbido ligands.
• Authors of publication: Manzano, Richard A.; Hill, Anthony F.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 3776 - 3781
• a: 7.9256 ± 0.0003 Å
• b: 13.8329 ± 0.0007 Å
• c: 19.194 ± 0.0009 Å
• α: 90°
• β: 96.493 ± 0.004°
• γ: 90°
• Cell volume: 2090.82 ± 0.17 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0715
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No