Information card for entry 7014609

Structure parameters

• Formula: C19 H15 Co2 Cr F O8
• Calculated formula: C19 H15 Co2 Cr F O8
• SMILES: [Cr]123456([Co]7([Co]1(C#[O])(C#[O])(C#[O])C27F)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• 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: 8.6778 ± 0.0005 Å
• b: 11.1284 ± 0.0007 Å
• c: 21.9659 ± 0.0013 Å
• α: 90°
• β: 95.26 ± 0.001°
• γ: 90°
• Cell volume: 2112.3 ± 0.2 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 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: 0.0256
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No