Information card for entry 4077233

Structure parameters

• Formula: C23 H33 B Cl2 F4 Mo O3
• Calculated formula: C23 H33 B Cl2 F4 Mo O3
• SMILES: [Mo]123456([C]7(=[CH]1[C]2(=[CH]3[C]4(=[CH]5C67)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])C#[O].[B](F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Molybdenum Complexes with Sterically Demanding Cycloheptatrienyl Ligands
• Authors of publication: Tamm, Matthias; Bannenberg, Thomas; Dressel, Bernd; Fröhlich, Roland; Kunz, Doris
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 5
• Pages of publication: 900
• a: 10.892 ± 0.001 Å
• b: 11.195 ± 0.001 Å
• c: 13.359 ± 0.001 Å
• α: 85.04 ± 0.01°
• β: 72.54 ± 0.01°
• γ: 64.09 ± 0.01°
• Cell volume: 1395.8 ± 0.3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No