Information card for entry 2200763

Structure parameters

• Formula: C18 H24 B4 F4 Mo O2
• Calculated formula: C18 H24 B4 F4 Mo O2
• SMILES: [Mo]12345678(C#[O])(C#[O])([B]9([C]1(C)=[C]2(B([C]4(=[C]39C)C)F)C)F)[B]1([C]8(=[C]7(B([C]5(C)=[C]61C)F)C)C)F
• Title of publication: Dicarbonylbis(1,4-difluoro-2,3,5,6-tetramethyl-1,4-diboracyclohexa-2,5-diene)molybdenum
• Authors of publication: Anderson, Kirsty M.; Kündig, E. Peter; Norman, Nicholas C.; Orpen, A. Guy; Pardoe, Jennifer A.J.; Smith, David W.; Timms, Peter L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: m419 - m420
• a: 14.9106 ± 0.001 Å
• b: 8.9361 ± 0.0006 Å
• c: 30.252 ± 0.002 Å
• α: 90°
• β: 102.074 ± 0.009°
• γ: 90°
• Cell volume: 3941.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes