Information card for entry 4083552

Structure parameters

• Formula: C34 H48 B2 Cr Si2
• Calculated formula: C34 H48 B2 Cr Si2
• SMILES: [B]12([CH]3=[CH]4[Cr]56789%10%1113([B]1(=[C]5([CH]7=[CH]9[CH]%10=[CH]%111)[Si](C)(C)C)c1c(cc(cc1C)C)C)[C]=2([CH]6=[CH]48)[Si](C)(C)C)c1c(cc(cc1C)C)C
• Title of publication: Synthesis and Reactivity of Novel Mesityl Boratabenzene Ligands and Their Coordination to Transition Metals
• Authors of publication: Mushtaq, Ambreen; Bi, Wenhua; Légaré, Marc-André; Fontaine, Frédéric-Georges
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 12
• Pages of publication: 3173
• a: 7.6301 ± 0.0001 Å
• b: 8.7305 ± 0.0001 Å
• c: 13.4808 ± 0.0001 Å
• α: 96.492 ± 0.001°
• β: 92.494 ± 0.001°
• γ: 110.843 ± 0.001°
• Cell volume: 830.471 ± 0.017 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No