Information card for entry 1558456

Structure parameters

• Chemical name: [1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2<i>H</i>-imidazol-2-ylidene]triiodoborane benzene hemisolvate
• Formula: C30 H39 B I3 N2
• Calculated formula: C30 H39 B I3 N2
• Title of publication: [1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2<i>H</i>-imidazol-2-ylidene]triiodoborane benzene hemisolvate
• Authors of publication: Schödel, Frauke; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 6
• Pages of publication: x200863
• a: 16.01 ± 0.0014 Å
• b: 12.5361 ± 0.0011 Å
• c: 16.3086 ± 0.0018 Å
• α: 90°
• β: 90.041 ± 0.008°
• γ: 90°
• Cell volume: 3273.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1191
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.2575
• Weighted residual factors for all reflections included in the refinement: 0.2669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes