Information card for entry 7710080

Structure parameters

• Chemical name: 1,3-bis(2,6-diisopropylphenyl)-2-((1,3-dimethyl-1,3-dihydro-2H-imidazol-2-ylidene)phosphaneyl)-2,3-dihydro-1H-1,3,2-diazaborole
• Formula: C31 H44 B N4 P
• Calculated formula: C31 H44 B N4 P
• Title of publication: A neutral analogue of a phosphamethine cyanine
• Authors of publication: Cicač-Hudi, Mario; Kaaz, Manuel; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 13.1468 ± 0.0005 Å
• b: 12.2571 ± 0.0005 Å
• c: 19.3695 ± 0.0007 Å
• α: 90°
• β: 101.993 ± 0.002°
• γ: 90°
• Cell volume: 3053.1 ± 0.2 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 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: 0.1251
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No