Information card for entry 7717039

Structure parameters

• Chemical name: TT-274
• Formula: C30 H56 B2 Cl6 N6 O2 P2
• Calculated formula: C30 H56 B2 Cl6 N6 O2 P2
• Title of publication: Synthesis of P-bridged, planar bis(NHC) BCl3 adducts
• Authors of publication: Terschüren, Tatjana; Schnakenburg, Gregor; Streubel, R.
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 9.9165 ± 0.0004 Å
• b: 10.307 ± 0.0004 Å
• c: 11.5166 ± 0.0005 Å
• α: 115.644 ± 0.001°
• β: 92.465 ± 0.002°
• γ: 97.618 ± 0.002°
• Cell volume: 1045.14 ± 0.08 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0681
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No