Information card for entry 7006613

Structure parameters

• Common name: sa0416
• Formula: C152 H112 B4 F96 N4
• Calculated formula: C38 H28 B F24 N
• Title of publication: Synthetic and reaction chemistry of heteroatom stabilized boryl and cationic borylene complexes.
• Authors of publication: Kays Née Coombs, Deborah L; Rossin, Andrea; Day, Joanne K.; Ooi, Li-Ling; Aldridge, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 2
• Pages of publication: 399 - 410
• a: 22.319 ± 0.0004 Å
• b: 16.0297 ± 0.0005 Å
• c: 15.4055 ± 0.0005 Å
• α: 90°
• β: 133.211 ± 0.001°
• γ: 90°
• Cell volume: 4017 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1763
• Weighted residual factors for all reflections included in the refinement: 0.1917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No