Information card for entry 7006612

Structure parameters

• Formula: C63 H46 B2 F24 Fe N O3 P
• Calculated formula: C63 H46 B2 F24 Fe N O3 P
• 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: 13.0324 ± 0.0002 Å
• b: 13.9949 ± 0.0002 Å
• c: 19.1002 ± 0.0003 Å
• α: 68.708 ± 0.001°
• β: 83.743 ± 0.001°
• γ: 87.48 ± 0.001°
• Cell volume: 3226.47 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1223
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1791
• Weighted residual factors for all reflections included in the refinement: 0.1992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No