Information card for entry 4068146

Structure parameters

• Formula: C67 H45.5 B F24.5 Fe O P2
• Calculated formula: C67 H45.5 B F24.5 Fe O P2
• Title of publication: (Dimethylamino)borylene and Related Complexes of Electron-Rich Metal Fragments: Generation of Nucleophile-Resistant Cations by Spontaneous Halide Ejection
• Authors of publication: Addy, David A.; Phillips, Nicholas; Pierce, Glesni A.; Vidovic, Dragoslav; Krämer, Tobias; Mallick, Dibyendu; Jemmis, Eluvathingal D.; Reid, Gill; Aldridge, Simon
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 1092
• a: 12.6791 ± 0.0001 Å
• b: 13.827 ± 0.0002 Å
• c: 18.7636 ± 0.0002 Å
• α: 100.249 ± 0.0005°
• β: 101.152 ± 0.0005°
• γ: 95.9108 ± 0.0005°
• Cell volume: 3143.59 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.083
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for all reflections: 0.1822
• Weighted residual factors for significantly intense reflections: 0.1715
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9246
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No