Information card for entry 7117600

Structure parameters

• Formula: C41 H56 B2 Cl4 Fe2 N2 O4
• Calculated formula: C41 H56 B2 Cl4 Fe2 N2 O4
• Title of publication: Activation of boryl-, borylene and metalloborylene complexes by isonitriles.
• Authors of publication: Braunschweig, Holger; Ewing, William C.; Ferkinghoff, Katharina; Hermann, Alexander; Kramer, Thomas; Shang, Rong; Siedler, Eva; Werner, Christine
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 65
• Pages of publication: 13032 - 13035
• a: 9.156 ± 0.005 Å
• b: 10.84 ± 0.006 Å
• c: 22.94 ± 0.012 Å
• α: 90°
• β: 100.259 ± 0.015°
• γ: 90°
• Cell volume: 2240 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0265
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No