Information card for entry 4031979

Structure parameters

• Formula: C40 H47 B Cl2 F4 Ir N2 P
• Calculated formula: C40 H47 B Cl2 F4 Ir N2 P
• Title of publication: A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.
• Authors of publication: Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2016
• Journal volume: 12
• Pages of publication: 846 - 853
• a: 12.47669 ± 0.00019 Å
• b: 15.7562 ± 0.0002 Å
• c: 19.5579 ± 0.0003 Å
• α: 89.2424 ± 0.0012°
• β: 89.4178 ± 0.0012°
• γ: 89.6008 ± 0.0012°
• Cell volume: 3844.17 ± 0.1 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 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: 0.062
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No