Information card for entry 7010148

Structure parameters

• Formula: C37 H30 B3 F6 Ir O P2
• Calculated formula: C37 H30 B3 F6 Ir O P2
• Title of publication: Transition metal complexes incorporating the BF2 ligand formed by oxidative addition of the B‒B bond in B2F4
• Authors of publication: Lu, Norman; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Timms, Peter L.; Whittell, George R.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 22
• Pages of publication: 4032
• a: 9.9312 ± 0.0008 Å
• b: 18.493 ± 0.002 Å
• c: 38.273 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7029.1 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.0582
• Goodness-of-fit parameter for all reflections: 1.097
• Goodness-of-fit parameter for significantly intense reflections: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No