Information card for entry 7010150

Structure parameters

• Formula: C6.86 H20.57 B0.57 Co0.57 F2.29 P2.29
• Calculated formula: C6.85714 H20.5714 B0.571429 Co0.571429 F2.28571 P2.28571
• 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: 13.2859 ± 0.0006 Å
• b: 13.2859 ± 0.0006 Å
• c: 13.2859 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2345.16 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No