Information card for entry 7010147

Structure parameters

• Formula: C28 H28 B2 F4 P2 Pt
• Calculated formula: C28 H28 B2 F4 P2 Pt
• SMILES: [Pt]1(B(F)F)(B(F)F)[P](c2ccccc2)(c2ccccc2)CCCC[P]1(c1ccccc1)c1ccccc1
• 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: 8.924 ± 0.004 Å
• b: 11.185 ± 0.007 Å
• c: 14.678 ± 0.012 Å
• α: 85.61 ± 0.06°
• β: 80.07 ± 0.05°
• γ: 71.32 ± 0.04°
• Cell volume: 1366.8 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.0647
• Goodness-of-fit parameter for all reflections: 0.988
• Goodness-of-fit parameter for significantly intense reflections: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No