Information card for entry 7027439

Structure parameters

• Formula: C49 H51 B Cl4 N2 O W
• Calculated formula: C49 H49 B Cl4 N2 O1.128 W
• Title of publication: Synthesis and crystal structure of the 16 e− cationic tungsten(IV) complex [WCp*(4,4′-Me2bipy)Cl2]+BPh4− †
• Authors of publication: Cremer, Christian; Burger, Peter
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 12
• Pages of publication: 1967
• a: 22.428 ± 0.002 Å
• b: 9.2642 ± 0.0006 Å
• c: 23.646 ± 0.002 Å
• α: 90°
• β: 115.132 ± 0.009°
• γ: 90°
• Cell volume: 4448 ± 0.7 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.0668
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No