Information card for entry 7711891

Structure parameters

• Formula: C54 H31 B F20 W1.02 Zr2.04
• Calculated formula: C54 H31 B F20 W1.0181 Zr2.0362
• Title of publication: Tweaking the bridge in metallocene Zr(IV)/W(IV) bimetallic hydrides.
• Authors of publication: Fernando, Selwin; Landrini, Martina; Macchioni, Alceo; Hughes, David L.; Budzelaar, Peter H. M.; Rocchigiani, Luca
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 394 - 408
• a: 14.85184 ± 0.00019 Å
• b: 8.23727 ± 0.00011 Å
• c: 19.394 ± 0.0002 Å
• α: 90°
• β: 96.9574 ± 0.0012°
• γ: 90°
• Cell volume: 2355.16 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0186
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.0434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No