Information card for entry 7711892

Structure parameters

• Formula: C47 H30 B F20 P W Zr
• Calculated formula: C47 H30 B F20 P W Zr
• SMILES: [WH2]12345678([cH]9[cH]8[cH]3[cH]1[cH]29)[cH]1[cH]4[cH]5[cH]6[c]71[Zr]12345678([P](C)(C)C)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]7[cH]8[cH]61.Fc1c(F)c(F)c(c(F)c1[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)F
• 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: 16.6914 ± 0.0018 Å
• b: 17.9195 ± 0.0019 Å
• c: 18.449 ± 0.002 Å
• α: 98.483 ± 0.003°
• β: 107.679 ± 0.003°
• γ: 115.933 ± 0.003°
• Cell volume: 4467.9 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Ka
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No