Information card for entry 7716196

Structure parameters

• Formula: C36 H30 Br4 O2 P2 Zr
• Calculated formula: C36 H30 Br4 O2 P2 Zr
• Title of publication: Complexation and disproportionation of group 4 metal (alkoxy) halides with phosphine oxides.
• Authors of publication: Seno, Carlotta; Pokratath, Rohan; Unniram Parambil, Ajmal Roshan; Van den Eynden, Dietger; Dhaene, Evert; Prescimone, Alessandro; De Roo, Jonathan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 23
• Pages of publication: 9862 - 9873
• a: 9.998 ± 0.0003 Å
• b: 15.5366 ± 0.0005 Å
• c: 11.8659 ± 0.0003 Å
• α: 90°
• β: 100.875 ± 0.002°
• γ: 90°
• Cell volume: 1810.09 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.2181
• Weighted residual factors for all reflections included in the refinement: 0.2455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No