Information card for entry 7004983

Structure parameters

• Common name: [ZrCl{Me3SiNC(C6H4Me)NPh}3].3(toluene)
• Formula: C72 H87 Cl N6 Si3 Zr
• Calculated formula: C72 H79 Cl N6 Si3 Zr
• Title of publication: Synthesis and structures of selected benzamidinates of Li, Na, Al, Zr and Sn(II) using the C1-symmetric ligands [N(SiMe3)C(C6H4Me-4 or Ph)NPh]-.
• Authors of publication: Hitchcock, Peter B.; Lappert, Michael F.; Merle, Philippe G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 5
• Pages of publication: 585 - 594
• a: 14.1992 ± 0.0005 Å
• b: 16.9004 ± 0.0007 Å
• c: 17.7967 ± 0.0007 Å
• α: 114.887 ± 0.002°
• β: 98.208 ± 0.002°
• γ: 105.088 ± 0.002°
• Cell volume: 3582 ± 0.3 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: 0.1034
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.2103
• Weighted residual factors for all reflections included in the refinement: 0.2258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No