Information card for entry 7008280

Structure parameters

• Common name: (Zr2(mu-N-2,6-C6H3Me2)2Cl4(NC5H5)4)
• Chemical name: [Zr2(mu-N-2,6-C6H3Me2)2Cl4(NC5H5)4]
• Formula: C36 H38 Cl4 N6 Zr2
• Calculated formula: C36 H38 Cl4 N6 Zr2
• SMILES: [n]1(ccccc1)[Zr]1(Cl)(N(c2c(cccc2C)C)[Zr](N1c1c(cccc1C)C)([n]1ccccc1)([n]1ccccc1)(Cl)Cl)([n]1ccccc1)Cl
• Title of publication: New and versatile routes to zirconium imido dichloride compounds.
• Authors of publication: Dubberley, Stuart R.; Evans, Simon; Boyd, Catherine L.; Mountford, Philip
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 8
• Pages of publication: 1448 - 1458
• a: 12.2186 ± 0.0001 Å
• b: 12.4098 ± 0.0002 Å
• c: 12.2628 ± 0.0002 Å
• α: 90°
• β: 105.041 ± 0.0007°
• γ: 90°
• Cell volume: 1795.71 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0298
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for all reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0253
• Weighted residual factors for all reflections included in the refinement: 0.0253
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No