Information card for entry 7011990

Structure parameters

• Common name: [C6H4{CH2N(C6H4iPr2)Zr(NMe2)3}2]
• Formula: C44 H74 N8 Zr2
• Calculated formula: C44 H74 N8 Zr2
• SMILES: [Zr](N(c1c(cccc1C(C)C)C(C)C)Cc1cccc(c1)CN([Zr](N(C)C)(N(C)C)N(C)C)c1c(cccc1C(C)C)C(C)C)(N(C)C)(N(C)C)N(C)C
• Title of publication: Synthesis and structures of dinuclear low-coordinate lithium and zirconium(IV) complexes derived from the diamido ligands 1,3-(CH2C6H3R12)2C6H4(R1= Me or Pri)
• Authors of publication: Stéphane Daniele; Peter B. Hitchcock; Michael F. Lappert; Terence A. Nile; Colette M. Zdanski
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 21
• Pages of publication: 3980 - 3984
• a: 11.315 ± 0.004 Å
• b: 12.706 ± 0.006 Å
• c: 18.04 ± 0.007 Å
• α: 75.53 ± 0.04°
• β: 77.94 ± 0.03°
• γ: 84.97 ± 0.03°
• Cell volume: 2454.2 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1363
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No