Information card for entry 8102036

Structure parameters

• Chemical name: tetrakis[(4-methyl-pyridin-2-yl)-trimethylsilanyl-amido]zirconium(IV)
• Formula: C36 H60 N8 Si4 Zr
• Calculated formula: C36 H60 N8 Si4 Zr
• SMILES: c1cc(cc2[n]1[Zr]134(N2[Si](C)(C)C)(N(c2cc(cc[n]23)C)[Si](C)(C)C)(N(c2cc(cc[n]24)C)[Si](C)(C)C)[n]2ccc(cc2N1[Si](C)(C)C)C)C
• Title of publication: Crystal structure of tetrakis[(4-methyl-pyridin-2-yl)tri-methylsilanyl- amido]zirconium(IV), Zr(C~9~H~15~N~2~Si)~4~
• Authors of publication: Noor, A.; Irrgang, T.; Kempe, R.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 3
• Pages of publication: 415 - 418
• a: 12.036 ± 0.0006 Å
• b: 18.804 ± 0.0009 Å
• c: 21.581 ± 0.0011 Å
• α: 69.448 ± 0.004°
• β: 75.278 ± 0.004°
• γ: 88.159 ± 0.004°
• Cell volume: 4414.5 ± 0.4 ų
• Cell temperature: 191 ± 2 K
• Ambient diffraction temperature: 191 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No