Information card for entry 4312355

Structure parameters

• Formula: C44 H56 N4 O Zr
• Calculated formula: C44 H56 N4 O Zr
• SMILES: [Zr]1(n2c(C(c3ccccc3)c3n1c1c(c3C)cccc1)c(c1ccccc21)C)(N(CC)CC)(N(CC)CC)[O]1CCCC1.c1(ccccc1)C
• Title of publication: Titanium and Zirconium Amido Complexes Ligated by 2,2'-Di(3-methylindolyl)methanes: Synthesis, Characterization, and Ethylene Polymerization Activity
• Authors of publication: Mark R. Mason; Bassam N. Fneich; Kristin Kirschbaum
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6592 - 6594
• a: 8.8675 ± 0.0013 Å
• b: 18.53 ± 0.003 Å
• c: 23.781 ± 0.004 Å
• α: 90°
• β: 95.894 ± 0.002°
• γ: 90°
• Cell volume: 3886.9 ± 1.1 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No