Information card for entry 4101287

Structure parameters

• Formula: C23 H25 Cl3 Cr F6 N5 O2 Sb
• Calculated formula: C22 H24 Cl Cr F6 N5 O2 Sb
• SMILES: [Cr]123(Cl)([n]4c5ccccc5[nH]c4C[N]1(C)Cc1[nH]c4ccccc4[n]21)OC(=CC(=[O]3)C)C.[Sb]([F-])([F-])(F)(F)([F-])F
• Title of publication: An unprecedented alpha-olefin distribution arising from a homogeneous ethylene oligomerization catalyst.
• Authors of publication: Tomov, Atanas K; Chirinos, Juan J; Long, Richard J; Gibson, Vernon C; Elsegood, Mark R J
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 24
• Pages of publication: 7704 - 7705
• a: 9.9577 ± 0.0008 Å
• b: 12.1717 ± 0.0009 Å
• c: 12.9933 ± 0.001 Å
• α: 92.232 ± 0.002°
• β: 104.417 ± 0.002°
• γ: 103.785 ± 0.002°
• Cell volume: 1473.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No