Information card for entry 4076315

Structure parameters

• Formula: C28 H33 Cl Cr N2
• Calculated formula: C28 H33 Cl Cr N2
• SMILES: C12N(C=CN1CC[c]13[cH]4[cH]5[c]67[c]1(c(ccc6C)C)[Cr]=23457Cl)c1c(cccc1C(C)C)C(C)C
• Title of publication: Indenyl Functionalized N-Heterocyclic Carbene Complexes of Chromium: Syntheses, Structures, and Reactivity Studies Relevant to Ethylene Oligomerization and Polymerization
• Authors of publication: Conde-Guadano, Susana; Danopoulos, Andreas A.; Pattacini, Roberto; Hanton, Martin; Tooze, Robert P.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 1643
• a: 14.1911 ± 0.0005 Å
• b: 22.616 ± 0.0007 Å
• c: 15.8258 ± 0.0005 Å
• α: 90°
• β: 89.983 ± 0.002°
• γ: 90°
• Cell volume: 5079.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1098
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No