Information card for entry 4086189

Structure parameters

• Formula: C40 H59 Cr N2 P2
• Calculated formula: C40 H59 Cr N2 P2
• SMILES: C12N(C=CN1[P](C(C)(C)C)(C(C)(C)C)[Cr]=2(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)P(C(C)(C)C)C(C)(C)C
• Title of publication: N-Phosphanyl- andN,N′-Diphosphanyl-Substituted N-Heterocyclic Carbene Chromium Complexes: Synthesis, Structures, and Catalytic Ethylene Oligomerization
• Authors of publication: Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 16
• Pages of publication: 4109
• a: 21.8308 ± 0.0009 Å
• b: 11.1705 ± 0.0002 Å
• c: 16.2941 ± 0.0007 Å
• α: 90°
• β: 101.229 ± 0.001°
• γ: 90°
• Cell volume: 3897.4 ± 0.2 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: 0.1528
• Residual factor for significantly intense reflections: 0.1072
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.274
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No