Information card for entry 4086186

Structure parameters

• Formula: C46 H74 Cl2 Cr N4 P2
• Calculated formula: C46 H74 Cl2 Cr N4 P2
• SMILES: C1(N(C=CN1P(C(C)(C)C)C(C)(C)C)c1c(C(C)C)cccc1C(C)C)=[Cr](=C1N(C=CN1P(C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)(Cl)Cl
• 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: 23.054 ± 0.002 Å
• b: 12.9291 ± 0.0013 Å
• c: 16.8008 ± 0.0017 Å
• α: 90°
• β: 99.958 ± 0.002°
• γ: 90°
• Cell volume: 4932.3 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.2101
• Weighted residual factors for all reflections included in the refinement: 0.251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No