Information card for entry 4086188

Structure parameters

• Formula: C44 H58 Cr N2 P
• Calculated formula: C44 H58 Cr N2 P
• SMILES: C12N(C=CN1[P](C(C)(C)C)(C(C)(C)C)[Cr]=2(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)c1c(cccc1C(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: 10.0437 ± 0.0003 Å
• b: 13.3177 ± 0.0004 Å
• c: 16.8347 ± 0.0006 Å
• α: 80.345 ± 0.001°
• β: 78.259 ± 0.001°
• γ: 72.614 ± 0.001°
• Cell volume: 2090.14 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No