Information card for entry 4086184

Structure parameters

• Formula: C30 H58 Cl2 Cr N4 P2
• Calculated formula: C30 H58 Cl2 Cr N4 P2
• SMILES: C1(N(C=CN1P(C(C)(C)C)C(C)(C)C)C(C)(C)C)=[Cr](=C1N(C=CN1P(C(C)(C)C)C(C)(C)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: 10.5634 ± 0.0004 Å
• b: 11.2411 ± 0.0005 Å
• c: 15.7308 ± 0.0006 Å
• α: 90°
• β: 103.897 ± 0.001°
• γ: 90°
• Cell volume: 1813.27 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0567
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No