Information card for entry 4086187

Structure parameters

• Formula: C38 H76 Cl2 Cr N4 P4
• Calculated formula: C38 H76 Cl2 Cr N4 P4
• SMILES: C1(N(C=CN1P(C(C)(C)C)C(C)(C)C)P(C(C)(C)C)C(C)(C)C)=[Cr](=C1N(C=CN1P(C(C)(C)C)C(C)(C)C)P(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: 13.035 ± 0.004 Å
• b: 14.785 ± 0.005 Å
• c: 14.088 ± 0.004 Å
• α: 90°
• β: 118.28 ± 0.02°
• γ: 90°
• Cell volume: 2391 ± 1.4 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: 0.158
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2044
• Weighted residual factors for all reflections included in the refinement: 0.2534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No