Information card for entry 4114289

Structure parameters

• Common name: dmcrcnc
• Formula: C18 H23 Cl5 Cr N5
• Calculated formula: C18 H23 Cl5 Cr N5
• Title of publication: Bis(carbene)pyridine Complexes of Cr(III): Exceptionally Active Catalysts for the Oligomerization of Ethylene
• Authors of publication: David S. McGuinness; Vernon C. Gibson; Duncan F. Wass; Jonathan W. Steed
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 12716 - 12717
• a: 12.6464 ± 0.0004 Å
• b: 12.0047 ± 0.0004 Å
• c: 15.3782 ± 0.0006 Å
• α: 90°
• β: 94.742 ± 0.001°
• γ: 90°
• Cell volume: 2326.67 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1282
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1795
• 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: Yes
• Has Fobs: No