Information card for entry 4079225

Structure parameters

• Formula: C24 H25 Cl2 Cr N2
• Calculated formula: C24 H25 Cl2 Cr N2
• SMILES: c1ccc2c3c(ccn2)[c]24[cH]5[c]6([cH]7[cH]2[Cr]4567(Cl)(Cl)[n]13)C1(C2CC3CC1CC(C2)C3)C
• Title of publication: Naphthyridine Cyclopentadienyl Chromium Complexes as Single-Site Catalysts for the Formation of Ultrahigh Molecular Weight Polyethylene
• Authors of publication: Sieb, David; Baker, Robert W.; Wadepohl, Hubert; Enders, Markus
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 21
• Pages of publication: 7368
• a: 7.183 ± 0.003 Å
• b: 25.925 ± 0.012 Å
• c: 11.043 ± 0.006 Å
• α: 90°
• β: 93.674 ± 0.012°
• γ: 90°
• Cell volume: 2052.2 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No