Information card for entry 7713834

Structure parameters

• Formula: C29 H38 Cl Cr N
• Calculated formula: C29 H38 Cl Cr N
• SMILES: [Cr]1234(Cl)([cH]5[c]61[c]2(cccc6)[cH]3[cH]45)=C1N(C(CC1(C)C)(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: N Heterocyclic Carbene and Cyclic (Alkyl)(Amino)Carbene ligated Half-Sandwich Complexes of Chromium(II) and Chromium(I)
• Authors of publication: Horrer, Günther; Luff, Martin Simon; Radius, Udo
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.774 ± 0.0001 Å
• b: 14.5659 ± 0.0001 Å
• c: 17.1932 ± 0.0002 Å
• α: 90°
• β: 107.799 ± 0.001°
• γ: 90°
• Cell volume: 2569.03 ± 0.04 ų
• Cell temperature: 100 ± 0.1 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: 0.0306
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No