Information card for entry 7713828

Structure parameters

• Formula: C19 H27 Cr N2 O2
• Calculated formula: C19 H27 Cr N2 O2
• SMILES: C1(N(C(=C(N1C)C)C)C)=[Cr]1234(C#[O])(C#[O])[c]5([c]4([c]3([c]2([c]15C)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: 16.8832 ± 0.0002 Å
• b: 8.3977 ± 0.0001 Å
• c: 14.6843 ± 0.0002 Å
• α: 90°
• β: 114.249 ± 0.001°
• γ: 90°
• Cell volume: 1898.25 ± 0.04 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No