Information card for entry 7713829

Structure parameters

• Formula: C37 H46 Cr N2
• Calculated formula: C37 H46 Cr N2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Cr]2345(N(c1ccccc1)c1ccccc1)=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: 9.9514 ± 0.0002 Å
• b: 10.4567 ± 0.0002 Å
• c: 16.9742 ± 0.0002 Å
• α: 100.514 ± 0.001°
• β: 96.189 ± 0.001°
• γ: 111.365 ± 0.002°
• Cell volume: 1587.75 ± 0.05 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No