Information card for entry 7127927

Structure parameters

• Formula: C33 H41 Fe Ga N4 O4
• Calculated formula: C33 H41 Fe Ga N4 O4
• SMILES: [Ga]1(N(c2c([N]1=C1N(C(=C(N1C(C)C)C)C)C(C)C)cccc2)c1c(cccc1C(C)C)C(C)C)[Fe](C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: "Give me five" - an amino imidazoline-2-imine ligand stabilises the first neutral five-membered cyclic triel(I) carbenoides.
• Authors of publication: Denker, Lars; Trzaskowski, Bartosz; Frank, René
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 22
• Pages of publication: 2816 - 2819
• a: 21.5254 ± 0.0002 Å
• b: 10.2619 ± 0.0001 Å
• c: 30.784 ± 0.0003 Å
• α: 90°
• β: 94.43 ± 0.001°
• γ: 90°
• Cell volume: 6779.61 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No