Information card for entry 7115528

Structure parameters

• Formula: C41 H40 Ga Mo N2 O5
• Calculated formula: C41 H40 Ga Mo N2 O5
• SMILES: [O]#C[Mo]([Ga]1[N](=C2C(c3cccc4cccc2c34)=[N]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Adaptive behavior of a redox-active gallium carbenoid in complexes with molybdenum
• Authors of publication: Igor L. Fedushkin; Vladimir G. Sokolov; Alexander V. Piskunov; Valentine M. Makarov; Eugeny V. Baranov; Gleb A. Abakumov
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 10108
• a: 17.1431 ± 0.0012 Å
• b: 15.7892 ± 0.0011 Å
• c: 14.4285 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3905.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No