Information card for entry 7115529

Structure parameters

• Formula: C44 H45 Ga Mo N2 O3
• Calculated formula: C44 H45 Ga Mo N2 O3
• 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: 8.82154 ± 0.00013 Å
• b: 38.0697 ± 0.0005 Å
• c: 11.69917 ± 0.00016 Å
• α: 90°
• β: 97.2432 ± 0.0013°
• γ: 90°
• Cell volume: 3897.62 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No