Information card for entry 7115530

Structure parameters

• Formula: C104 H118 Ga2 Mo2 N4 Na2 O14
• Calculated formula: C104 H118 Ga2 Mo2 N4 Na2 O14
• SMILES: [Ga]1(N(C2=C(N1c1c(cccc1C(C)C)C(C)C)c1cccc3cccc2c13)c1c(cccc1C(C)C)C(C)C)[Mo]1(C#[O])(C#[O])(C#[O])C#[O][Na]([O]#C[Mo]([Ga]2N(C3=C(N2c2c(cccc2C(C)C)C(C)C)c2cccc4cccc3c24)c2c(cccc2C(C)C)C(C)C)(C#[O])(C#[O])(C#[O])C#[O][Na+]([O]#C1)([O]1CCCC1)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1.c1ccccc1
• 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: 12.162 ± 0.0017 Å
• b: 12.7895 ± 0.0018 Å
• c: 16.926 ± 0.002 Å
• α: 72.066 ± 0.002°
• β: 83.271 ± 0.002°
• γ: 85.462 ± 0.002°
• Cell volume: 2485 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No