Information card for entry 7710153

Structure parameters

• Formula: C56 H62 Ga N2 O P Te
• Calculated formula: C56 H62 Ga N2 O P Te
• SMILES: [Te]1[Ga](OC(P=1)=C1N(C(=C(N1C)C)C)C)(c1c(cccc1c1c(cc(cc1C)C)C)c1c(C)cc(cc1C)C)c1c(cccc1c1c(C)cc(C)cc1C)c1c(cc(cc1C)C)C
• Title of publication: Heavier Bis(m-terphenyl)element phosphaethynolates of Group 13
• Authors of publication: Duvinage, Daniel; Janssen, Marvin; Lork, Enno; Grützmacher, Hansjörg; Mebs, Stefan; Beckmann, Jens
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.685 ± 0.0008 Å
• b: 33.106 ± 0.002 Å
• c: 13.6771 ± 0.0012 Å
• α: 90°
• β: 110.903 ± 0.002°
• γ: 90°
• Cell volume: 4942.7 ± 0.6 ų
• Cell temperature: 100.01 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No