Information card for entry 7710151

Structure parameters

• Formula: C63 H70 In N2 O P Te
• Calculated formula: C56 H62 In N2 O P Te
• SMILES: [Te]1[In](OC(P=1)=C1N(C(=C(N1C)C)C)C)(c1c(c2c(C)cc(cc2C)C)cccc1c1c(cc(cc1C)C)C)c1c(cccc1c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)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: 11.4267 ± 0.001 Å
• b: 28.438 ± 0.003 Å
• c: 17.4895 ± 0.0014 Å
• α: 90°
• β: 104.738 ± 0.003°
• γ: 90°
• Cell volume: 5496.3 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0898
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No