Information card for entry 4125693

Structure parameters

• Formula: C68 H60 Cl F6 N O2 Os P4
• Calculated formula: C68 H60 Cl F6 N O2 Os P4
• SMILES: [Os]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)(Cl)C=C(C=C2C=C(C1=C=NC(C)(C)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Reactions of Isocyanides with Metal Carbyne Complexes: Isolation and Characterization of Metallacyclopropenimine Intermediates.
• Authors of publication: Luo, Ming; Long, Lipeng; Zhang, Hong; Yang, Yuhui; Hua, Yuhui; Liu, Gang; Lin, Zhenyang; Xia, Haiping
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 5
• Pages of publication: 1822 - 1825
• a: 13.3911 ± 0.0004 Å
• b: 14.404 ± 0.0005 Å
• c: 17.522 ± 0.0005 Å
• α: 94.495 ± 0.002°
• β: 94.496 ± 0.002°
• γ: 101.582 ± 0.003°
• Cell volume: 3285.37 ± 0.18 ų
• Cell temperature: 172.95 ± 0.1 K
• Ambient diffraction temperature: 172.95 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No