Information card for entry 4133882

Structure parameters

• Formula: C18 H26 Co F6 P
• Calculated formula: C18 H26 Co F6 P
• SMILES: [c]12([cH]3[Co]4567892([cH]1[cH]4[cH]39)[c]1([cH]5[cH]7[cH]8[cH]61)C(C)(C)C)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Rational Synthesis of Metallo-Cations Toward Redox- and Alkaline-Stable Metallo-Polyelectrolytes.
• Authors of publication: Zhu, Tianyu; Sha, Ye; Adabi Firouzjaie, Horie; Peng, Xiong; Cha, Yujin; Dissanayake, D. M. M. Mevan; Smith, Mark D.; Vannucci, Aaron K.; Mustain, William Earl; Tang, Chuanbing
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 11.6313 ± 0.0004 Å
• b: 9.8968 ± 0.0004 Å
• c: 8.6586 ± 0.0003 Å
• α: 90°
• β: 105.259 ± 0.002°
• γ: 90°
• Cell volume: 961.58 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No