Information card for entry 7127298

Structure parameters

• Formula: C62 H56 N7 O2 P2 Re
• Calculated formula: C62 H56 N7 O2 P2 Re
• SMILES: OCC.OCC.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Re](C#N)(#N)(C#N)(C#N)(C#N)[n]1ccc(cc1)C#N
• Title of publication: Vapor switching of the luminescence mechanism in a Re(V) complex.
• Authors of publication: Sasaki, Kenta; Yamate, Hitomi; Yoshino, Haruka; Miura, Hiroki; Shimoda, Yuushi; Miyata, Kiyoshi; Onda, Ken; Ohtani, Ryo; Ohba, Masaaki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 85
• Pages of publication: 12961 - 12964
• a: 13.6167 ± 0.001 Å
• b: 14.0119 ± 0.001 Å
• c: 15.9593 ± 0.0011 Å
• α: 109.223 ± 0.001°
• β: 90.428 ± 0.001°
• γ: 106.99 ± 0.001°
• Cell volume: 2731.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No