Information card for entry 7712530

Structure parameters

• Formula: C18 H16 N6
• Calculated formula: C18 H16 N6
• Title of publication: Using a diphenyl-bi-(1,2,4-triazole) tricarbonylrhenium(I) complex with intramolecular π-π stacking interaction for efficient solid-state luminescence enhancement.
• Authors of publication: Poirot, Alexandre; Vanucci-Bacqué, Corinne; Delavaux-Nicot, Béatrice; Meslien, Clarisse; Saffon-Merceron, Nathalie; Serpentini, Charles-Louis; Bedos-Belval, Florence; Benoist, Eric; Fery-Forgues, Suzanne
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 17
• Pages of publication: 5453 - 5465
• a: 9.5185 ± 0.0005 Å
• b: 7.0893 ± 0.0004 Å
• c: 11.7987 ± 0.0006 Å
• α: 90°
• β: 98.989 ± 0.002°
• γ: 90°
• Cell volume: 786.39 ± 0.07 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No