Information card for entry 7240908

Structure parameters

• Formula: C16 H18 Cl4 N4 Zn
• Calculated formula: C16 H18 Cl4 N4 Zn
• SMILES: c1n(C)c[n+]2ccccc12.c1n(C)c[n+]2ccccc12.[Zn](Cl)(Cl)([Cl-])[Cl-]
• Title of publication: Synthetic strategy towards halometallates with imidazo[1,5-a]pyridinium-based counterions
• Authors of publication: Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Linnik, Rostyslav P.; Nesterov, Dmytro S.; Trachevsky, Vladimir V.; Skelton, Brian W.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 9.3908 ± 0.0003 Å
• b: 10.6494 ± 0.0004 Å
• c: 10.7328 ± 0.0003 Å
• α: 99.224 ± 0.003°
• β: 111.029 ± 0.003°
• γ: 91.986 ± 0.003°
• Cell volume: 983.95 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No