Information card for entry 7127861

Structure parameters

• Formula: C12 H9 Cl N4
• Calculated formula: C12 H9 Cl N4
• SMILES: Clc1nc(c2ccccc2)c2ncn(c2n1)C
• Title of publication: Purine-based Ir(iii) complexes for sensing viscosity of endo-plasmic reticulum with fluorescence lifetime imaging microscopy.
• Authors of publication: Liu, Xin; Li, Kun; Shi, Lei; Zhang, Hong; Liu, Yan-Hong; Wang, Hao-Yuan; Wang, Nan; Yu, Xiao-Qi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 18
• Pages of publication: 2265 - 2268
• a: 6.9944 ± 0.0005 Å
• b: 11.3189 ± 0.0005 Å
• c: 14.3507 ± 0.0007 Å
• α: 90°
• β: 98.083 ± 0.005°
• γ: 90°
• Cell volume: 1124.84 ± 0.11 ų
• Cell temperature: 297.5 ± 0.2 K
• Ambient diffraction temperature: 297.5 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1887
• Weighted residual factors for all reflections included in the refinement: 0.1996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No