Information card for entry 7214885

Structure parameters

• Formula: C18 H15 F6 N4 O P S
• Calculated formula: C18 H15 F6 N4 O P S
• Title of publication: Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline
• Authors of publication: Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 8023
• a: 6.919 ± 0.003 Å
• b: 21.908 ± 0.01 Å
• c: 14.415 ± 0.005 Å
• α: 90°
• β: 112.974 ± 0.017°
• γ: 90°
• Cell volume: 2011.7 ± 1.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• 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: 0.1414
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.2124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No