Information card for entry 7214886

Structure parameters

• Formula: C17 H14 Br Cl N4 O6 S
• Calculated formula: C17 H14 Br Cl N4 O6 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: 9.325 ± 0.008 Å
• b: 10.985 ± 0.009 Å
• c: 11.008 ± 0.009 Å
• α: 99.61 ± 0.011°
• β: 105.84 ± 0.01°
• γ: 109.486 ± 0.012°
• Cell volume: 980.4 ± 1.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.124
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.2234
• Weighted residual factors for all reflections included in the refinement: 0.2969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No