Information card for entry 7214892

Structure parameters

• Formula: C38 H30 Br2 La N11 O11 S2
• Calculated formula: C38 H30 Br2 La N11 O11 S2
• SMILES: c1ccc2c3c(c4c5[n]([La]6789([n]1c25)(ON(=[O]7)=O)(ON(=O)=[O]9)([n]1cccc2c5c(c7ccc[n]6c7c12)nc([nH]5)c1sc(Br)cc1)ON(=[O]8)=O)ccc4)nc([nH]3)c1sc(Br)cc1.C(O)C.OCC
• 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: 25.896 ± 0.005 Å
• b: 9.8455 ± 0.0019 Å
• c: 18.182 ± 0.003 Å
• α: 90°
• β: 110.564 ± 0.002°
• γ: 90°
• Cell volume: 4340.3 ± 1.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No