Information card for entry 7039547

Structure parameters

• Formula: C27 H31 Cl F6 N3 P Ru Se
• Calculated formula: C27 H31 Cl F6 N3 P Ru Se
• SMILES: [Ru]123456([Se](Cc7[n]1nn(c1c(cccc1C(C)C)C(C)C)c7)c1ccccc1)(Cl)[cH]1[cH]6[cH]2[cH]5[cH]3[cH]41.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: 'Click' generated 1,2,3-triazole based organosulfur/selenium ligands and their Pd(ii) and Ru(ii) complexes: their synthesis, structure and catalytic applications.
• Authors of publication: Kumar, Satyendra; Saleem, Fariha; Singh, Ajai K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 28
• Pages of publication: 11445 - 11458
• a: 9.7255 ± 0.0007 Å
• b: 19.3313 ± 0.0013 Å
• c: 16.6941 ± 0.0011 Å
• α: 90°
• β: 100.364 ± 0.001°
• γ: 90°
• Cell volume: 3087.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• 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: 0.0546
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No