Information card for entry 7035809

Structure parameters

• Formula: C40 H54 O12
• Calculated formula: C40 H50 O12
• SMILES: c1(cc(c2cc1[C@H](CC)c1cc([C@@H](c3c(cc(c(c3)[C@H](CC)c3c(O)cc(O)c([C@@H]2CC)c3)O)O)CC)c(O)cc1O)O)O.OC.O.O=C(C)C.O
• Title of publication: Synthesis, luminescence, and electrochemical studies of a new series of octanuclear ruthenium(ii) complexes of tolylterpyridine appended calixresorcarenes.
• Authors of publication: Senthan, Selvam Amudhan; Alexander, Vedamanickam
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 33
• Pages of publication: 14813 - 14822
• a: 13.5771 ± 0.0004 Å
• b: 7.9566 ± 0.0003 Å
• c: 18.3912 ± 0.0006 Å
• α: 90°
• β: 103.146 ± 0.002°
• γ: 90°
• Cell volume: 1934.69 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No