Information card for entry 7035810

Structure parameters

• Formula: C76 H96 N8 O16
• Calculated formula: C76 H96 N8 O16
• SMILES: c1ccccc1C1c2cc(c(O)cc2O)C(c2ccccc2)c2c(O)cc(O)c(c2)C(c2ccccc2)c2cc(c(O)cc2O)C(c2ccccc2)c2c(O)cc(O)c1c2.N(C)(C)C=O.N(C)(C)C=O.N(C)(C=O)C.N(C)(C)C=O.N(C)(C)C=O.N(C)(C)C=O.N(C)(C=O)C.N(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: 11.971 ± 0.0008 Å
• b: 12.7057 ± 0.0009 Å
• c: 13.857 ± 0.0009 Å
• α: 94.731 ± 0.002°
• β: 108.558 ± 0.002°
• γ: 106.657 ± 0.002°
• Cell volume: 1878.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No