Information card for entry 1564741

Structure parameters

• Formula: C31 H23 N O3
• Calculated formula: C31 H23 N O3
• SMILES: c1(ccc(cc1)C#Cc1ccc(c(c1)/C=N/c1ccc(cc1)C#Cc1ccc(cc1)OC)O)OC
• Title of publication: Ru(III)-pseudohalide complexes with alkynyl functionalized salicylaldimine ligand and heterocyclic coligand: Synthesis, characterization, electrochemical and luminescence properties
• Authors of publication: Mohite, S.S.; Patil-Deshmukh, A.B.; Chavan, S.S.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 507
• Pages of publication: 119586
• a: 26.489 ± 0.003 Å
• b: 7.2195 ± 0.0007 Å
• c: 6.2098 ± 0.0006 Å
• α: 90°
• β: 93.279 ± 0.005°
• γ: 90°
• Cell volume: 1185.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.122
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1781
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No