Information card for entry 7054770

Structure parameters

• Formula: C29 H21 N3 O2
• Calculated formula: C29 H21 N3 O2
• SMILES: C(=O)c1ccccc1OCc1ccc(cc1)c1cc(c2ccccn2)nc(c1)c1ccccn1
• Title of publication: A new heterometallic terbium(iii)–ruthenium(ii) complex and its terbium(iii)–zinc(ii) analog: syntheses, characterization, luminescence, and electrochemical properties
• Authors of publication: Maria Xavier, A. John; Samy, N. Arockia; Paul, M. Wilson Bosco; Brainard, B.; Letticia, M.; Alexander, V.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 6
• Pages of publication: 4284
• a: 7.074 ± 0.002 Å
• b: 9.8727 ± 0.0004 Å
• c: 17.1493 ± 0.0008 Å
• α: 81.198 ± 0.002°
• β: 89.999 ± 0.008°
• γ: 69.007 ± 0.018°
• Cell volume: 1103.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No