Information card for entry 7019539

Structure parameters

• Formula: C50 H49 N6 O8.5 S2 Zn
• Calculated formula: C50 H48 N6 O8.5 S2 Zn
• Title of publication: Structural variety of zinc and copper complexes based on a 2,3-disubstituted 1,2,3,4-tetrahydroquinazoline ligand.
• Authors of publication: Sanmartín-Matalobos, Jesús; Portela-García, Cristina; Martínez-Rodríguez, Luis; González-Bello, Concepción; Lence, Emilio; García-Deibe, Ana M; Fondo, Matilde
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 23
• Pages of publication: 6998 - 7004
• a: 26.385 ± 0.004 Å
• b: 10.0122 ± 0.0013 Å
• c: 17.57 ± 0.002 Å
• α: 90°
• β: 94.269 ± 0.002°
• γ: 90°
• Cell volume: 4628.6 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No