Information card for entry 1565751

Structure parameters

• Formula: C13 H11 N3 O
• Calculated formula: C13 H11 N3 O
• SMILES: O=C(N/N=C/c1ccccc1)c1ncccc1
• Title of publication: Dinuclear lanthanoid(III) dithiocarbamato complexes bridged by (E)-N-benzylidenepicolinohydrazonate: Syntheses, crystal structures and spectroscopic properties
• Authors of publication: Yakubu, Abdallah; Suzuki, Takayoshi; Kita, Masakazu
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2019
• Journal volume: 498
• Pages of publication: 119124
• a: 12.087 ± 0.0008 Å
• b: 7.5053 ± 0.0006 Å
• c: 25.0504 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2272.5 ± 0.3 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1152
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No