Information card for entry 7059552

Structure parameters

• Formula: C16 H23 Cl N2 O Se
• Calculated formula: C16 H23 Cl N2 O Se
• SMILES: [Se]=C(NC(=O)c1ccc(Cl)cc1)N(CCCC)CCCC
• Title of publication: Acylselenoureato bis(chelates) of lead: synthesis, structural characterization and microwave-assisted formation of PbSe nano- and microstructures
• Authors of publication: Klauke, Karsten; Schmitz, Alexa; Swertz, Ann-Christin; Beele, Björn B.; Giesen, Beatriz; Schlüsener, Carsten; Janiak, Christoph; Mohr, Fabian
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 19
• Pages of publication: 7719 - 7726
• a: 10.6871 ± 0.0005 Å
• b: 15.844 ± 0.0006 Å
• c: 10.4873 ± 0.0004 Å
• α: 90°
• β: 103.813 ± 0.004°
• γ: 90°
• Cell volume: 1724.42 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0405
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No