Information card for entry 7046448

Structure parameters

• Chemical name: 4-(p-Bromophenyl)-8-nitrochinolin
• Formula: C15 H9 Br N2 O2
• Calculated formula: C15 H9 Br N2 O2
• Title of publication: Amido Ca(ii) complexes supported by Schiff base ligands for catalytic cross-dehydrogenative coupling of amines with silanes.
• Authors of publication: Forosenko, Natalia V.; Basalov, Ivan V.; Cherkasov, Anton V.; Fukin, Georgy K.; Shubina, Elena S.; Trifonov, Alexander A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 36
• Pages of publication: 12570 - 12581
• a: 7.5786 ± 0.0002 Å
• b: 7.6027 ± 0.0002 Å
• c: 11.5003 ± 0.0003 Å
• α: 95.922 ± 0.002°
• β: 97.598 ± 0.002°
• γ: 104.249 ± 0.002°
• Cell volume: 630.21 ± 0.03 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No