Information card for entry 7031815

Structure parameters

• Formula: C30 H33 Cl2 N O P2 S Zn
• Calculated formula: C30 H33 Cl2 N O P2 S Zn
• SMILES: [Zn]1(Cl)(Cl)[S]=P(c2c(P(=[O]1)(N(C(C)C)C(C)C)c1ccccc1)cccc2)(c1ccccc1)c1ccccc1
• Title of publication: Synthetic, structural, NMR and catalytic studies of phosphinic amide-phosphoryl chalcogenides (chalcogen = O, S, Se) as mixed-donor bidentate ligands in zinc chemistry.
• Authors of publication: Del Águila-Sánchez, Miguel A; Santos-Bastos, Neidemar M; Ramalho-Freitas, Maria C; García López, Jesús; Costa de Souza, Marcos; Camargos-Resende, Jackson A L; Casimiro, María; Alves-Romeiro, Gilberto; Iglesias, María José; López Ortiz, Fernando
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 37
• Pages of publication: 14079 - 14091
• a: 10.7119 ± 0.0003 Å
• b: 15.7322 ± 0.0007 Å
• c: 18.1799 ± 0.0007 Å
• α: 90°
• β: 93.429 ± 0.003°
• γ: 90°
• Cell volume: 3058.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0402
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No