Information card for entry 7223008

Structure parameters

• Formula: C20 H19 Br4 Cl Fe N3 O3
• Calculated formula: C20 H19 Br4 Cl Fe N3 O3
• Title of publication: Development of an efficient magnetically separable nanocatalyst: Theoretical approach on the role of ligand backbone on epoxidation capability
• Authors of publication: Chattopadhyay, Tanmay; Adhikary, Jaydeep; Datta, Arnab; Dasgupta, Sanchari; Chakraborty, Aratrika; Menendez-Rodriguez, M. Isabel
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 13.314 ± 0.006 Å
• b: 14.72 ± 0.006 Å
• c: 13.228 ± 0.006 Å
• α: 90°
• β: 101.192 ± 0.006°
• γ: 90°
• Cell volume: 2543.1 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0964
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No