Information card for entry 4089167

Structure parameters

• Formula: C50.5 H43.5 Cl F3 N4.5 O3 Os P2 S
• Calculated formula: C50.5 H43.5 Cl F3 N4.5 O3 Os P2 S
• Title of publication: Osmium(II) Complexes Containing a Dianionic CCCC-Donor Tetradentate Ligand
• Authors of publication: Alabau, Roberto G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Palacios, Adrián U.; Tsai, Jui-Yi; Xia, Chuanjun
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 23
• Pages of publication: 3981
• a: 13.5713 ± 0.0014 Å
• b: 19.295 ± 0.002 Å
• c: 18.4609 ± 0.0019 Å
• α: 90°
• β: 108.697 ± 0.001°
• γ: 90°
• Cell volume: 4579 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.0613
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No