Information card for entry 4089164

Structure parameters

• Formula: C38 H41 N4 O Os P
• Calculated formula: C38 H41 N4 O Os P
• SMILES: [Os]123([P](C(C)C)(C(C)C)C(C)C)(c4ccccc4N4C=1N(c1c4cccc1)CCN1C=2N(c2c1cccc2)c1ccccc31)C#[O]
• 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: 13.485 ± 0.002 Å
• b: 15.011 ± 0.003 Å
• c: 16.212 ± 0.003 Å
• α: 90°
• β: 100.785 ± 0.002°
• γ: 90°
• Cell volume: 3223.7 ± 1 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No