Information card for entry 4339164

Structure parameters

• Formula: C26.5 H42 Cl N4 O2.5 Os S2
• Calculated formula: C26.5 H42 Cl N4 O2.5 Os S2
• SMILES: [Os]1([S](=O)(C)C)([S](=O)(C)C)([n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C)(C#N)C#N.ClCCl.CCOCC
• Title of publication: cis-Dicyanoosmium(II) diimine complexes bearing phosphine or sulfoxide ligands: spectroscopic and luminescent studies.
• Authors of publication: Lai, Siu-Wai; Chan, Queenie K.-W.; Zhu, Nianyong; Che, Chi-Ming
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 11003 - 11016
• a: 19.018 ± 0.004 Å
• b: 22.018 ± 0.004 Å
• c: 18.594 ± 0.004 Å
• α: 90°
• β: 109.34 ± 0.03°
• γ: 90°
• Cell volume: 7347 ± 3 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 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: 0.0975
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 0.828
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No