Information card for entry 4085631

Structure parameters

• Formula: C50 H50 Cl4 N5 O2 Os P
• Calculated formula: C50 H50 Cl4 N5 O2 Os P
• SMILES: [Os]123([P](c4c(C3=O)cccc4)(c3ccccc3)c3ccccc3)(N3C(=Nc4[n]1ccc(c4)C(C)(C)C)c1c(C3=Nc3[n]2ccc(c3)C(C)(C)C)cc(c(c1)C)C)C#[O].ClCCl.ClCCl
• Title of publication: Bis(pyridylimino)isoindolato (BPI) Osmium Complexes: Structural Chemistry and Reactivity
• Authors of publication: Müller, Astrid L.; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 2810
• a: 10.4672 ± 0.00008 Å
• b: 21.53543 ± 0.00015 Å
• c: 21.50542 ± 0.00018 Å
• α: 90°
• β: 101.535 ± 0.0008°
• γ: 90°
• Cell volume: 4749.74 ± 0.06 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 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: 0.038
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.232
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No