Information card for entry 4085628

Structure parameters

• Formula: C72 H78 F6 N7 O2 Os P3
• Calculated formula: C64 H62 F6 N7 Os P3
• SMILES: [Os]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(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)[N]#N.[P](F)(F)(F)(F)(F)[F-]
• 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: 11.2862 ± 0.0004 Å
• b: 13.6767 ± 0.0004 Å
• c: 21.7263 ± 0.0007 Å
• α: 80.26 ± 0.003°
• β: 87.686 ± 0.003°
• γ: 81.116 ± 0.003°
• Cell volume: 3265.28 ± 0.19 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No