Information card for entry 7226780

Structure parameters

• Common name: [Os(Cl)(CO)(bpy)(tpp)2]+.PF6-.0.5toluene
• Formula: C50.5 H42 Cl F6 N2 O Os P3
• Calculated formula: C50.5 H42 Cl F6 N2 O Os P2.8125
• Title of publication: Heteroleptic [Os(H)(CO)(N(∧)N)(tpp)2](+) and [Os(Cl)(CO)(N(∧)N)(tpp)2](+) complexes - comparative studies of their luminescence properties.
• Authors of publication: Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 41
• Pages of publication: 28982 - 28996
• a: 28.557 ± 0.002 Å
• b: 28.557 ± 0.002 Å
• c: 11.9682 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9760.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No