Information card for entry 7020179

Structure parameters

• Formula: C56 H64 Cl N4 O6 Os
• Calculated formula: C56 H64 Cl N4 O6 Os
• SMILES: [Os]123(Oc4c(cc(cc4N1c1ccccc1)C(C)(C)C)C(C)(C)C)(Oc1c(cc(cc1N2c1ccccc1)C(C)(C)C)C(C)(C)C)[n]1ccccc1c1[n]3cccc1.c1ccccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: The intricate paramagnetic state of [Os(Q)2(bpy)]+, Q = 4,6-di-tert-butyl-o-iminobenzoquinone.
• Authors of publication: Das, Dipanwita; Scherer, Thomas Michael; Das, Amit; Mondal, Tapan Kumar; Mobin, Shaikh M.; Fiedler, Jan; Priego, José Luis; Jiménez-Aparicio, Reyes; Kaim, Wolfgang; Lahiri, Goutam Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 38
• Pages of publication: 11675 - 11683
• a: 10.5375 ± 0.0003 Å
• b: 15.2833 ± 0.0004 Å
• c: 16.278 ± 0.0006 Å
• α: 94.563 ± 0.003°
• β: 94.546 ± 0.003°
• γ: 94.813 ± 0.002°
• Cell volume: 2594.25 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No