Information card for entry 7122293

Structure parameters

• Chemical name: Acetato-(1-methyl-4-isopropyl-benzene)-(N-n-butyl-(4-biphenyl)(methylester)benzimidazol-κN,C)osmium(II)hemi-dichloromethane, hemi-toluene solvate
• Formula: C41 H45 Cl N2 O4 Os
• Calculated formula: C41 H45 Cl N2 O4 Os
• Title of publication: A new C,N-cyclometalated osmium(ii) arene anticancer scaffold with a handle for functionalization and antioxidative properties.
• Authors of publication: Ortega, Enrique; Yellol, Jyoti G.; Rothemund, Matthias; Ballester, Francisco J.; Rodríguez, Venancio; Yellol, Gorakh; Janiak, Christoph; Schobert, Rainer; Ruiz, José
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 79
• Pages of publication: 11120 - 11123
• a: 10.9559 ± 0.0006 Å
• b: 10.9932 ± 0.0006 Å
• c: 16.2594 ± 0.0009 Å
• α: 105.966 ± 0.002°
• β: 102.536 ± 0.002°
• γ: 103.578 ± 0.002°
• Cell volume: 1745.05 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0333
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No