Information card for entry 4069175

Structure parameters

• Formula: C67 H56 Cl4 Co2 N10 O8 S8
• Calculated formula: C67 H56 Cl4 Co2 N10 O8 S8
• SMILES: [Co]12(Cl)([n]3ccccc3)([N](O)=C(C(Sc3ccccc3)=N1=O)Sc1ccccc1)[N](O)=C(C(Sc1ccccc1)=N2=O)Sc1ccccc1.ClCCl
• Title of publication: Cobaloximes with Bis(thiophenyl)glyoxime: Synthesis and Structure−Property Relationship Study
• Authors of publication: Dutta, Gargi; Kumar, Kamlesh; Gupta, B. D.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 3485
• a: 11.074 ± 0.005 Å
• b: 12.615 ± 0.005 Å
• c: 25.496 ± 0.005 Å
• α: 99.706 ± 0.005°
• β: 99.115 ± 0.005°
• γ: 90.263 ± 0.005°
• Cell volume: 3465 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1033
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1944
• Weighted residual factors for all reflections included in the refinement: 0.2278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No