Information card for entry 4069177

Structure parameters

• Formula: C37 H36 Co N5 O4 S4
• Calculated formula: C37 H36 Co N5 O4 S4
• SMILES: [Co]12(N(=O)=C(C(Sc3ccccc3)=[N]1O)Sc1ccccc1)([N](O)=C(C(Sc1ccccc1)=N2=O)Sc1ccccc1)([n]1ccccc1)CCCC
• 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: 25.458 ± 0.005 Å
• b: 10.961 ± 0.005 Å
• c: 14.499 ± 0.005 Å
• α: 90 ± 0.005°
• β: 118.331 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3561 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.1967
• Weighted residual factors for all reflections included in the refinement: 0.2295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No