Information card for entry 4074822

Structure parameters

• Common name: ClCo(gH)(dpgH)Py
• Chemical name: trans-(glyoximato)(diphenylglyoximato)-chloro-(pyridine)-cobalt(III)
• Formula: C21 H19 Cl Co N5 O4
• Calculated formula: C21 H19 Cl Co N5 O4
• SMILES: [Co]12(Cl)([N](O)=C(C(=[N]1O)c1ccccc1)c1ccccc1)(N(=O)=CC=N2=O)[n]1ccccc1
• Title of publication: Cobaloximes with Mixed Dioximes of Glyoxime and Diphenylglyoxime: Synthesis, Characterization, CV, X-ray Studies, and Crystal Packing
• Authors of publication: Gupta, B. D.; Yamuna, R.; Mandal, Debaprasad
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 706
• a: 10.6124 ± 0.0006 Å
• b: 10.6725 ± 0.001 Å
• c: 19.5201 ± 0.0004 Å
• α: 90°
• β: 98.8091 ± 0.0004°
• γ: 90°
• Cell volume: 2184.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No