Information card for entry 7233411

Structure parameters

• Formula: C21 H22 Cl4 Co N5 O3 S
• Calculated formula: C21 H22 Cl4 Co N5 O3 S
• Title of publication: Relative stability of cis and trans isomers of octahedral cobalt(III) complexes of the type [Co(N2O2)X2] with tetradentate salen type Schiff bases: A combined theoretical and experimental study
• Authors of publication: Chattopadhyay, Shouvik; Ghosh, Kousik; Banerjee, Snehasis
• Journal of publication: CrystEngComm
• Year of publication: 2019
• a: 8.1482 ± 0.0007 Å
• b: 11.8292 ± 0.001 Å
• c: 13.9004 ± 0.0012 Å
• α: 79.258 ± 0.002°
• β: 78.938 ± 0.002°
• γ: 80.499 ± 0.002°
• Cell volume: 1280.21 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No