Information card for entry 7133287

Structure parameters

• Formula: C30 H22 Co N12 O6 S4
• Calculated formula: C30 H22 Co N12 O6 S4
• Title of publication: <i>N</i>-Alkylation of amines with primary/secondary alcohols using a novel cobalt(II) inverse triazolyl-pyridine complex.
• Authors of publication: Shekhawat, Bhawana; Gahlaut, Puneet Singh; Gautam, Deepak; Jana, Barun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 65
• Pages of publication: 8581 - 8584
• a: 7.7485 ± 0.0004 Å
• b: 10.1105 ± 0.0005 Å
• c: 12.1657 ± 0.0006 Å
• α: 103.064 ± 0.001°
• β: 92.24 ± 0.001°
• γ: 112.226 ± 0.001°
• Cell volume: 851.18 ± 0.07 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: 0.039
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No