Information card for entry 7133667

Structure parameters

• Formula: C44 H30 Cl6 N2 Ni S2
• Calculated formula: C44 H30 Cl6 N2 Ni S2
• Title of publication: Direct observation of arene⋯sulphur dioxide interaction: role of metal ions in electronic modulation for binding and activation.
• Authors of publication: Singh, Sandhya; Dinesh, Shruthi; Yadav, Archana; Raje, Sakthi; Butcher, Ray J.; Sundararajan, Mahesh; Angamuthu, Raja
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 79
• Pages of publication: 11104 - 11107
• a: 22.54 ± 0.005 Å
• b: 7.2448 ± 0.0014 Å
• c: 24.023 ± 0.005 Å
• α: 90°
• β: 95.29 ± 0.03°
• γ: 90°
• Cell volume: 3906.2 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0791
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No