Information card for entry 1549679

Structure parameters

• Formula: C12 H24 Cl N6 Ni O4 S2
• Calculated formula: C12 H24 Cl N6 Ni O4 S2
• Title of publication: Slow magnetic relaxation in octahedral low-spin Ni(iii) complexes.
• Authors of publication: Bhowmick, Indrani; Roehl, Andrew J.; Neilson, James R.; Rappé, Anthony K; Shores, Matthew P.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 31
• Pages of publication: 6564 - 6571
• a: 7.59 ± 0.06 Å
• b: 8.72 ± 0.07 Å
• c: 15.75 ± 0.12 Å
• α: 83.72 ± 0.09°
• β: 81.37 ± 0.09°
• γ: 80.39 ± 0.11°
• Cell volume: 1012 ± 14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0983
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No