Information card for entry 1549677

Structure parameters

• Formula: C10 H26 Co0.9 N9 Ni0.1 O15
• Calculated formula: C10 H24 Co0.9 N9 Ni0.1 O15
• 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: 7.371 ± 0.005 Å
• b: 8.496 ± 0.004 Å
• c: 9.08 ± 0.005 Å
• α: 89.163 ± 0.003°
• β: 76.951 ± 0.005°
• γ: 81.894 ± 0.004°
• Cell volume: 548.3 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0408
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No