Information card for entry 7125397

Structure parameters

• Formula: C13 H15 N9 Ni O4 S2
• Calculated formula: C13 H15 N9 Ni O4 S2
• Title of publication: Deciphering the influence of structural distortions on the uniaxial magnetic anisotropy of pentagonal bipyramidal Ni(ii) complexes.
• Authors of publication: Dey, Mamon; Mudoi, Prashurya Pritam; Choudhury, Anup; Sarma, Bipul; Gogoi, Nayanmoni
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• Journal volume: 55
• Journal issue: 77
• Pages of publication: 11547 - 11550
• a: 8.758 ± 0.004 Å
• b: 11.248 ± 0.005 Å
• c: 12.524 ± 0.006 Å
• α: 65.786 ± 0.006°
• β: 84.967 ± 0.007°
• γ: 71.813 ± 0.006°
• Cell volume: 1067.8 ± 0.9 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: 0.088
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No