Information card for entry 1551626

Structure parameters

• Formula: C60 H70 B2 N6 Ni O6
• Calculated formula: C60 H70 B2 N6 Ni O6
• Title of publication: <i>Pseudo</i>-<i>S</i>₆ Complex Cations of a Hexakis-<i>N</i>-methylformamide Nickel(II) Complex
• Authors of publication: SAKIYAMA, Hiroshi; MITSUHASHI, Ryoji; MIKURIYA, Masahiro
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2015
• Journal volume: 31
• Journal issue: 0
• Pages of publication: 45
• a: 10.68 ± 0.002 Å
• b: 13.271 ± 0.003 Å
• c: 19.96 ± 0.004 Å
• α: 86.043 ± 0.006°
• β: 84.483 ± 0.006°
• γ: 87.335 ± 0.007°
• Cell volume: 2806.9 ± 1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0702
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No