Information card for entry 2231812

Structure parameters

• Chemical name: Bis(1,4,7-trithiacyclononane)nickel(II) bis(tetrafluoridoborate) nitromethane disolvate
• Formula: C14 H30 B2 F8 N2 Ni O4 S6
• Calculated formula: C14 H30 B2 F8 N2 Ni O4 S6
• Title of publication: Bis(1,4,7-trithiacyclononane)nickel(II) bis(tetrafluoridoborate) nitromethane disolvate
• Authors of publication: Lee, John P.; Grant, Gregory J.; Noll, Bruce C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1417 - m1418
• a: 9.1755 ± 0.0018 Å
• b: 19.825 ± 0.004 Å
• c: 15.173 ± 0.003 Å
• α: 90°
• β: 90.88 ± 0.03°
• γ: 90°
• Cell volume: 2759.7 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes