Information card for entry 2201443

Structure parameters

• Chemical name: Tris(propane-1,3-diamine)nickel(II) tetrafluoroborate.
• Formula: C9 H30 B2 F8 N6 Ni
• Calculated formula: C9 H30 B2 F8 N6 Ni
• Title of publication: Tris(propane-1,3-diamine)nickel(II) bis(tetrafluoroborate)
• Authors of publication: Roger D. Willett; Firas F. Awwadi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: m471 - m472
• a: 15.2751 ± 0.0014 Å
• b: 15.498 ± 0.002 Å
• c: 16.835 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3985.4 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1529
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes