Information card for entry 2010575

Structure parameters

• Chemical name: Pentane-2,4-dithione[bis(diphenylphosphino)ethane]nickel(II) hexafluorophosphate.
• Formula: C31 H31 F6 Ni P3 S2
• Calculated formula: C31 H31 F6 Ni P3 S2
• SMILES: [Ni]12(SC(=CC(=[S]2)C)C)[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: [Bis(diphenylphosphino)alkane](pentane-2,4-dithionato) complexes of nickel(II)
• Authors of publication: Boyd, Peter D. W.; Rickard, Clifton E. F.; Cavell, Kingsley J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 1
• Pages of publication: e16 - e18
• a: 11.0458 ± 0.0002 Å
• b: 13.485 ± 0.0002 Å
• c: 14.5828 ± 0.0001 Å
• α: 67.386 ± 0.001°
• β: 76.105 ± 0.001°
• γ: 72.088 ± 0.001°
• Cell volume: 1889.5 ± 0.05 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes