Information card for entry 2104550

Structure parameters

• Chemical name: bis(1-n-Butyl-1,4-diazabicyclo(2.2.2)octan-1-ium)bis(2-thioxo-1,3-dithiole- 4,5-dithiolato)-nickel(ii)
• Formula: C26 H42 N4 Ni S10
• Calculated formula: C26 H42 N4 Ni S10
• SMILES: C1C[N+]2(CCN1CC2)CCCC.S1[Ni]2(SC3=C1SC(=S)S3)SC1=C(SC(=S)S1)S2.C1C[N+]2(CCN1CC2)CCCC
• Title of publication: Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
• Authors of publication: Marsh, Richard E.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: 782 - 783
• a: 8.504 ± 0.0006 Å
• b: 10.0582 ± 0.0007 Å
• c: 11.3229 ± 0.0008 Å
• α: 90.242 ± 0.001°
• β: 110.246 ± 0.001°
• γ: 105.451 ± 0.001°
• Cell volume: 870.83 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No