Information card for entry 8102232

Structure parameters

• Chemical name: bis(tetraphenylphosphonium) tetrakis(ethane-1,2-dithiolato)trinickelate(II) ethane-1,2-dithiole solvate
• Formula: C60 H68 Ni3 P2 S12
• Calculated formula: C60 H68 Ni3 P2 S12
• Title of publication: Crystal structure of bis(tetraphenylphosphonium) tetrakis(ethane-1,2-dithiolato)trinickelate(II) ethane-1,2-dithiole solvate, [(C6H5)4P]2[Ni3(SCH2CH2S)4)] · 2HSC2H4SH
• Authors of publication: Martin Köckerling; Gerald Henkel
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 1
• Pages of publication: 102
• a: 9.671 ± 0.003 Å
• b: 14.086 ± 0.004 Å
• c: 14.091 ± 0.004 Å
• α: 113.27 ± 0.02°
• β: 102.75 ± 0.02°
• γ: 104.52 ± 0.02°
• Cell volume: 1592.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No