Information card for entry 7055917

Structure parameters

• Formula: C112.5 H117 B2 Cl Ni2 O4 P6 S4
• Calculated formula: C112.5 H117 B2 Cl Ni2 O4 P6 S4
• Title of publication: 1,2-Bis(diphenylphosphino)ethane nickel(ii) O,O′-dialkyldithiophosphates as potential precursors for nickel sulfides
• Authors of publication: Yadav, Reena; Singh, Ashish Kumar; Waghadkar, Yogesh; Kociok-Köhn, Gabriele; Kumar, Abhinav; Chauhan, Ratna; Rane, Sunit; Gosavi, Suresh
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 3
• Pages of publication: 1327
• a: 11.974 ± 0.0002 Å
• b: 14.1021 ± 0.0002 Å
• c: 17.2015 ± 0.0004 Å
• α: 102.505 ± 0.0007°
• β: 101.119 ± 0.0007°
• γ: 106.199 ± 0.0007°
• Cell volume: 2621.9 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No