Information card for entry 7052183

Structure parameters

• Common name: Bis(n-tert-butyl-N'(diisopropoxyphosphoryl)-thiocaramido- N',S)nickel(ii)
• Chemical name: Bis[n-tert-butyl-N'(diisopropoxyphosphoryl)- thiocaramido-N',S]nickel(II)
• Formula: C22 H48 N4 Ni O6 P2 S2
• Calculated formula: C22 H48 N4 Ni O6 P2 S2
• Title of publication: The influence of the intramolecular hydrogen bond on the 1,3-N,S- and 1,5-O,S-coordination of N-phosphoryl-N′-(R)-thioureas with Ni(ii) and Pd(ii)
• Authors of publication: Sokolov, Felix D.; Baranov, Sergey V.; Safin, Damir A.; Hahn, F. Ekkehardt; Kubiak, Maria; Pape, Tania; Babashkina, Maria G.; Zabirov, Nail G.; Galezowska, Joanna; Kozlowski, Henryk; Cherkasov, Rafael A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 1661
• a: 9.273 ± 0.002 Å
• b: 9.672 ± 0.002 Å
• c: 21.274 ± 0.004 Å
• α: 97.75 ± 0.03°
• β: 91.62 ± 0.03°
• γ: 117.78 ± 0.03°
• Cell volume: 1663.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No