Information card for entry 7018018

Structure parameters

• Formula: C42 H72 N4 Ni O16 P2 S4
• Calculated formula: C42 H72 N4 Ni O16 P2 S4
• Title of publication: Complexation properties of the crown ether-containing N-thiophosphorylated thiourea towards Ni(II).
• Authors of publication: Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Garcia, Yann
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 5
• Pages of publication: 1451 - 1453
• a: 23.4963 ± 0.0006 Å
• b: 8.2208 ± 0.0003 Å
• c: 29.2604 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5651.9 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No