Information card for entry 7702436

Structure parameters

• Formula: C32 H40 F6 N4 Ni2 O7 S4
• Calculated formula: C32 H40 F6 N4 Ni2 O7 S4
• Title of publication: Conversion of some substituted phenols to the corresponding masked thiophenols, synthesis of a dinickel(II) dithiolate macrocyclic complex and isolation of some metal- and ligand-based oxidation products
• Authors of publication: Brooker, Sally; Caygill, Graham B.; Croucher, Paul D.; Davidson, Tony C.; Clive, Derrick L. J.; Magnuson, Stephen R.; Cramer, Stephen P.; Ralston, Corie Y.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 18
• Pages of publication: 3113
• a: 25.0993 ± 0.0016 Å
• b: 10.9758 ± 0.0007 Å
• c: 17.1135 ± 0.0011 Å
• α: 90°
• β: 122.574 ± 0.001°
• γ: 90°
• Cell volume: 3972.9 ± 0.4 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No