Information card for entry 7702386

Structure parameters

• Formula: C20 H52 Co2 N8 S4
• Calculated formula: C20 H52 Co2 N8 S4
• Title of publication: Preparation of the first sulfur-containing cobalt and nickel complexes stabilised by the macrocyclic cyclam ligand; observation of S‒H bond activation
• Authors of publication: Pleus, Rainer J.; Waden, Harald; Saak, Wolfgang; Haase, Detlev; Pohl, Siegfried
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 15
• Pages of publication: 2601
• a: 12.482 ± 0.006 Å
• b: 14.699 ± 0.007 Å
• c: 16.045 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2944 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.086
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections: 0.1403
• Weighted residual factors for significantly intense reflections: 0.1114
• Goodness-of-fit parameter for all reflections: 1.262
• Goodness-of-fit parameter for significantly intense reflections: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No