Information card for entry 7702382

Structure parameters

• Formula: C23 H57 Cl2 Co2 N9 O9 S2
• Calculated formula: C23 H57 Cl2 Co2 N9 O9 S2
• 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: 15.41 ± 0.002 Å
• b: 15.148 ± 0.001 Å
• c: 17.324 ± 0.001 Å
• α: 90°
• β: 110.72 ± 0.01°
• γ: 90°
• Cell volume: 3782.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections: 0.1774
• Weighted residual factors for significantly intense reflections: 0.1296
• Goodness-of-fit parameter for all reflections: 1.224
• Goodness-of-fit parameter for significantly intense reflections: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No