Information card for entry 7702385

Structure parameters

• Formula: C30 H76 Cl2 N12 Ni3 O8 S4
• Calculated formula: C30 H76 Cl2 N12 Ni3 O8 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: 13.941 ± 0.002 Å
• b: 20.212 ± 0.002 Å
• c: 9.263 ± 0.001 Å
• α: 90°
• β: 109.87 ± 0.01°
• γ: 90°
• Cell volume: 2454.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections: 0.109
• Weighted residual factors for significantly intense reflections: 0.0958
• Goodness-of-fit parameter for all reflections: 1.103
• Goodness-of-fit parameter for significantly intense reflections: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No