Information card for entry 7702388

Structure parameters

• Formula: C24 H54 Cl2 N10 Ni2 O8 S2
• Calculated formula: C24 H54 Cl2 N10 Ni2 O8 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: 8.593 ± 0.001 Å
• b: 12.705 ± 0.002 Å
• c: 18.122 ± 0.002 Å
• α: 90°
• β: 99.26 ± 0.01°
• γ: 90°
• Cell volume: 1952.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections: 0.1264
• Weighted residual factors for significantly intense reflections: 0.1078
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No