Information card for entry 7702383

Structure parameters

• Formula: C11 H29 Cl Co N4 O5 S
• Calculated formula: C11 H29 Cl Co N4 O5 S
• 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: 9.4965 ± 0.0011 Å
• b: 10.995 ± 0.001 Å
• c: 9.9785 ± 0.0015 Å
• α: 90°
• β: 111.222 ± 0.017°
• γ: 90°
• Cell volume: 971.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections: 0.1606
• Weighted residual factors for significantly intense reflections: 0.1239
• Goodness-of-fit parameter for all reflections: 1.24
• Goodness-of-fit parameter for significantly intense reflections: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No