Information card for entry 7010165

Structure parameters

• Formula: C15 H32 Co N3 S3
• Calculated formula: C15 H32 Co N3 S3
• Title of publication: Iron, cobalt and vanadium complexes of the N(CH2CH2S)33− ligand with chloride, azide, cyanide and carbonyl co-ligands
• Authors of publication: Davies, Sian C.; Durrant, Marcus C.; Hughes, David L.; Richards, Raymond L.; Sanders, J. Roger
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 4694
• a: 8.865 ± 0.0011 Å
• b: 14.1311 ± 0.0014 Å
• c: 15.757 ± 0.002 Å
• α: 90 ± 0.008°
• β: 90 ± 0.009°
• γ: 90 ± 0.009°
• Cell volume: 1973.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections: 0.1232
• Weighted residual factors for significantly intense reflections: 0.0945
• Goodness-of-fit parameter for all reflections: 0.972
• Goodness-of-fit parameter for significantly intense reflections: 1.066
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No