Information card for entry 7010160

Structure parameters

• Formula: C14 H32 Cl Fe N S3
• Calculated formula: C14 H32 Cl Fe N2 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: 8.7922 ± 0.0009 Å
• b: 14.3189 ± 0.0011 Å
• c: 15.9028 ± 0.0014 Å
• α: 90.002 ± 0.007°
• β: 89.993 ± 0.008°
• γ: 89.992 ± 0.008°
• Cell volume: 2002.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.054
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections: 0.1125
• Weighted residual factors for significantly intense reflections: 0.1008
• Goodness-of-fit parameter for all reflections: 1.066
• Goodness-of-fit parameter for significantly intense reflections: 1.115
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No