Information card for entry 7010161

Structure parameters

• Formula: C14 H32 Fe N5 S3
• Calculated formula: C14 H32 Fe N5 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: 15.905 ± 0.002 Å
• b: 14.2539 ± 0.0015 Å
• c: 18.458 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4184.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections: 0.1275
• Weighted residual factors for significantly intense reflections: 0.107
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.143
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No