Information card for entry 4338454

Structure parameters

• Formula: C71 H88 Fe3 N O3 P S5 V
• Calculated formula: C71 H88 Fe3 N O3 P S5 V
• Title of publication: Synthesis of V/Fe/S Clusters Using Vanadium(III) Thiolate Complexes Bearing a Phenoxide-Based Tridentate Ligand.
• Authors of publication: Taniyama, Nobuhiro; Ohki, Yasuhiro; Tatsumi, Kazuyuki
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 5438 - 5446
• a: 14.5 ± 0.03 Å
• b: 16.41 ± 0.03 Å
• c: 17.69 ± 0.03 Å
• α: 102.8 ± 0.02°
• β: 93.233 ± 0.009°
• γ: 114.945 ± 0.015°
• Cell volume: 3668 ± 12 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.4614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No