Information card for entry 4338453

Structure parameters

• Formula: C68.5 H75 N O3 P S V
• Calculated formula: C68.5 H75 N O3 P S 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: 17.059 ± 0.003 Å
• b: 17.444 ± 0.003 Å
• c: 21.669 ± 0.004 Å
• α: 90°
• β: 94.454 ± 0.002°
• γ: 90°
• Cell volume: 6429 ± 2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.2645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No