Information card for entry 4338450

Structure parameters

• Formula: C45 H63 N O2 P S V
• Calculated formula: C45 H63 N O2 P S V
• SMILES: [V]12(Sc3c(cc(cc3C)C)C)([P](c3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)(c1ccccc1)c1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)[NH](C)C
• 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: 11.9681 ± 0.0013 Å
• b: 13.6395 ± 0.0015 Å
• c: 26.614 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4344.4 ± 0.8 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No