Information card for entry 4313902

Structure parameters

• Common name: none
• Chemical name: (hydrogen tris(pyrazolyl)borato-N,N',N'')- (tetrakis(mu3-sulfido))-tris(tributylphosphine- iron-S,S',S'')-vanadium hexafluorophosphate
• Formula: C45 H91 B F6 Fe3 N6 P4 S4 V
• Calculated formula: C45 H76 B F6 Fe3 N6 P4 S4 V
• Title of publication: Vanadium-Iron-Sulfur Clusters Containing the Cubane-type [VFe3S4] Core Unit: Synthesis of a Cluster with the Topology of the PN Cluster of Nitrogenase
• Authors of publication: Jing-Lin Zuo; Hong-Cai Zhou; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4624 - 4631
• a: 15.897 ± 0.015 Å
• b: 24.33 ± 0.02 Å
• c: 16.75 ± 0.016 Å
• α: 90°
• β: 98.388 ± 0.013°
• γ: 90°
• Cell volume: 6409 ± 10 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No