Information card for entry 1514803

Structure parameters

• Formula: C48 H57 Fe I N3 O0.75 P3 V
• Calculated formula: C48 H57 Fe I N3 O0.75 P3 V
• Title of publication: Vanadium‒iron complexes featuring metal‒metal multiple bonds
• Authors of publication: Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 9
• Pages of publication: 3557
• a: 10.7003 ± 0.0003 Å
• b: 22.3479 ± 0.0005 Å
• c: 22.519 ± 0.0005 Å
• α: 62.001 ± 0.001°
• β: 81.313 ± 0.001°
• γ: 88.637 ± 0.001°
• Cell volume: 4693.3 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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 all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No