Information card for entry 4131325

Structure parameters

• Formula: C53.5 H73 Fe N4 Nb P4
• Calculated formula: C53.5 H73 Fe N4 Nb P4
• Title of publication: Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb^III/Fe⁰ Bimetallic Complex Featuring a Nb≡Fe Triple Bond.
• Authors of publication: Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 28
• Pages of publication: 9627 - 9636
• a: 18.6191 ± 0.0009 Å
• b: 13.1806 ± 0.0006 Å
• c: 42.711 ± 0.002 Å
• α: 90°
• β: 90.867 ± 0.002°
• γ: 90°
• Cell volume: 10480.5 ± 0.9 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• 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: 0.0804
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections: 0.1086
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No