Information card for entry 4346524

Structure parameters

• Common name: 2ox_[FeVL][BPh4]
• Formula: C67 H88 B Fe N4 O P3 V
• Calculated formula: C67 H88 B Fe N4 O P3 V
• Title of publication: Heterobimetallic Complexes That Bond Vanadium to Iron, Cobalt, and Nickel.
• Authors of publication: Clouston, Laura J.; Bernales, Varinia; Cammarota, Ryan C.; Carlson, Rebecca K.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 24
• Pages of publication: 11669 - 11679
• a: 17.3253 ± 0.0004 Å
• b: 14.367 ± 0.0004 Å
• c: 26.5458 ± 0.0006 Å
• α: 90°
• β: 101.115 ± 0.001°
• γ: 90°
• Cell volume: 6483.6 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No