Information card for entry 4346522

Structure parameters

• Common name: 1_VL
• Formula: C39 H60 N4 P3 V
• Calculated formula: C39 H60 N4 P3 V
• SMILES: [V]1234[P](CN1c1c([N]2(c2ccccc2N3CP(C(C)C)C(C)C)c2c(N4CP(C(C)C)C(C)C)cccc2)cccc1)(C(C)C)C(C)C
• 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: 11.442 ± 0.0002 Å
• b: 19.773 ± 0.0004 Å
• c: 17.4838 ± 0.0004 Å
• α: 90°
• β: 94.476 ± 0.001°
• γ: 90°
• Cell volume: 3943.52 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0325
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No