Information card for entry 4346526

Structure parameters

• Common name: 3ox_[CoVL][BPh4]
• Formula: C71 H96 B Co N4 O2 P3 V
• Calculated formula: C71 H96 B Co N4 O2 P3 V
• SMILES: [Co]123[V]456N(c7c([N]6(c6ccccc6N4C[P]2(C(C)C)C(C)C)c2ccccc2N5C[P]3(C(C)C)C(C)C)cccc7)C[P]1(C(C)C)C(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1.O1CCCC1
• 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: 17.3813 ± 0.0005 Å
• b: 14.3313 ± 0.0004 Å
• c: 26.5204 ± 0.0007 Å
• α: 90°
• β: 100.631 ± 0.0015°
• γ: 90°
• Cell volume: 6492.8 ± 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: 0.1138
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.2077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No