Information card for entry 4346527

Structure parameters

• Common name: 4_NiVL
• Formula: C45 H66 N4 Ni P3 V
• Calculated formula: C45 H66 N4 Ni P3 V
• SMILES: c12ccccc1N1C[P](C(C)C)(C(C)C)[Ni]34[V]561[N]2(c1ccccc1N5C[P]3(C(C)C)C(C)C)c1ccccc1N6C[P]4(C(C)C)C(C)C.c1ccccc1
• 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: 10.875 ± 0.003 Å
• b: 10.875 ± 0.003 Å
• c: 21.431 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2195 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No