Information card for entry 7128700

Structure parameters

• Formula: C64 H94 K N4 O9 V
• Calculated formula: C64 H94 K N4 O9 V
• SMILES: [V]12(Oc3c(cc(cc3Cc3cc(cc(c3N2c2ccc(cc2)C)Cc2c(O1)c(cc(c2)C)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C#N.[K]1234567[O]8CC[N]96CC[O]2CC[O]3CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9.O1CCCC1
• Title of publication: Systematic reductive oligomerization of isocyanides with a vanadium(ii) complex.
• Authors of publication: Hasegawa, Sui; Ishida, Yutaka; Kawaguchi, Hiroyuki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 67
• Pages of publication: 8296 - 8299
• a: 13.0496 ± 0.0002 Å
• b: 13.9185 ± 0.0002 Å
• c: 20.5273 ± 0.0003 Å
• α: 94.291 ± 0.001°
• β: 106.075 ± 0.001°
• γ: 116.436 ± 0.001°
• Cell volume: 3121.81 ± 0.09 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No