Information card for entry 7703455

Structure parameters

• Chemical name: (1,3-bis(2,6-diisopropylphenyl)-5-phenyl-2,3-dihydro-1H-1,2,3-triazol-4-yl)(1-(2,6-diisopropylphenyl)-3-(2-ethyl-6-isopropylphenyl)-5-phenyl-2,3-dihydro-1H-1,2,3-triazol-4-yl)cobalt(II) chloride
• Formula: C64 H78 Cl2 Co N6
• Calculated formula: C64 H78 Cl2 Co N6
• Title of publication: Tuning electronic structure through halide modulation of mesoionic carbene cobalt complexes.
• Authors of publication: Mantanona, Alex J.; Tolentino, Daniel R.; Cay, Kristine S.; Gembicky, Milan; Jazzar, Rodolphe; Bertrand, Guy; Rinehart, Jeffrey D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 8
• Pages of publication: 2426 - 2430
• a: 13.6433 ± 0.001 Å
• b: 15.2982 ± 0.0011 Å
• c: 15.8757 ± 0.0012 Å
• α: 97.413 ± 0.002°
• β: 91.715 ± 0.003°
• γ: 97.494 ± 0.002°
• Cell volume: 3254.1 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No