Information card for entry 4081461

Structure parameters

• Chemical name: [K(18-crown-6)][Zn(mes)(THF)(O2C:IPr-H)2]
• Formula: C77 H105 K N4 O10 Zn
• Calculated formula: C77 H105 K N4 O10 Zn
• Title of publication: Group 12 Metal Complexes of N-Heterocyclic Ditopic Carbanionic Carbenes
• Authors of publication: Waters, Jordan B.; Turbervill, Robert S. P.; Goicoechea, Jose M.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 18
• Pages of publication: 5190
• a: 13.4213 ± 0.0003 Å
• b: 14.736 ± 0.0006 Å
• c: 19.952 ± 0.0008 Å
• α: 73.97 ± 0.003°
• β: 86.186 ± 0.002°
• γ: 85.193 ± 0.002°
• Cell volume: 3775.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0811
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1727
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No