Information card for entry 4081456

Structure parameters

• Chemical name: K[Zn(mes)(IPr-H)2]*hex*0.5THF
• Formula: C71 H99 K N4 O0.5 Zn
• Calculated formula: C71 H99 K N4 O0.5 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: 12.727 ± 0.0002 Å
• b: 14.2701 ± 0.0002 Å
• c: 19.9779 ± 0.0003 Å
• α: 72.067 ± 0.001°
• β: 85.878 ± 0.001°
• γ: 75.152 ± 0.001°
• Cell volume: 3336.66 ± 0.09 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: 0.0549
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No