Information card for entry 4081459

Structure parameters

• Chemical name: [K(2,2,2-crypt)][Zn(mes)(H3B:IPr-H)2]*THF
• Formula: C85 H130 B2 K N6 O7 Zn
• Calculated formula: C85 H129.988 B2 K N6 O7 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: 10.6034 ± 0.0002 Å
• b: 20.3844 ± 0.0004 Å
• c: 21.4219 ± 0.0005 Å
• α: 70.092 ± 0.002°
• β: 89.415 ± 0.002°
• γ: 83.896 ± 0.002°
• Cell volume: 4327.16 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.1802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No