Information card for entry 7703995

Structure parameters

• Formula: C22 H45 K N2 O6
• Calculated formula: C22 H45 K N2 O6
• SMILES: [K]123456789([O]%10CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC%10)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C.N.N
• Title of publication: Intermediates and products of the reaction of Zn(ii) organyls with tetrel element Zintl ions: cluster extension versus complexation.
• Authors of publication: Wallach, C.; Mayer, K.; Henneberger, T.; Klein, W.; Fässler, T F
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 19
• Pages of publication: 6191 - 6198
• a: 10.191 ± 0.0002 Å
• b: 16.1458 ± 0.0003 Å
• c: 32.8773 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5409.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No