Information card for entry 2018090

Structure parameters

• Chemical name: Bis[(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium(+)] pentacarbonylchromate(2-) ethylenediamine monosolvate
• Formula: C43 H80 Cr K2 N6 O17
• Calculated formula: C43 H80 Cr K2 N6 O17
• SMILES: [Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O].[K]1234567[O]8CC[N]96CC[O]3CC[O]2CC[N]7(CC[O]1CC8)CC[O]4CC[O]5CC9.[K]1234567[O]8CC[N]96CC[O]3CC[O]2CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9.NCCN
• Title of publication: The pentacoordinated [Cr(CO)~5~]^2{-^} dianion in [2,2,2-crypt-K]~2~[Cr(CO)~5~] ethylenediamine monosolvate
• Authors of publication: Zhai, Jun; Xu, Li
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m202 - m204
• a: 11.034 ± 0.003 Å
• b: 11.741 ± 0.004 Å
• c: 12.818 ± 0.003 Å
• α: 63.883 ± 0.007°
• β: 66.841 ± 0.01°
• γ: 86.82 ± 0.013°
• Cell volume: 1356.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes