Information card for entry 2206866

Structure parameters

• Chemical name: Bis[(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium] carbonyltricyanorhodate(I) acetonitrile solvate
• Formula: C30 H51 K2 N4 O13 Rh
• Calculated formula: C30 H51 K2 N4 O13 Rh
• SMILES: C(#[O])[Rh](C#[N][K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)(C#N)C#[N][K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.C(#N)C
• Title of publication: Bis[(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium] carbonyltricyanorhodate(I) acetonitrile solvate
• Authors of publication: Whaley, Curtis M.; Rauchfuss, Thomas B.; Wilson, Scott R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m1918 - m1919
• a: 22.439 ± 0.006 Å
• b: 8.553 ± 0.002 Å
• c: 20.576 ± 0.005 Å
• α: 90°
• β: 90.178 ± 0.004°
• γ: 90°
• Cell volume: 3948.9 ± 1.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes