Information card for entry 2223720

Structure parameters

• Chemical name: Bis[(18-crown-6-κ^6^<i>O</i>)sodium] (18-crown-6-1κ^6^<i>O</i>)-μ-thiocyanato- 1:2κ^2^<i>S</i>:<i>N</i>-pentathiocyanato-2κ^5^<i>N</i>- indate(III)sodium(I) 1,2-dichloroethane sesquisolvate
• Formula: C45 H78 Cl3 In N6 Na3 O18 S6
• Calculated formula: C45 H78 Cl3 In N6 Na3 O18 S6
• SMILES: [In](N=C=S)(N=C=S)(N=C=S)(N=C=S)(N=C=S)N=C=S.[Na]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.[Na]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.[Na]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.ClCCCl.ClCCCl
• Title of publication: Bis[(18-crown-6-κ^6^<i>O</i>)sodium] (18-crown-6-1κ^6^<i>O</i>)-μ-thiocyanato-1:2κ^2^<i>S</i>:<i>N</i>-pentathiocyanato-2κ^5^<i>N</i>-indate(III)sodium 1,2-dichloroethane sesquisolvate
• Authors of publication: Kong, Lingqian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1312
• a: 13.7304 ± 0.0015 Å
• b: 22.144 ± 0.002 Å
• c: 23.469 ± 0.003 Å
• α: 90°
• β: 90.541 ± 0.002°
• γ: 90°
• Cell volume: 7135.3 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• 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: 0.1464
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1808
• Weighted residual factors for all reflections included in the refinement: 0.2355
• 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