Information card for entry 7039766

Structure parameters

• Chemical name: 2_NaNCS
• Formula: C28 H38 N5 Na O10 S
• Calculated formula: C28 H38 N5 Na O10 S
• Title of publication: Cooperative binding and extraction of sodium nitrite by a ditopic receptor incorporated into a polymeric resin.
• Authors of publication: Ziach, K.; Karbarz, M.; Romański, J
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 29
• Pages of publication: 11639 - 11643
• a: 10.2359 ± 0.0005 Å
• b: 27.7408 ± 0.0015 Å
• c: 11.1772 ± 0.0006 Å
• α: 90°
• β: 97.5158 ± 0.0014°
• γ: 90°
• Cell volume: 3146.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0625
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No