Information card for entry 2238431

Structure parameters

• Chemical name: Diammonium tetrakis(isothiocyanato)zincate‒1,4,10,13,16-hexaoxacyclooctadecane‒water (1/2/1)
• Formula: C28 H58 N6 O13 S4 Zn
• Calculated formula: C28 H58 N6 O13 S4 Zn
• Title of publication: Diammonium tetrakis(isothiocyanato)zincate‒1,4,10,13,16-hexaoxacyclooctadecane‒water (1/2/1)
• Authors of publication: Showrilu, K.; Rajarajan, K.; NizamMohideen, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: m469 - m470
• a: 22.7875 ± 0.0012 Å
• b: 23.6254 ± 0.0012 Å
• c: 8.5593 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4608 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.119
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes