Information card for entry 1552297

Structure parameters

• Chemical name: Poly[diaqua[μ-<i>D</i>-(+)-glucosammonium]tri-μ-thiocyanato-thiocyanatocobalt(II)potassium(I)]
• Formula: C10 H18 Co K N5 O7 S4
• Calculated formula: C10 H18 Co K N5 O7 S4
• Title of publication: Crystal structure of a salt with a protonated sugar cation and a cobalt(II) complex anion: (GlcN‒H, K)[Co(NCS)~4~]·2H~2~O
• Authors of publication: Peppel, Tim; Detert, Sabine M. L.; Vogel, Christian; Köckerling, Martin
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 9
• Pages of publication: x191142
• a: 9.3713 ± 0.0002 Å
• b: 14.1059 ± 0.0003 Å
• c: 15.7347 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2079.98 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes