Information card for entry 2202941

Structure parameters

• Chemical name: Diammonium tetrathiocyanatocobaltate(II) tetrahydrate
• Formula: C4 H8 Co N6 O4 S4
• Calculated formula: C4 H16 Co N6 O4 S4
• SMILES: C(=N[Co](N=C=S)(N=C=S)N=C=S)=S.[NH4+].O.[NH4+].O.O.O
• Title of publication: Diammonium tetrathiocyanatocobaltate(II) tetrahydrate
• Authors of publication: Becker, Steffi; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: i156 - i157
• a: 12.205 ± 0.0016 Å
• b: 12.205 ± 0.0016 Å
• c: 5.3588 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 798.26 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1726
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes