Information card for entry 2104492

Structure parameters

• Chemical name: bis(4-Amino-3,5-dimethyl-1,2,4-triazole)-bis(isothiocyanato)-zinc(ii).
• Formula: C10 H16 N10 S2 Zn
• Calculated formula: C10 H16 N10 S2 Zn
• SMILES: C(=N[Zn]([n]1nc(C)n(c1C)N)(N=C=S)[n]1c(C)n(c(C)n1)N)=S
• Title of publication: Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
• Authors of publication: Marsh, Richard E.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: 782 - 783
• a: 14.701 ± 0.008 Å
• b: 10.056 ± 0.006 Å
• c: 13.341 ± 0.008 Å
• α: 90°
• β: 106.69 ± 0.007°
• γ: 90°
• Cell volume: 1889.2 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No