Information card for entry 2228019

Structure parameters

• Chemical name: Bis[bis(3,5-diamino-1<i>H</i>-1,2,4-triazol-4-ium)copper(I)] tris(hexafluoridosilicate)
• Formula: C8 H24 Cu2 F18 N20 Si3
• Calculated formula: C8 H24 Cu2 F18 N20 Si3
• SMILES: c1([nH][n](c([nH+]1)N)[Cu][n]1c([nH+]c([nH]1)N)N)N.F[Si](F)(F)(F)([F-])[F-].[Si](F)(F)(F)(F)([F-])[F-].c1([nH][n](c([nH+]1)N)[Cu][n]1c([nH+]c([nH]1)N)N)N.F[Si](F)(F)(F)([F-])[F-]
• Title of publication: Bis[bis(3,5-diamino-1<i>H</i>-1,2,4-triazol-4-ium)copper(I)] tris(hexafluoridosilicate)
• Authors of publication: Mys'kiv, Marian; Goreshnik, Evgeny
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1453 - m1454
• a: 7.482 ± 0.002 Å
• b: 8.366 ± 0.001 Å
• c: 12.131 ± 0.003 Å
• α: 87.98 ± 0.02°
• β: 89.11 ± 0.02°
• γ: 67.89 ± 0.02°
• Cell volume: 703.1 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes