Information card for entry 2020319

Structure parameters

• Common name: Bis(1,3,5-triazaniumyl-1,3,5-trideoxy-<i>cis</i>-inositolate-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')germanium(IV) tetrachloride hexahydrate
• Chemical name: Bis[2,4,6-triazaniumylcyclohexane-1,3,5-tris(olate)-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'']germanium(IV) tetrachloride hexahydrate
• Formula: C12 H42 Cl4 Ge N6 O12
• Calculated formula: C12 H42 Cl4 Ge N6 O12
• SMILES: C12C(C3C(C(C1[NH3+])O[Ge]14(O2)(OC2C(C(C(C(C2[NH3+])O4)[NH3+])O1)[NH3+])O3)[NH3+])[NH3+].[Cl-].[Cl-].O.O.O.O.O.O.[Cl-].[Cl-]
• Title of publication: Hydrogen-bonding patterns in bis[2,4,6-triazaniumylcyclohexane-1,3,5-tris(olate)-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'']germanium(IV) tetrachloride hexahydrate
• Authors of publication: Neis, Christian; Morgenstern, Bernd; Hegetschweiler, Kaspar
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 1
• Pages of publication: 28 - 34
• a: 8.5247 ± 0.0005 Å
• b: 10.9152 ± 0.0006 Å
• c: 15.1592 ± 0.0008 Å
• α: 82.98 ± 0.002°
• β: 79.248 ± 0.002°
• γ: 70.022 ± 0.002°
• Cell volume: 1299.78 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0187
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.0483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes