Information card for entry 2016072

Structure parameters

• Chemical name: Sodium tris(glycinium) bis(hexafluorosilicate) tris(glycine)
• Formula: C12 H33 F12 N6 Na O12 Si2
• Calculated formula: C12 H33 F12 N6 Na O12 Si2
• SMILES: C(=O)(O)C[NH3+].C(=O)(C[NH3+])[O-].OC(=O)C[NH3+].C(=O)(C[NH3+])[O-].F[Si](F)(F)(F)([F-])[F-].[Na+].C(=O)(C[NH3+])O.C(=O)(C[NH3+])[O-].F[Si](F)(F)(F)([F-])[F-]
• Title of publication: Sodium tris(glycinium) bis(hexafluorosilicate) glycine trisolvate
• Authors of publication: Naranya, Moolya B.; Chitharanjan Raj; Dharmaprakash, S. M.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m312 - m314
• a: 5.5364 ± 0.0001 Å
• b: 10.9918 ± 0.0002 Å
• c: 11.8432 ± 0.0002 Å
• α: 107.631 ± 0.001°
• β: 102.397 ± 0.001°
• γ: 93.562 ± 0.001°
• Cell volume: 664.56 ± 0.02 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes