Information card for entry 2013252

Structure parameters

• Common name: (H4-tet b) bis(hexafluorogermanate)tetrahydrate
• Chemical name: rac-5,7,7,12,12,14-hexamethyl- 1,4,8,11-tetraazoniacyclotetradecane bis(hexafluorogermanate) tetrahydrate
• Formula: C16 H48 F12 Ge2 N4 O4
• Calculated formula: C16 H48 F12 Ge2 N4 O4
• SMILES: C1C[NH2+][C@H](CC([NH2+]CC[NH2+][C@@H](CC([NH2+]1)(C)C)C)(C)C)C.F[Ge]([F-])(F)([F-])(F)F.O.O.F[Ge]([F-])(F)([F-])(F)F.O.O
• Title of publication: The monoclinic polymorph of <i>rac</i>-5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazoniacyclotetradecane bis(hexafluorogermanate) tetrahydrate
• Authors of publication: Fonari, Marina S.; Simonov, Yurii A.; Chumakov, Yurii M.; Bocelli, Gabriele; Ganin, Eduard V.; Gelmboldt, Vladimir O.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: m168 - m170
• a: 9.565 ± 0.0019 Å
• b: 16.522 ± 0.003 Å
• c: 9.021 ± 0.0018 Å
• α: 90°
• β: 96.28 ± 0.03°
• γ: 90°
• Cell volume: 1417.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes