Information card for entry 7037199

Structure parameters

• Formula: C13 H24 F6 Ge N4 O6 S2
• Calculated formula: C13 H24 F6 Ge N4 O6 S2
• SMILES: C1C[N]2(CC[N]3(CC[N]1(C)[Ge]23)C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(#N)C
• Title of publication: Cationic aza-macrocyclic complexes of germanium(ii) and silicon(iv).
• Authors of publication: Everett, Matthew; Jolleys, Andrew; Levason, William; Light, Mark E.; Pugh, David; Reid, Gillian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 48
• Pages of publication: 20898 - 20905
• a: 13.541 ± 0.005 Å
• b: 8.543 ± 0.005 Å
• c: 19.62 ± 0.005 Å
• α: 90°
• β: 97.495 ± 0.005°
• γ: 90°
• Cell volume: 2250.3 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No