Information card for entry 2000617

Structure parameters

• Formula: C13 H32 Co F12 N4 Na O16 S4
• Calculated formula: C13 H32 Co F12 N4 Na O16 S4
• SMILES: C1CC[N]23[Co]([NH2]1)([OH2])([OH2])([NH2]CCC3)[NH2]CCC2.[Na]1(OS(=O)(=[O]1)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)[OH2].O
• Title of publication: Structure of diaqua[tris(3-aminopropyl)amine]cobalt(III) aquatetrakis(trifluoromethanesulfonato)sodate(I) monohydrate
• Authors of publication: Rawji, G. H.; Lynch, V. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 9
• Pages of publication: 1667 - 1669
• a: 13.2099 ± 0.0009 Å
• b: 12.1272 ± 0.0012 Å
• c: 21.847 ± 0.002 Å
• α: 90°
• β: 107.4 ± 0.006°
• γ: 90°
• Cell volume: 3339.7 ± 0.5 ų
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No