Information card for entry 7100733

Structure parameters

• Common name: Co(NH3)6(C8H8S2O6)1.5(H2O)2
• Formula: C24 H50 Co2 N12 O22 S6
• Calculated formula: C24 H60 Co2 N12 O22 S6
• SMILES: C(c1ccc(cc1)CS(=O)(=O)[O-])S(=O)(=O)[O-].C(S(=O)(=O)[O-])c1ccc(CS(=O)(=O)[O-])cc1.[Co]([NH3])([NH3])([NH3])([NH3])([NH3])[NH3].[Co]([NH3])([NH3])([NH3])([NH3])([NH3])[NH3].O.O.C(c1ccc(cc1)CS(=O)(=O)[O-])S(=O)(=O)[O-].O.O
• Title of publication: Selective guest inclusion in a non-porous H-bonded host
• Authors of publication: George Shimizu; Sean A. Dalrymple
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 7.51 ± 0.0002 Å
• b: 13.21 ± 0.0003 Å
• c: 13.845 ± 0.0004 Å
• α: 63.91 ± 0.0011°
• β: 84.736 ± 0.0011°
• γ: 86.815 ± 0.0018°
• Cell volume: 1228.19 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No