Information card for entry 8101285

Structure parameters

• Chemical name: hexaaquo cobalt(II) theophylline-7-acetate tetrahydrate
• Formula: C18 H38 Co N8 O18
• Calculated formula: C18 H38 Co0.5 N8 O18
• Title of publication: Crystal structure of hexaaquocobalt(II) theophylline-7-acetate tetrahydrate, [Co(OH~2~)~6~][C~9~H~9~N~4~O~4~]~2~ · 4H~2~O
• Authors of publication: Horn, E.; Botello, A. F.; Salas, J. M.; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 3
• Pages of publication: 441 - 442
• a: 8.141 ± 0.002 Å
• b: 9.117 ± 0.001 Å
• c: 11.893 ± 0.001 Å
• α: 105.4 ± 0.3°
• β: 95.25 ± 0.01°
• γ: 115.08 ± 0.01°
• Cell volume: 749.5 ± 0.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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