Information card for entry 1101092

Structure parameters

• Formula: C8 H13 Cd Cl2 N5 O4
• Calculated formula: C8 H13 Cd Cl2 N5 O4
• Title of publication: Synthesis and structural studies of metal-acyclovir (ACV) complexes: [Ni(or Co)(ACV)~2~(H~2~O)~4~]Cl~2~.2ACV, [Zn(ACV)Cl~2~(H~2~O)], [Cd(ACV)Cl~2~].H~2~O and [{Hg(ACV)Cl~2~}~x~]. Recognition of acyclovir by Ni-ACV
• Authors of publication: Ángel García Raso; Juan J. Fiol; Ferran Bádenas; Rosa Cons; Ángel Terrón; Miguel Quirós
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Pages of publication: 167 - 173
• a: 7.2653 ± 0.0005 Å
• b: 7.9452 ± 0.0006 Å
• c: 12.5441 ± 0.001 Å
• α: 84.702 ± 0.006°
• β: 75.186 ± 0.006°
• γ: 78.932 ± 0.005°
• Cell volume: 686.3 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.058
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No