Information card for entry 1101102

Structure parameters

• Formula: C8 H13 Cl2 N5 O4 Zn
• Calculated formula: C8 H13 Cl2 N5 O4 Zn
• 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: 7.7878 ± 0.0007 Å
• b: 8.6616 ± 0.0006 Å
• c: 10.9133 ± 0.001 Å
• α: 97.841 ± 0.007°
• β: 106.91 ± 0.007°
• γ: 94.22 ± 0.006°
• Cell volume: 692.74 ± 0.1 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: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0873
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No