Crystallography Open Database





Information card for 7205967

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Coordinates

7205967.cif

Structure parameters

Formula - C54 H48 Ag2 B2 F8 I4 N12 O14 -
Calculated formula - C54 H48 Ag2 B2 F8 I4 N12 O14 -
Title of publication Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion
Authors of publication Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der
Journal of publication CrystEngComm
Year of publication 2011
Journal volume 13
Journal issue 12
Pages of publication 4121
a 9.8556 ± 0.0012 Å
b 10.8736 ± 0.0014 Å
c 15.375 ± 0.002 Å
α 92.219 ± 0.009°
β 95.523 ± 0.009°
γ 94.117 ± 0.01°
Cell volume 1634.1 ± 0.4 Å3
Cell temperature 295 ± 2 K
Ambient diffraction temperature 295 ± 2 K
Number of distinct elements 8
Hermann-Mauguin symmetry space group P -1
Hall symmetry space group -P 1
Residual factor for all reflections 0.0853
Residual factor for observed reflections 0.0459
Weighted residual factors for the observed reflections 0.09
Weighted residual factors for all reflections included in the refinement 0.1044
Goodness-of-fit parameter for observed reflections 1.013
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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