Crystallography Open Database

Information card for entry 4313259

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Coordinates	4313259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H34 B Cl2 F3 N6 S Zn
Calculated formula	C38 H33 B Cl2 F3 N6 S Zn
Title of publication	Zinc-Bound Thiolate-Disulfide Exchange: A Strategy for Inhibiting Metallo-β-lactamases
Authors of publication	Heidi Boerzel; Margery Koeckert; Weiming Bu; Bernhard Spingler; Stephen J. Lippard
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	1604 - 1615
a	30.11 ± 0.02 Å
b	11.604 ± 0.008 Å
c	25.342 ± 0.018 Å
α	90°
β	121.096 ± 0.012°
γ	90°
Cell volume	7582 ± 9 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1027
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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