Crystallography Open Database

Information card for entry 4116084

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Coordinates	4116084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 Br N7 O10 Zn2
Calculated formula	C20 H18 Br N7 O10 Zn2
Title of publication	Hydrolysis of β-Lactam Antibiotics Catalyzed by Dinuclear Zinc(II) Complexes: Functional Mimics of Metallo-β-lactamases
Authors of publication	Natalia V. Kaminskaia; Bernhard Spingler; Stephen J. Lippard
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	6411 - 6422
a	8.6489 ± 0.0001 Å
b	17.2821 ± 0.0002 Å
c	19.5061 ± 0.0005 Å
α	90°
β	97.583 ± 0.001°
γ	90°
Cell volume	2890.1 ± 0.09 Å³
Cell temperature	188 ± 2 K
Ambient diffraction temperature	188 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0459
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.1384
Weighted residual factors for all reflections included in the refinement	0.1453
Goodness-of-fit parameter for all reflections included in the refinement	1.19
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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