Crystallography Open Database

Information card for entry 4319583

4319582 << 4319583 >> 4319584

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Coordinates	4319583.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H18.75 Cl1.75 N3 O9 Zn
Calculated formula	C6 H13.98 Cl1.75 N3.01 O8.95 Zn
Title of publication	Carboxy Ester Hydrolysis Promoted by a Zinc(II) 2-[Bis(2-aminoethyl)amino]ethanol Complex: A New Model for Indirect Activation on the Serine Nucleophile by Zinc(II) in Zinc Enzymes
Authors of publication	Jiang Xia; Yan Xu; Shu-an Li; Wei-yin Sun; Kai-bei Yu; Wen-xia Tang
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	2394 - 2401
a	11.5126 ± 0.0009 Å
b	11.5126 ± 0.0009 Å
c	11.5126 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1525.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	215
Hermann-Mauguin space group symbol	P -4 3 m
Hall space group symbol	P -4 2 3
Residual factor for all reflections	0.0756
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.1853
Weighted residual factors for all reflections included in the refinement	0.1961
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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