Crystallography Open Database

Information card for entry 4314736

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Coordinates	4314736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H29 Cl2 N5 O9 Zn
Calculated formula	C20 H29 Cl2 N5 O9 Zn
Title of publication	Thioester Hydrolysis Promoted by a Mononuclear Zinc Complex
Authors of publication	James J. Danford; Atta M. Arif; Lisa M. Berreau
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	778 - 780
a	10.8255 ± 0.0002 Å
b	14.8072 ± 0.0002 Å
c	32.7227 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	5245.3 ± 0.18 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0661
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.116
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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