Crystallography Open Database

Information card for entry 7006650

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Coordinates	7006650.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H60 Cl2 N10 O10 Zn2
Calculated formula	C40 H60 Cl2 N10 O10 Zn2
Title of publication	Thioester hydrolysis reactivity of zinc hydroxide complexes: investigating reactivity relevant to glyoxalase II enzymes.
Authors of publication	Berreau, Lisa M.; Saha, Amrita; Arif, Atta M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	1
Pages of publication	183 - 192
a	16.5217 ± 0.0003 Å
b	16.3421 ± 0.0002 Å
c	19.4004 ± 0.0004 Å
α	90°
β	112.834 ± 0.0008°
γ	90°
Cell volume	4827.59 ± 0.15 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
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	0.0628
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1267
Weighted residual factors for all reflections included in the refinement	0.1302
Goodness-of-fit parameter for all reflections included in the refinement	1.22
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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