Crystallography Open Database

Information card for entry 4315290

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Coordinates	4315290.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H35 N7 O5 S5 Zn
Calculated formula	C19 H35 N7 O5 S5 Zn
Title of publication	A Water-Soluble Bis(thiosemicarbazone) Ligand. A Sensitive Probe and Metal Buffer for Zinc
Authors of publication	Gojko Buncic; Paul S. Donnelly; Brett M. Paterson; Jonathan M. White; Matthias Zimmermann; Zhiguang Xiao; Anthony G. Wedd
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	3071 - 3073
a	10.2002 ± 0.0008 Å
b	10.4329 ± 0.0008 Å
c	15.3052 ± 0.0014 Å
α	71.982 ± 0.007°
β	83.602 ± 0.007°
γ	70.492 ± 0.007°
Cell volume	1459.9 ± 0.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.12
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.2492
Weighted residual factors for all reflections included in the refinement	0.2605
Goodness-of-fit parameter for all reflections included in the refinement	1.134
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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