Crystallography Open Database

Information card for entry 2311355

Preview

Coordinates	2311355.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[[aqua(μ-2,3-dihydrothieno[3,4-<i>b</i>][1,4]dioxine-5,7-dicarboxylato-κ^2^<i>O</i>^5^:<i>O</i>^7^)[μ-di(pyridin-4-yl)sulfane-κ^2^<i>N</i>:<i>N</i>']zinc] 0.26-hydrate]
Formula	C18 H14.524 N2 O7.262 S2 Zn
Calculated formula	C18 H14 N2 O7.262 S2 Zn
Title of publication	Crystal structure of poly[[aqua-(μ-2,3-di-hydro-thieno[3,4-<i>b</i>][1,4]dioxine-5,7-di-carboxyl-ato-κ<sup>2</sup><i>O</i><sup>5</sup>:<i>O</i><sup>7</sup>)[μ-di(pyridin-4-yl)sulfane-κ<sup>2</sup><i>N</i>:<i>N</i>']zinc] 0.26-hydrate].
Authors of publication	Wu, Wen-Liang; Hu, Bing
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 3
Pages of publication	375 - 377
a	10.0052 ± 0.0006 Å
b	10.2173 ± 0.0005 Å
c	10.6694 ± 0.0005 Å
α	87.515 ± 0.004°
β	68.625 ± 0.005°
γ	73.988 ± 0.005°
Cell volume	974.27 ± 0.1 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0342
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0672
Weighted residual factors for all reflections included in the refinement	0.0694
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
245819 (current)	2019-12-25	cif/ Adding structures of 2311355 via cif-deposit CGI script.	2311355.cif