Crystallography Open Database

Information card for entry 1577492

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Coordinates	Coordinates are not available: file is not found.
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>trans</i>-Diaquabis(pyridin-2-yl thiophen-2-yl ketone-κ^2^<i>N</i>,<i>O</i>)zinc(II) bis(tetrafluoridoborate)
Formula	C20 H18 B2 F8 N2 O4 S2 Zn
Calculated formula	C20 H18 B2 F8 N2 O4 S2 Zn
Title of publication	trans-Diaquabis(pyridin-2-yl thiophen-2-yl ketone-κ2 N,O)zinc(II) bis(tetrafluoridoborate)
Authors of publication	Westcott, Barry; Oliver, Allen G.
Journal of publication	IUCrData
Year of publication	2026
Journal volume	11
Journal issue	10
a	7.1601 ± 0.0003 Å
b	11.9574 ± 0.0004 Å
c	15.2293 ± 0.0005 Å
α	90°
β	103.519 ± 0.002°
γ	90°
Cell volume	1267.75 ± 0.08 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0846
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
306995 (current)	2026-10-23	cif/ Adding structures of 1577492 via cif-deposit CGI script.	1577492.cif