Crystallography Open Database

Information card for entry 1577473

Preview

Coordinates	1577473.cif
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>)cobalt(II) bis(tetrafluoridoborate)
Formula	C20 H18 B2 Co F8 N2 O4 S2
Calculated formula	C20 H18 B2 Co F8 N2 O4 S2
Title of publication	<i>trans</i>-Di-aqua-bis-(pyridin-2-yl thio-phen-2-yl ketone-κ<sup>2</sup> <i>N</i>,<i>O</i>)cobalt(II) bis-(tetra-fluorido-borate).
Authors of publication	Westcott, Barry L.
Journal of publication	IUCrData
Year of publication	2026
Journal volume	11
Journal issue	Pt 7
Pages of publication	x260749
a	7.2133 ± 0.0004 Å
b	11.9888 ± 0.0008 Å
c	15.2093 ± 0.001 Å
α	90°
β	103.623 ± 0.002°
γ	90°
Cell volume	1278.28 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0355
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
306802 (current)	2026-08-29	cif/ Adding structures of 1577473 via cif-deposit CGI script.	1577473.cif