Crystallography Open Database

Information card for entry 7241245

Preview

Coordinates	7241245.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	<i>catena</i>-[aqua(<i>μ</i>~3~-thiophene-2-acetato-κ^4^O:O,O?:O?)\ (thiophene-2-acetato-κ^2^O,O?)lead(II)]
Formula	C12 H12 O5 Pb S2
Calculated formula	C12 H12 O5 Pb S2
Title of publication	Exploring thiophene-2-acetate and thiophene-3-acetate binding modes towards the molecular, supramolecular structures and photoluminescence properties of Pb(II) polymers
Authors of publication	Kowalik, Mateusz; Masternak, Joanna; Kazimierczuk, Katarzyna; Kupcewicz, Bogumila; Khavryuchenko , Oleksiy; Barszcz, Barbara
Journal of publication	CrystEngComm
Year of publication	2020
a	7.2703 ± 0.0013 Å
b	9.7597 ± 0.0017 Å
c	11.424 ± 0.002 Å
α	104.565 ± 0.015°
β	103.831 ± 0.015°
γ	99.589 ± 0.014°
Cell volume	739.3 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0727
Weighted residual factors for all reflections included in the refinement	0.075
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
256445 (current)	2020-09-16	cif/ Adding structures of 7241245, 7241246 via cif-deposit CGI script.	7241245.cif