Crystallography Open Database

Information card for entry 7241246

Preview

Coordinates	7241246.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	<i>catena</i>-[bis(<i>μ</i>~2~-thiophene-3-acetato-κ^3^O:O,O?)lead(II)]
Formula	C12 H10 O4 Pb S2
Calculated formula	C12 H10 O4 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	16.8469 ± 0.0018 Å
b	10.3757 ± 0.0007 Å
c	7.8131 ± 0.0009 Å
α	90°
β	101.473 ± 0.009°
γ	90°
Cell volume	1338.4 ± 0.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1062
Weighted residual factors for all reflections included in the refinement	0.1065
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation probe	x-ray
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
256445 (current)	2020-09-16	cif/ Adding structures of 7241245, 7241246 via cif-deposit CGI script.	7241246.cif