Crystallography Open Database

Information card for entry 7248133

Preview

Coordinates	7248133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15 N5 Pb S2
Calculated formula	C20 H15 N5 Pb S2
Title of publication	On the pivotal role of tetrel bonding in the supramolecular architectures of PbII–NCS complexes with chelating thiosemicarbazide derivatives
Authors of publication	Eftekhari-Sis, Bagher; García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Zangrando, Ennio; Frontera, Antonio; Safin, Damir A.
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	11
Pages of publication	1637 - 1646
a	5.6513 ± 0.0012 Å
b	19.384 ± 0.004 Å
c	18.237 ± 0.004 Å
α	90°
β	98.331 ± 0.008°
γ	90°
Cell volume	1976.7 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.1394
Residual factor for significantly intense reflections	0.1221
Weighted residual factors for significantly intense reflections	0.2664
Weighted residual factors for all reflections included in the refinement	0.2754
Goodness-of-fit parameter for all reflections included in the refinement	1.235
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
290896 (current)	2024-04-05	cif/ Updating files of 7248133, 7248134, 7248135 Original log message: Adding full bibliography for 7248133--7248135.cif.	7248133.cif
289808	2024-02-14	cif/ Adding structures of 7248133, 7248134, 7248135 via cif-deposit CGI script.	7248133.cif