Crystallography Open Database

Information card for entry 2021699

2021698 << 2021699 >> 2021700

Preview

Structure parameters

Chemical name	<i>catena</i>-Poly[[bis[5,6-bis(furan-2-yl)-3-(pyridin-2-yl-κ<i>N</i>)-1,2,4-triazine-κ<i>N</i>^2^]lead(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]
Formula	C34 H20 N10 O4 Pb S2
Calculated formula	C34 H20 N10 O4 Pb S2
Title of publication	Spectral, structural and theoretical study of the effects of thiocyanato and dicyanamido ligands on the geometry of PbII complexes containing a triazinic ligand
Authors of publication	Marandi, Farzin; Moeini, Keyvan; Mardani, Zahra; Krautscheid, Harald
Journal of publication	Acta Crystallographica Section C Structural Chemistry
Year of publication	2019
Journal volume	75
Journal issue	8
a	19.7746 ± 0.0009 Å
b	6.7721 ± 0.0003 Å
c	25.0692 ± 0.0008 Å
α	90°
β	99.286 ± 0.005°
γ	90°
Cell volume	3313.2 ± 0.2 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.0541
Weighted residual factors for all reflections included in the refinement	0.0553
Goodness-of-fit parameter for all reflections included in the refinement	0.913
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
216788 (current)	2019-07-06	cif/ hkl/ Adding structures of 2021698, 2021699, 2021700 via cif-deposit CGI script.	2021699.cif 2021699.hkl