Crystallography Open Database

Information card for entry 1562598

Preview

Coordinates	1562598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 N6 O9 Pb
Calculated formula	C20 H14 N6 O9 Pb
SMILES	c1(C(=O)[O-])c(C(=O)O)[nH]c(c2ccccn2)[n]1[Pb]([OH2])[n]1c(C(=O)[O-])c(C(=O)O)[nH]c1c1ccccn1
Title of publication	Three PbII coordination polymers based on 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylic acid: Syntheses, crystal structures, and fluorescent properties
Authors of publication	Yu, Xiao-Yang; Xin, Rui; Gao, Wei-Ping; Wang, Na; Zhang, Xiao; Yang, Yan-Yan; Qu, Xiao-Shu
Journal of publication	Journal of Solid State Chemistry
Year of publication	2013
Journal volume	204
Pages of publication	314 - 320
a	22.5309 ± 0.0019 Å
b	27.5242 ± 0.0019 Å
c	6.8757 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4263.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0475
Weighted residual factors for all reflections included in the refinement	0.0504
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
265272 (current)	2021-05-17	cif/ Adding structures of 1562597, 1562598, 1562599 via cif-deposit CGI script.	1562598.cif