Crystallography Open Database

Information card for entry 4510172

Preview

Coordinates	4510172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H9 Cd N O5
Calculated formula	C13 H7 Cd N O5
Title of publication	Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine
Authors of publication	Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	3
Pages of publication	1110
a	7.6105 ± 0.0006 Å
b	16.907 ± 0.0012 Å
c	18.8834 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2429.7 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0265
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0526
Weighted residual factors for all reflections included in the refinement	0.0542
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4510172.cif
106399	2014-03-15	cif/ Adding structures of 4510171, 4510172, 4510173, 4510174, 4510175, 4510176, 4510177, 4510178, 4510179, 4510180, 4510181 via cif-deposit CGI script.	4510172.cif