Crystallography Open Database

Information card for entry 7222042

7222041 << 7222042 >> 7222043

Preview

Coordinates	7222042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H27 Cd2 N5 O8
Calculated formula	C45 H27 Cd2 N5 O8
Title of publication	A series of mixed-ligand 2D and 3D coordination polymers assembled from a novel multifunctional pyridine-tricarboxylate building block: hydrothermal syntheses, structural and topological diversity, and magnetic and luminescent properties
Authors of publication	Gu, Jinzhong; Cui, Yanhui; Wu, Jiang; Kirillov, Alexander M.
Journal of publication	RSC Adv.
Year of publication	2015
a	8.666 ± 0.003 Å
b	15.518 ± 0.005 Å
c	15.924 ± 0.006 Å
α	103.487 ± 0.004°
β	95.131 ± 0.004°
γ	91.792 ± 0.004°
Cell volume	2071 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0648
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1593
Weighted residual factors for all reflections included in the refinement	0.1676
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7222042.cif
155203	2015-09-08	cif/ Adding structures of 7222042, 7222043, 7222044, 7222045, 7222046, 7222047 via cif-deposit CGI script.	7222042.cif