Crystallography Open Database

Information card for entry 7222047

7222046 << 7222047 >> 7222048

Preview

Coordinates	7222047.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H32 Mn3 N6 O14
Calculated formula	C52 H32 Mn3 N6 O14
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	8.622 ± 0.0004 Å
b	39.658 ± 0.003 Å
c	13.6015 ± 0.0006 Å
α	90°
β	92.6 ± 0.005°
γ	90°
Cell volume	4646 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1146
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.1934
Weighted residual factors for all reflections included in the refinement	0.223
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
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.	7222047.cif
155203	2015-09-08	cif/ Adding structures of 7222042, 7222043, 7222044, 7222045, 7222046, 7222047 via cif-deposit CGI script.	7222047.cif