Crystallography Open Database

Information card for entry 7220207

7220206 << 7220207 >> 7220208

Preview

Coordinates	7220207.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 Cd Cl2 N8 O11
Calculated formula	C18 H26 Cd Cl2 N8 O11
Title of publication	A series of two-dimensional microporous triazole-functionalized metal‒organic frameworks with the new multi-dentate ligand 1-(4-aminobenzyl)-1,2,4-triazole: single-crystal-to-single-crystal transformation, structural diversity and luminescent sensing
Authors of publication	Wang, You You; Jin, Qing; Liu, Shi Xin; Guo, Chao; Liu, Yuan Yuan; Ding, Bin; Wu, Xiang Xia; Li, Yan; Zhu, Zhao Zhou
Journal of publication	RSC Adv.
Year of publication	2015
Journal volume	5
Journal issue	44
Pages of publication	35238
a	9.6387 ± 0.0006 Å
b	10.9157 ± 0.0007 Å
c	14.6164 ± 0.0009 Å
α	71.286 ± 0.001°
β	86.654 ± 0.001°
γ	69.072 ± 0.001°
Cell volume	1357.7 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0335
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0728
Weighted residual factors for all reflections included in the refinement	0.0747
Goodness-of-fit parameter for all reflections included in the refinement	1
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.	7220207.cif
135764	2015-05-08	cif/ Adding structures of 7220207, 7220208, 7220209, 7220210, 7220211 via cif-deposit CGI script.	7220207.cif