Crystallography Open Database

Information card for entry 7035566

Preview

Coordinates	7035566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H14 Cu2 N2 O8
Calculated formula	C22 H14 Cu2 N2 O8
Title of publication	Aminopyridine derivatives controlled the assembly and various properties of Cu-BTC metal-organic frameworks.
Authors of publication	Wang, Xiuli; Le, Mao; Lin, Hongyan; Luan, Jian; Liu, Guocheng; Liu, Danna
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	31
Pages of publication	14008 - 14018
a	10.6876 ± 0.0007 Å
b	12.9221 ± 0.0008 Å
c	18.5048 ± 0.0009 Å
α	90°
β	123.82 ± 0.003°
γ	90°
Cell volume	2123.2 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0413
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0767
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	7035566.cif
153168	2015-08-08	cif/ Updating files of 7035564, 7035565, 7035566 Original log message: Adding full bibliography for 7035564--7035566.cif.	7035566.cif
139710	2015-06-27	cif/ Adding structures of 7035564, 7035565, 7035566 via cif-deposit CGI script.	7035566.cif