Crystallography Open Database

Information card for entry 7222139

Preview

Coordinates	7222139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H40 N4 Nd4 O32
Calculated formula	C64 H40 N4 Nd4 O32
Title of publication	New luminescent porous coordination polymers with an acylamide-decorated linker for anion recognition and reversible I2accommodation
Authors of publication	Duan, Jingui; Zou, Changchang; Li, Qianqian; Jin, Wanqin
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	43
Pages of publication	8226
a	14.331 ± 0.002 Å
b	23.7137 ± 0.0015 Å
c	25.4868 ± 0.0014 Å
α	86.039 ± 0.002°
β	74.929 ± 0.003°
γ	74.441 ± 0.002°
Cell volume	8057.1 ± 1.3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.0619
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1114
Weighted residual factors for all reflections included in the refinement	0.1165
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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.	7222139.cif
171053	2015-12-09	cif/ Updating files of 7222137, 7222138, 7222139 Original log message: Adding full bibliography for 7222137--7222139.cif.	7222139.cif
156341	2015-09-16	cif/ Adding structures of 7222137, 7222138, 7222139 via cif-deposit CGI script.	7222139.cif