Crystallography Open Database

Information card for entry 7220748

7220747 << 7220748 >> 7220749

Preview

Coordinates	7220748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H38 N6 O4 Zn2
Calculated formula	C46 H38 N6 O4 Zn2
SMILES	[n]1(ccccc1)[Zn]123[N](c4c(cccc4)[O]2[Zn]24(Oc5ccccc5C=[N]2c2c(cccc2)[O]14)[n]1ccccc1)=Cc1c(O3)cccc1.n1ccccc1.n1ccccc1
Title of publication	Metal Complexes Bearing 2-(Imidazole-2-yl)phenol Ligands: Synthesis, Characterization and Catalytic Performance in the Fixation of Carbon Dioxide with Epoxides
Authors of publication	Peng, Jing; Yang, Hai-Jian; Wei, Zidong; Guo, Cunyue
Journal of publication	RSC Adv.
Year of publication	2015
a	9.4564 ± 0.0013 Å
b	10.03 ± 0.0014 Å
c	11.8005 ± 0.0016 Å
α	112.481 ± 0.002°
β	101.031 ± 0.002°
γ	94.373 ± 0.002°
Cell volume	1001.2 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0411
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.1132
Weighted residual factors for all reflections included in the refinement	0.1319
Goodness-of-fit parameter for all reflections included in the refinement	1.128
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.	7220748.cif
139069	2015-06-11	cif/ Adding structures of 7220747, 7220748 via cif-deposit CGI script.	7220748.cif