Crystallography Open Database

Information card for entry 7220747

7220746 << 7220747 >> 7220748

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Structure parameters

Formula	C52 H45 N7 O5 Zn2
Calculated formula	C52 H45 N7 O5 Zn2
SMILES	[Zn]12([N](c3c(cccc3)O1)=Cc1c(ccc(c1)Cc1ccc3c(c1)C=[N]1[Zn]([n]4ccccc4)([n]4ccccc4)(O3)Oc3c1cccc3)O2)([n]1ccccc1)[n]1ccccc1.n1ccccc1.O
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	24.117 ± 0.002 Å
b	10.501 ± 0.0011 Å
c	19.2996 ± 0.0019 Å
α	90°
β	110.243 ± 0.002°
γ	90°
Cell volume	4585.8 ± 0.8 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0854
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1274
Weighted residual factors for all reflections included in the refinement	0.1437
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7220747.cif
176428	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.	7220747.cif
139069	2015-06-11	cif/ Adding structures of 7220747, 7220748 via cif-deposit CGI script.	7220747.cif