Crystallography Open Database

Information card for entry 1561886

Preview

Coordinates	1561886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H50 Co2 N10 O16
Calculated formula	C74 H50 Co2 N10 O16
SMILES	c1c(c2ccc(cc2)C(=O)[O-])c(C2=[O][Co]34([n]5c(nc(nc5N)c5ccccc5)N)OC(=[O][Co]([n]5c(nc(nc5N)c5ccccc5)N)([O]=C(O3)c3ccccc3c3ccc(cc3)C(=O)[O-])(OC(c3ccccc3c3ccc(cc3)C(=O)[O-])=[O]4)O2)c2ccccc2c2ccc(cc2)C(=O)[O-])ccc1
Title of publication	Utilization of mixed ligands to construct two new coordination polymers: Syntheses, structures and properties
Authors of publication	Wang, Yansong; Zhou, Zhimin
Journal of publication	Journal of Solid State Chemistry
Year of publication	2015
Journal volume	228
Pages of publication	117 - 123
a	11.7078 ± 0.0016 Å
b	12.3962 ± 0.0016 Å
c	12.9998 ± 0.0018 Å
α	67.853 ± 0.002°
β	67.94 ± 0.002°
γ	79.041 ± 0.002°
Cell volume	1617 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.063
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1126
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
264292 (current)	2021-04-19	cif/ Adding structures of 1561886, 1561887 via cif-deposit CGI script.	1561886.cif