Crystallography Open Database

Information card for entry 7711623

Preview

Coordinates	7711623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H21 Co N7 O10
Calculated formula	C13 H21 Co N7 O10
SMILES	[Co]1234([O]=CN[N]3=C(c3[n]2c(ccc3)C(=[N]4NC=[O]1)C)C)([OH]C)[OH]C.O=N(=O)[O-].O=N(=O)[O-]
Title of publication	Modulation of the magnetic dynamics of pentagonal-bipyramidal Co(II) complexes by fine-tuning the coordination microenvironment.
Authors of publication	Qin, Yuanyuan; Wu, Yuewei; Luo, Shuchang; Xi, Jing; Guo, Yan; Ding, Yi; Zhang, Jun; Liu, Xiangyu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
a	7.667 ± 0.0019 Å
b	15.405 ± 0.003 Å
c	18.209 ± 0.005 Å
α	90°
β	96.489 ± 0.009°
γ	90°
Cell volume	2136.9 ± 0.9 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 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	0.1113
Residual factor for significantly intense reflections	0.09
Weighted residual factors for significantly intense reflections	0.258
Weighted residual factors for all reflections included in the refinement	0.2766
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
278888 (current)	2022-11-01	cif/ Adding structures of 7711622, 7711623, 7711624, 7711625 via cif-deposit CGI script.	7711623.cif