Crystallography Open Database

Information card for entry 7711622

Preview

Coordinates	7711622.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H25 Co N5 O4
Calculated formula	C24 H25 Co N5 O4
SMILES	[Co]1234(OC(=N[N]2=C(C)c2[n]3c(ccc2)C(=[N]4N=C(O1)c1ccccc1)C)c1ccccc1)([OH]C)[OH2]
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	9.9206 ± 0.0008 Å
b	24.0797 ± 0.0017 Å
c	10.0515 ± 0.0008 Å
α	90°
β	109.445 ± 0.009°
γ	90°
Cell volume	2264.2 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.085
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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.	7711622.cif