Crystallography Open Database

Information card for entry 7711625

Preview

Coordinates	7711625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H28 Co N8 O4
Calculated formula	C25 H28 Co N8 O4
SMILES	[Co]1234(OC(=N[N]3=C(c3[n]2c(ccc3)C(=[N]4NC(=[O]1)c1ccccc1)C)C)c1ccccc1)([OH]C)N=N#N.OC
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	25.621 ± 0.003 Å
b	8.0234 ± 0.0012 Å
c	24.82 ± 0.003 Å
α	90°
β	90.826 ± 0.005°
γ	90°
Cell volume	5101.7 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0754
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1398
Weighted residual factors for all reflections included in the refinement	0.1596
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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.	7711625.cif