Crystallography Open Database

Information card for entry 7709409

Preview

Coordinates	7709409.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H56 Co2 La N7 O21
Calculated formula	C60 H56 Co2 La N7 O21
SMILES	[La]1234567([O]8[Co]9%10%11([N](=Cc%12cccc(c8%12)[O]1C)c1ccccc1C[OH]%10)[N](=Cc1cccc(c1[O]2%11)[O]3C)c1ccccc1C[OH]9)([O]1[Co]239([N](=Cc%10cccc(c1%10)[O]4C)c1ccccc1C[OH]2)[N](=Cc1cccc(c1[O]53)[O]6C)c1ccccc1C[OH]9)ON(=O)=[O]7.N(=O)(=O)[O-].N(=O)(=O)[O-]
Title of publication	Experimental and theoretical insights into Co-Ln magnetic exchange and the rare slow-magnetic relaxation behavior of [CoII2Pr]<sup>2+</sup> in a series of linear [CoII2Ln]<sup>2+</sup> complexes.
Authors of publication	Ahmed, Naushad; Uddin Ansari, Kamal
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	10
Pages of publication	4122 - 4134
a	12.704 ± 0.002 Å
b	13.2508 ± 0.0019 Å
c	21.871 ± 0.004 Å
α	85.942 ± 0.007°
β	87.626 ± 0.007°
γ	61.386 ± 0.004°
Cell volume	3223.8 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.1034
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
274979 (current)	2022-05-05	cif/ Updating files of 7709409, 7709410, 7709411 Original log message: Adding full bibliography for 7709409--7709411.cif.	7709409.cif
272436	2022-02-03	cif/ Adding structures of 7709409, 7709410, 7709411 via cif-deposit CGI script.	7709409.cif