Crystallography Open Database

Information card for entry 7709411

Preview

Coordinates	7709411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H56 Co2 N7 O21 Pr
Calculated formula	C60 H56 Co2 N7 O21 Pr
SMILES	[Pr]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]238([N](=Cc9cccc(c19)[O]4C)c1ccccc1C[OH]2)[N](=Cc1cccc(c1[O]53)[O]6C)c1ccccc1C[OH]8)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	12.746 ± 0.003 Å
b	13.25 ± 0.003 Å
c	21.758 ± 0.006 Å
α	92.052 ± 0.011°
β	92.012 ± 0.001°
γ	118.729 ± 0.016°
Cell volume	3214.4 ± 1.5 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	0.0653
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1205
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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.	7709411.cif
272436	2022-02-03	cif/ Adding structures of 7709409, 7709410, 7709411 via cif-deposit CGI script.	7709411.cif