Crystallography Open Database

Information card for entry 7034821

Preview

Coordinates	7034821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H54 Cl2 Co3 N6 O7
Calculated formula	C69 H50 Co3 N6 O7
SMILES	[Co]123[N](=Cc4c(O1)c1c(O[Co]56Oc7c(C(=[N]6c6c([N]5=C1)cccc6)c1ccccc1)cc(cc7)C)c1c4O[Co]45Oc6c(C(=[N]5c5c([N]4=C1)cccc5)c1ccccc1)cc(cc6)C)c1ccccc1[N]3=C(c1c(O2)ccc(c1)C)c1ccccc1.O
Title of publication	Enhancing the ferromagnetic coupling in extended phloroglucinol complexes by increasing the metal SOMO-ligand overlap: synthesis and characterization of a trinuclear Co triplesalophen complex.
Authors of publication	Oldengott, Jan; Stammler, Anja; Bögge, Hartmut; Glaser, Thorsten
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	21
Pages of publication	9732 - 9735
a	10.2547 ± 0.0003 Å
b	16.1141 ± 0.0005 Å
c	18.9659 ± 0.0005 Å
α	73.517 ± 0.001°
β	89.29 ± 0.002°
γ	74.132 ± 0.002°
Cell volume	2883.48 ± 0.15 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	0.0489
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1088
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
138682 (current)	2015-06-07	cif/ Updating files of 7034821 Original log message: Adding full bibliography for 7034821.cif.	7034821.cif
135861	2015-05-09	cif/ Adding structures of 7034821 via cif-deposit CGI script.	7034821.cif