Crystallography Open Database

Information card for entry 7044619

Preview

Coordinates	7044619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H76 N2 O18 Tb2
Calculated formula	C66 H76 N2 O18 Tb2
SMILES	c12ccccc1[N]1=Cc3c4[O]5[Tb]671(O2)(OC(=CC(=[O]7)c1ccccc1)c1ccccc1)([OH]C)[O]1c2c(C=[N]7c8c(cccc8)O[Tb]8517([O](c4ccc3)C)(OC(=CC(=[O]8)c1ccccc1)c1ccccc1)[OH]C)cccc2[O]6C.CO.CO.CO.CO.CO.CO
Title of publication	Crystal structures and magnetic properties of two series of phenoxo-O bridged dinuclear Ln2 (Ln = Gd, Tb, Dy) complexes
Authors of publication	Machata, Marek; Herchel, Radovan; Nemec, Ivan; Travnicek, Zdenek
Journal of publication	Dalton Transactions
Year of publication	2017
a	10.8918 ± 0.0002 Å
b	12.2785 ± 0.0002 Å
c	13.6668 ± 0.0003 Å
α	65.133 ± 0.002°
β	78.645 ± 0.002°
γ	75.204 ± 0.002°
Cell volume	1594.92 ± 0.06 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0201
Residual factor for significantly intense reflections	0.0177
Weighted residual factors for significantly intense reflections	0.0439
Weighted residual factors for all reflections included in the refinement	0.0443
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
202512 (current)	2017-11-02	cif/ Adding structures of 7044615, 7044616, 7044617, 7044618, 7044619, 7044620 via cif-deposit CGI script.	7044619.cif