Crystallography Open Database

Information card for entry 4305240

Preview

Coordinates	4305240.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 F12 N3 Ni O10 Tb
Calculated formula	C40 H40 F12 N3 Ni O10 Tb
SMILES	[Tb]1234(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)([O]2[Ni]5678[O]1c1c(C=[N]7CC(C)(C[N]8=Cc7c2cccc7)C[N]5=Cc2c([O]36)cccc2)cccc1)([O]=C(C(F)(F)F)C=C(O4)C(F)(F)F)[OH]CC.OCC.O
Title of publication	Synthesis, Structures, and Magnetic Properties of Face-Sharing Heterodinuclear Ni(II)-Ln(III) (Ln = Eu, Gd, Tb, Dy) Complexes
Authors of publication	Tomoka Yamaguchi; Yukinari Sunatsuki; Hiroyuki Ishida; Masaaki Kojima; Haruo Akashi; Nazzareno Re; Naohide Matsumoto; Andrzej Pochaba; Jerzy Mroziński
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	5736 - 5745
a	12.8622 ± 0.0012 Å
b	13.3803 ± 0.0013 Å
c	14.8945 ± 0.0015 Å
α	83.752 ± 0.002°
β	64.7225 ± 0.0018°
γ	88.102 ± 0.002°
Cell volume	2303.9 ± 0.4 Å³
Cell temperature	93.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for all reflections included in the refinement	0.11
Goodness-of-fit parameter for all reflections included in the refinement	0.913
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4305240.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305240.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305240.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305240.cif