Crystallography Open Database

Information card for entry 1556561

Preview

Coordinates	1556561.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H44 B4 Cl6 Gd2 N24 O4
Calculated formula	C44 H44 B4 Cl6 Gd2 N24 O4
SMILES	[BH]12n3ccc[n]3[Gd]345([n]6cccn16)([n]1n2ccc1)([n]1n([BH](n2[n]3ccc2)n2[n]4ccc2)ccc1)Oc1c(Cl)c2c(c(c1O5)Cl)O[Gd]1345([n]6cccn6[BH](n6ccc[n]16)n1[n]3ccc1)([n]1n([BH](n3[n]4ccc3)n3ccc[n]53)ccc1)O2.C(Cl)Cl.C(Cl)Cl
Title of publication	Field-Induced Slow Magnetic Relaxation of Mono- and Dinuclear Dysprosium(III) Complexes Coordinated by a Chloranilate with Different Resonance Forms
Authors of publication	Ishikawa, R.; Michiwaki, S.; Noda, T.; Katoh, K.; Yamashita, M.; Matsubara, K.; Kawata, S.
Journal of publication	Inorganics
Year of publication	2018
Journal volume	6
Pages of publication	7
a	13.9697 ± 0.0007 Å
b	15.0061 ± 0.0007 Å
c	14.9113 ± 0.0006 Å
α	90°
β	107.843 ± 0.0013°
γ	90°
Cell volume	2975.5 ± 0.2 Å³
Cell temperature	108 K
Ambient diffraction temperature	108 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0448
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0631
Weighted residual factors for all reflections included in the refinement	0.0671
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
245057 (current)	2019-12-13	cif/ Adding structures of 1556561 via cif-deposit CGI script.	1556561.cif