Crystallography Open Database

Information card for entry 1556560

Preview

Coordinates	1556560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H44 B4 Cl6 Dy2 N24 O4
Calculated formula	C44 H44 B4 Cl6 Dy2 N24 O4
SMILES	[BH]12n3ccc[n]3[Dy]345([n]6cccn16)([n]1n2ccc1)([n]1n([BH](n2[n]3ccc2)n2[n]4ccc2)ccc1)Oc1c(Cl)c2c(c(c1O5)Cl)O[Dy]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	13.987 ± 0.0007 Å
b	15.1052 ± 0.0009 Å
c	14.8741 ± 0.0007 Å
α	90°
β	107.659 ± 0.0013°
γ	90°
Cell volume	2994.5 ± 0.3 Å³
Cell temperature	163 K
Ambient diffraction temperature	163 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	0.0477
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0797
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
245056 (current)	2019-12-13	cif/ Adding structures of 1556560 via cif-deposit CGI script.	1556560.cif