Crystallography Open Database

Information card for entry 1556562

Preview

Coordinates	1556562.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 B2 Cl2 Co Dy N12 O4
Calculated formula	C34 H30 B2 Cl2 Co Dy N12 O4
SMILES	[Dy]12345(OC6=C(Cl)C(=O)C(=O)C(=C6O1)Cl)([n]1n(ccc1)[BH](n1[n]2ccc1)n1[n]3ccc1)[n]1n(ccc1)[BH](n1[n]4ccc1)n1[n]5ccc1.[Co]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51
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	9.5145 ± 0.0003 Å
b	19.2573 ± 0.0007 Å
c	20.4459 ± 0.0007 Å
α	90°
β	100.727 ± 0.001°
γ	90°
Cell volume	3680.7 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0535
Weighted residual factors for all reflections included in the refinement	0.056
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
245058 (current)	2019-12-13	cif/ Adding structures of 1556562 via cif-deposit CGI script.	1556562.cif