Crystallography Open Database

Information card for entry 7704615

Preview

Coordinates	7704615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H29 Dy0.09 N6 O8 Y0.91
Calculated formula	C25 H29 Dy0.0937 N6 O8 Y0.9063
Title of publication	Dysprosium-based complexes with a flat pentadentate donor: a magnetic and ab initio study.
Authors of publication	Fondo, Matilde; Corredoira-Vázquez, Julio; García-Deibe, Ana M; Gómez-Coca, Silvia; Ruiz, Eliseo; Sanmartín-Matalobos, Jesús
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	24
Pages of publication	8389 - 8401
a	10.3588 ± 0.0006 Å
b	14.8159 ± 0.001 Å
c	17.2043 ± 0.0011 Å
α	90°
β	94.679 ± 0.003°
γ	90°
Cell volume	2631.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0581
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0602
Weighted residual factors for all reflections included in the refinement	0.0682
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
253856 (current)	2020-07-06	cif/ Updating files of 7704612, 7704613, 7704614, 7704615 Original log message: Adding full bibliography for 7704612--7704615.cif.	7704615.cif
252965	2020-06-06	cif/ Adding structures of 7704612, 7704613, 7704614, 7704615 via cif-deposit CGI script.	7704615.cif