Crystallography Open Database

Information card for entry 7059031

Preview

Coordinates	7059031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H179 Gd9 N16 O47
Calculated formula	C144 H168 Gd9 N16 O42
Title of publication	Rationally assembled nonanuclear lanthanide clusters: Dy9 displays slow relaxation of magnetization and Tb9 serves as luminescent sensor for Fe3+, CrO42- and Cr2O72-
Authors of publication	Huang, Yuan; Qin, Yaru; Ge, Yu; Cui, Yanfeng; Zhang, Xiamei; Li, Yahong; Yao, Jinlei
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	48
Pages of publication	19344 - 19354
a	21.6307 ± 0.0004 Å
b	21.6307 ± 0.0004 Å
c	17.8974 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	8374 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.1013
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.1704
Weighted residual factors for all reflections included in the refinement	0.1829
Goodness-of-fit parameter for all reflections included in the refinement	1.145
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
301442 (current)	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7059031.cif
227687	2019-11-13	cif/ Adding structures of 7059031, 7059032, 7059033, 7059034, 7059035 via cif-deposit CGI script.	7059031.cif