Crystallography Open Database

Information card for entry 4347145

Preview

Coordinates	4347145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H78 Cl Er Li N3 O3 Si6
Calculated formula	C30 H78 Cl Er Li N3 O3 Si6
SMILES	[Er]([Cl][Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
Title of publication	Elucidating the Magnetic Anisotropy and Relaxation Dynamics of Low-Coordinate Lanthanide Compounds.
Authors of publication	Zhang, Peng; Jung, Julie; Zhang, Li; Tang, Jinkui; Le Guennic, Boris
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	4
Pages of publication	1905 - 1911
a	36.585 ± 0.002 Å
b	16.1129 ± 0.0009 Å
c	25.0947 ± 0.0014 Å
α	90°
β	131.621 ± 0.001°
γ	90°
Cell volume	11058.6 ± 1.1 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0785
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1926
Weighted residual factors for all reflections included in the refinement	0.2164
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
232184 (current)	2019-11-23	cif/ Adding structures of 4347144, 4347145 via cif-deposit CGI script.	4347145.cif