Crystallography Open Database

Information card for entry 4349460

Preview

Coordinates	4349460.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H23 B Er N
Calculated formula	C17 H23 B Er N
SMILES	[Er]123456789%10%11([CH]%12=[CH]7[CH]6=[CH]5[CH]4=[CH]3[CH]2=[CH]1%12)[CH]1C8[CH]9=[CH]%10B([CH]=1%11)N(CC)CC
Title of publication	(Boratabenzene)(cyclooctatetraenyl) lanthanide complexes: a new type of organometallic single-ion magnet
Authors of publication	Meng, Yin-Shan; Wang, Chun-Hong; Zhang, Yi-Quan; Leng, Xue-Bing; Wang, Bing-Wu; Chen, Yao-Feng; Gao, Song
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	6
Pages of publication	828
a	17.008 ± 0.004 Å
b	8.486 ± 0.002 Å
c	11.489 ± 0.003 Å
α	90°
β	101.257 ± 0.004°
γ	90°
Cell volume	1626.3 ± 0.7 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
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	0.0494
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1419
Weighted residual factors for all reflections included in the refinement	0.149
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
234793 (current)	2019-11-23	cif/ Adding structures of 4349458, 4349459, 4349460, 4349461, 4349462, 4349463, 4349464 via cif-deposit CGI script.	4349460.cif