Crystallography Open Database

Information card for entry 4349462

Preview

Coordinates	4349462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 B Dy
Calculated formula	C14 H16 B Dy
SMILES	[Dy]123456789%10%11([CH]%12C1[CH]2=[CH]3B([CH]%11=%12)C)[CH]1=[CH]4[CH]5=[CH]6[CH]7=[CH]8[CH]9=[CH]%101
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	12.4412 ± 0.0012 Å
b	8.863 ± 0.0008 Å
c	11.6155 ± 0.0011 Å
α	90°
β	97.989 ± 0.001°
γ	90°
Cell volume	1268.4 ± 0.2 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	4
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	0.0187
Residual factor for significantly intense reflections	0.0157
Weighted residual factors for significantly intense reflections	0.0383
Weighted residual factors for all reflections included in the refinement	0.0393
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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.	4349462.cif