Crystallography Open Database

Information card for entry 1559986

Preview

Coordinates	1559986.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(NNTBS)Yb(THF)]2
Formula	C52 H92 Fe2 N4 O2 Si4 Yb2
Calculated formula	C52 H92 Fe2 N4 O2 Si4 Yb2
Title of publication	Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.
Authors of publication	Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.
Journal of publication	Chemical science
Year of publication	2020
Journal volume	12
Journal issue	1
Pages of publication	227 - 238
a	11.5553 ± 0.0005 Å
b	12.3812 ± 0.0006 Å
c	12.4512 ± 0.0006 Å
α	112.215 ± 0.005°
β	96.684 ± 0.004°
γ	113.262 ± 0.004°
Cell volume	1439.25 ± 0.16 Å³
Cell temperature	179.99 ± 0.1 K
Ambient diffraction temperature	179.99 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0752
Weighted residual factors for significantly intense reflections	0.1838
Weighted residual factors for all reflections included in the refinement	0.1914
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
267046 (current)	2021-07-05	cif/ Updating files of 1559984, 1559985, 1559986, 1559987, 1559988, 1559989, 1559990 Original log message: Adding full bibliography for 1559984--1559990.cif.	1559986.cif
260843	2021-01-08	cif/ Adding structures of 1559984, 1559985, 1559986, 1559987, 1559988, 1559989, 1559990 via cif-deposit CGI script.	1559986.cif