Crystallography Open Database

Information card for entry 1568289

Preview

Coordinates	1568289.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H47 N2 Sc Si2
Calculated formula	C31 H47 N2 Sc Si2
Title of publication	Polymerization of α-olefins and their copolymerization with ethylene by half-sandwich scandium catalysts with an N-heterocyclic carbene ligand
Authors of publication	Wang, Yinran; Huang, Lin; Hou, Zhaomin; Guo, Fang
Journal of publication	Polymer Chemistry
Year of publication	2023
Journal volume	14
Journal issue	7
Pages of publication	828 - 838
a	10.3315 ± 0.0008 Å
b	17.5787 ± 0.0012 Å
c	18.0108 ± 0.0013 Å
α	90°
β	99.52 ± 0.002°
γ	90°
Cell volume	3226 ± 0.4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0802
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.1137
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
281611 (current)	2023-03-04	cif/ Updating files of 1568288, 1568289, 1568290 Original log message: Adding full bibliography for 1568288--1568290.cif.	1568289.cif
280413	2023-01-18	cif/ Adding structures of 1568288, 1568289, 1568290 via cif-deposit CGI script.	1568289.cif