Crystallography Open Database

Information card for entry 4514301

Preview

Coordinates	4514301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C121 H176 O12 P2 Sc2
Calculated formula	C121 H176 O12 P2 Sc2
Title of publication	Homoleptic Rare-Earth Aryloxide Based Lewis Pairs for Polymerization of Conjugated Polar Alkenes
Authors of publication	Xu, Pengfei; Xu, Xin
Journal of publication	ACS Catalysis
Year of publication	2017
Journal volume	8
Journal issue	1
Pages of publication	198
a	17.6216 ± 0.0007 Å
b	14.3906 ± 0.0005 Å
c	22.3619 ± 0.0009 Å
α	90°
β	91.6518 ± 0.0014°
γ	90°
Cell volume	5668.3 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0775
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.1567
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
206117 (current)	2018-02-04	cif/ Updating files of 4514301, 4514302 Original log message: Adding full bibliography for 4514301--4514302.cif.	4514301.cif
203885	2017-12-03	cif/ Adding structures of 4514301 via cif-deposit CGI script.	4514301.cif