Crystallography Open Database

Information card for entry 7706020

Preview

Coordinates	7706020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H42 Fe N2 Sc
Calculated formula	C40 H42 Fe N2 Sc
Title of publication	Redox-controlled syndio-specific polymerization of styrene catalyzed by ferrocenyl functionalized half-sandwich scandium complexes.
Authors of publication	Zhong, Yi; Li, Min; Deng, Meng; Gong, Mingliang; Xie, Hongzhen; Luo, Yunjie
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	1
Pages of publication	346 - 354
a	10.615 ± 0.002 Å
b	17.576 ± 0.004 Å
c	20.199 ± 0.004 Å
α	90°
β	90.71 ± 0.03°
γ	90°
Cell volume	3768.2 ± 1.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.1073
Residual factor for significantly intense reflections	0.085
Weighted residual factors for significantly intense reflections	0.2406
Weighted residual factors for all reflections included in the refinement	0.264
Goodness-of-fit parameter for all reflections included in the refinement	1.243
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
261645 (current)	2021-02-05	cif/ Updating files of 7706020 Original log message: Adding full bibliography for 7706020.cif.	7706020.cif
259801	2020-12-11	cif/ Adding structures of 7706020 via cif-deposit CGI script.	7706020.cif