Crystallography Open Database

Information card for entry 1516475

Preview

Coordinates	1516475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H17.5 N0.5 O0.5 Sc0.5 Si
Calculated formula	C10 H21 N0.5 O0.5 Sc0.5 Si
Title of publication	Cationic Tropidinyl Scandium Catalyst: A Perfectly Acceptable Substitute for Cationic Half-Sandwich Scandium Catalysts incis-1,4-Polymerization of Isoprene and Copolymerization with Norbornene
Authors of publication	Liu, Siqian; Du, Gaixia; He, Jianyun; Long, Yingyun; Zhang, Shaowen; Li, Xiaofang
Journal of publication	Macromolecules
Year of publication	2014
Journal volume	47
Journal issue	11
Pages of publication	3567
a	12.865 ± 0.005 Å
b	16.159 ± 0.006 Å
c	11.71 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2434.3 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0939
Residual factor for significantly intense reflections	0.0811
Weighted residual factors for significantly intense reflections	0.1739
Weighted residual factors for all reflections included in the refinement	0.1809
Goodness-of-fit parameter for all reflections included in the refinement	1.24
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1516475.cif
119228	2014-07-05	cif/ Updating files of 1516474, 1516475, 1516476 Original log message: Adding full bibliography for 1516474--1516476.cif.	1516475.cif
115394	2014-06-03	cif/ Adding structures of 1516475 via cif-deposit CGI script.	1516475.cif