Crystallography Open Database

Information card for entry 4085182

Preview

Coordinates	4085182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.06 H43.17 O S Sc Si2
Calculated formula	C27.058 H43.174 O S Sc Si2
Title of publication	Synthesis of Heterocyclic-Fused Cyclopentadienyl Scandium Complexes and the Catalysis for Copolymerization of Ethylene and Dicyclopentadiene
Authors of publication	Chen, Runhai; Yao, Changguang; Wang, Meiyan; Xie, Hongyan; Wu, Chunji; Cui, Dongmei
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	2
Pages of publication	455
a	10.0876 ± 0.0006 Å
b	16.3094 ± 0.001 Å
c	10.1794 ± 0.0006 Å
α	90°
β	114.794 ± 0.001°
γ	90°
Cell volume	1520.37 ± 0.16 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1037
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
178740 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/51.	4085182.cif
130766	2015-02-04	cif/ Updating files of 4085181, 4085182, 4085183 Original log message: Adding full bibliography for 4085181--4085183.cif.	4085182.cif
129928	2015-01-17	cif/ Adding structures of 4085181, 4085182, 4085183 via cif-deposit CGI script.	4085182.cif