Crystallography Open Database

Information card for entry 4085181

Preview

Coordinates	4085181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H42 N O Sc Si2
Calculated formula	C26 H42 N O Sc Si2
SMILES	[Sc]1234([O]5CCCC5)(C[Si](C)(C)C)(C[Si](C)(C)C)[cH]5[c]1([cH]2[c]13[c]45n(cc1)c1ccccc1)C
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	23.532 ± 0.002 Å
b	15.3966 ± 0.0015 Å
c	19.1942 ± 0.0018 Å
α	90°
β	124.436 ± 0.002°
γ	90°
Cell volume	5735.6 ± 0.9 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1133
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.138
Weighted residual factors for all reflections included in the refinement	0.1656
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
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.	4085181.cif
130766	2015-02-04	cif/ Updating files of 4085181, 4085182, 4085183 Original log message: Adding full bibliography for 4085181--4085183.cif.	4085181.cif
129928	2015-01-17	cif/ Adding structures of 4085181, 4085182, 4085183 via cif-deposit CGI script.	4085181.cif