Crystallography Open Database

Information card for entry 7053070

Preview

Coordinates	7053070.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H36 N Si Y
Calculated formula	C21 H36 N Si Y
SMILES	[Y]123456789([N]%10([Si]([c]%111[c]2([c]3([c]4([c]5%11C)C)C)C)(C)C)CCCC%10)([CH2]=[CH]6C7)[CH2]=[CH]8C9
Title of publication	Half-sandwich rare-earth-metal derivatives bearing pyrrolidinyl-functionalized cyclopentadienyl ligand: synthesis, characterization and catalysis in syndiospecific polymerization of styrene
Authors of publication	Luo, Yunjie; Chi, Shuhui; Chen, Jue
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	9
Pages of publication	2675
a	27.0591 ± 0.0011 Å
b	9.9549 ± 0.0003 Å
c	17.3059 ± 0.0007 Å
α	90°
β	112.102 ± 0.005°
γ	90°
Cell volume	4319.1 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0515
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0803
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180084 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/30.	7053070.cif
87710	2013-08-27	cif/ Adding structures of 7053069, 7053070, 7053071, 7053072, 7053073, 7053074 via cif-deposit CGI script.	7053070.cif