Crystallography Open Database

Information card for entry 7054777

Preview

Coordinates	7054777.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H52 Lu N O Si3
Calculated formula	C31 H52 Lu N O Si3
SMILES	[Lu]1([N]2(CCCC2)[Si](C12c1ccccc1c1ccccc21)(C)C)([O]1CCCC1)(C[Si](C)(C)C)C[Si](C)(C)C
Title of publication	Rare-earth metal bis(alkyl) complexes bearing pyrrolidinyl-functionalized cyclopentadienyl, indenyl and fluorenyl ligands: synthesis, characterization and the ligand effect on isoprene polymerization
Authors of publication	Deng, Meng; Chi, Shuhui; Luo, Yunjie
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	10
Pages of publication	7575
a	10.0861 ± 0.0005 Å
b	11.1647 ± 0.0006 Å
c	30.639 ± 0.002 Å
α	90°
β	96.377 ± 0.005°
γ	90°
Cell volume	3428.9 ± 0.3 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0874
Residual factor for significantly intense reflections	0.0741
Weighted residual factors for significantly intense reflections	0.2001
Weighted residual factors for all reflections included in the refinement	0.2048
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
180101 (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 7/05/47.	7054777.cif
162023	2015-10-09	cif/ Updating files of 7054775, 7054776, 7054777 Original log message: Adding full bibliography for 7054775--7054777.cif.	7054777.cif
134483	2015-03-28	cif/ Adding structures of 7054775, 7054776, 7054777 via cif-deposit CGI script.	7054777.cif