Crystallography Open Database

Information card for entry 4085306

Preview

Coordinates	4085306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H132 K4 N4 O9.5
Calculated formula	C92 H108 K4 N4 O8
Title of publication	Metal and Ligand-Substituent Effects in the Immortal Polymerization ofrac-Lactide with Li, Na, and K Phenoxo-imine Complexes
Authors of publication	García-Valle, Francisco M.; Estivill, Robert; Gallegos, Carlos; Cuenca, Tomás; Mosquera, Marta E. G.; Tabernero, Vanessa; Cano, Jesús
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	2
Pages of publication	477
a	28.535 ± 0.004 Å
b	16.268 ± 0.012 Å
c	46.622 ± 0.018 Å
α	90°
β	105.472 ± 0.018°
γ	90°
Cell volume	20858 ± 18 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.2333
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for significantly intense reflections	0.1907
Weighted residual factors for all reflections included in the refinement	0.236
Goodness-of-fit parameter for all reflections included in the refinement	0.793
Diffraction radiation probe	x-ray
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4085306.cif
130776	2015-02-04	cif/ Updating files of 4085301, 4085302, 4085303, 4085304, 4085305, 4085306 Original log message: Adding full bibliography for 4085301--4085306.cif.	4085306.cif
129948	2015-01-17	cif/ Adding structures of 4085301, 4085302, 4085303, 4085304, 4085305, 4085306 via cif-deposit CGI script.	4085306.cif