Crystallography Open Database

Information card for entry 7113388

Preview

Coordinates	7113388.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tryg's Zn Carbene with Benzyl Alchohol
Formula	C70 H76 N4 O4 Zn2
Calculated formula	C70 H76 N4 O4 Zn2
Title of publication	Stereoelective polymerization of D,L-lactide using N-heterocyclic carbene based compounds.
Authors of publication	Jensen, Tryg R.; Breyfogle, Laurie E.; Hillmyer, Marc A.; Tolman, William B.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2004
Journal issue	21
Pages of publication	2504 - 2505
a	13.0338 ± 0.0017 Å
b	19.045 ± 0.003 Å
c	13.3803 ± 0.0017 Å
α	90°
β	113.93 ± 0.002°
γ	90°
Cell volume	3035.9 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0416
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
180247 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/33.	7113388.cif
114617	2014-05-28	cif/ Adding structures of 7113388 via cif-deposit CGI script.	7113388.cif