Crystallography Open Database

Information card for entry 7006338

Preview

Coordinates	7006338.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CMC077A
Chemical name	LCo2Cl3OEt
Formula	C21 H40 Cl2 Co2 N4 O2
Calculated formula	C21 H40 Cl2 Co2 N4 O2
SMILES	[Co]123(Cl)[O]4[Co]5(Cl)([O]1CC)[N](Cc1cc(cc(c41)C[N]2(C)CC[N]3(C)C)C)(C)CC[N]5(C)C
Title of publication	Comparison of structurally analogous Zn2, Co2, and Mg2 catalysts for the polymerization of cyclic esters.
Authors of publication	Breyfogle, Laurie E.; Williams, Charlotte K.; Young, Jr, Victor G; Hillmyer, Marc A.; Tolman, William B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	7
Pages of publication	928 - 936
a	14.0961 ± 0.0015 Å
b	11.4544 ± 0.0014 Å
c	16.2755 ± 0.0015 Å
α	90°
β	106.145 ± 0.005°
γ	90°
Cell volume	2524.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.029
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0654
Weighted residual factors for all reflections included in the refinement	0.0668
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.55 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179767 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/63.	7006338.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006338.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006338.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7006338.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006338.cif