Crystallography Open Database

Information card for entry 7218941

Preview

Coordinates	7218941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 Cl Mn N4 O3
Calculated formula	C32 H27 Cl Mn N4 O3
SMILES	[Mn]123(Cl)([N](=C(c4c(C)nn(c5ccccc5)c4O2)c2ccccc2)c2ccccc2[N]1=Cc1ccccc1O3)[OH]CC
Title of publication	Ring-opening copolymerization of epoxides and anhydrides using manganese(III) asymmetrical Schiff base complexes as catalysts
Authors of publication	Liu, Dengfeng; Zhu, Luqun; Wu, Jing; Wu, Liying; Lü, Xingqiang
Journal of publication	RSC Adv.
Year of publication	2014
a	34.592 ± 0.01 Å
b	6.88 ± 0.002 Å
c	24.471 ± 0.007 Å
α	90°
β	102.024 ± 0.006°
γ	90°
Cell volume	5696 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.1736
Residual factor for significantly intense reflections	0.0773
Weighted residual factors for significantly intense reflections	0.1777
Weighted residual factors for all reflections included in the refinement	0.259
Goodness-of-fit parameter for all reflections included in the refinement	0.957
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
180520 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/89.	7218941.cif
127974	2014-11-28	cif/ Adding structures of 7218941 via cif-deposit CGI script.	7218941.cif