Crystallography Open Database

Information card for entry 1517813

Preview

Coordinates	1517813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H33 Br Cl Co N4 O7
Calculated formula	C35 H33 Br Cl Co N4 O7
SMILES	[Co]123(Oc4c(OC)cc(Br)cc4C=[N]3c3c([N]2=C(c2ccccc2)c2c(O1)n(nc2C)c1ccc(Cl)cc1)cccc3)([OH2])OC(=O)C.CCO
Title of publication	Alternating ring-opening copolymerization of styrene oxide and maleic anhydride using asymmetrical bis-Schiff-base metal(iii) catalysts
Authors of publication	Liu, Dengfeng; Zhang, Xingmei; Zhu, Luqun; Wu, Jing; Lü, Xingqiang
Journal of publication	Catal. Sci. Technol.
Year of publication	2015
Journal volume	5
Journal issue	1
Pages of publication	562
a	12.326 ± 0.0015 Å
b	12.7391 ± 0.0015 Å
c	13.0205 ± 0.0016 Å
α	62.534 ± 0.002°
β	82.794 ± 0.002°
γ	79.008 ± 0.002°
Cell volume	1779.1 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0923
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1547
Weighted residual factors for all reflections included in the refinement	0.1834
Goodness-of-fit parameter for all reflections included in the refinement	0.878
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517813.cif
130907	2015-02-04	cif/ Updating files of 1517812, 1517813 Original log message: Adding full bibliography for 1517812--1517813.cif.	1517813.cif
124139	2014-09-24	cif/ Adding structures of 1517812, 1517813 via cif-deposit CGI script.	1517813.cif