Crystallography Open Database

Information card for entry 1545299

Preview

Coordinates	1545299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H24 Cl2 Co N5 O2 P
Calculated formula	C23 H24 Cl2 Co N5 O2 P
SMILES	[Co]12(Cl)(Cl)[n]3n(c4cccc(NP(c5ccccc5)(c5ccccc5)=[O]2)[n]14)ccc3.O=CN(C)C
Title of publication	Controlled polymerization of isoprene promoted by a type of hemilabile XPN3 (X = O, S) ligand supported cobalt(ii) complexes: the role of a hemilabile donor on the level of control
Authors of publication	Chen, Huafeng; Pan, Weijing; Huang, Kuo-Wei; Zhang, Xuequan; Gong, Dirong
Journal of publication	Polym. Chem.
Year of publication	2017
Journal volume	8
Journal issue	11
Pages of publication	1805
a	7.881 ± 0.002 Å
b	8.61 ± 0.002 Å
c	10.582 ± 0.003 Å
α	101.612 ± 0.003°
β	110.925 ± 0.002°
γ	103.559 ± 0.002°
Cell volume	619 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0315
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.082
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
195192 (current)	2017-04-05	cif/ Updating files of 1545298, 1545299, 1545300, 1545301 Original log message: Adding full bibliography for 1545298--1545301.cif.	1545299.cif
192407	2017-02-21	cif/ Adding structures of 1545298, 1545299, 1545300, 1545301 via cif-deposit CGI script.	1545299.cif