Crystallography Open Database

Information card for entry 1545301

Preview

Coordinates	1545301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H52 Cl4 Co2 N8 O P2
Calculated formula	C48 H51 Cl4 Co2 N8 O P2
SMILES	[Co]1234([P](c5ccccc5)([N]c5[n]2c(n2[n]3c(cc2C)C)ccc5)c2ccccc2)[P](Nc2[n]4c(n3[n]1c(cc3C)C)ccc2)(c1ccccc1)c1ccccc1.[Co](Cl)(Cl)([Cl-])[Cl-].C(OCC)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	15.231 ± 0.002 Å
b	15.231 Å
c	20.271 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4702.5 ± 0.9 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.111
Weighted residual factors for all reflections included in the refinement	0.1213
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	1545301.cif
192407	2017-02-21	cif/ Adding structures of 1545298, 1545299, 1545300, 1545301 via cif-deposit CGI script.	1545301.cif