Crystallography Open Database

Information card for entry 1513883

Preview

Coordinates	1513883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H29.5 B2 Co F8 N6 O0.5
Calculated formula	C38 H29.5 B2 Co F8 N6 O0.5
Title of publication	Synthesis of cationic cobalt(II) complexes and their efficiency as catalysts for the polymerization of 1,3-butadiene
Authors of publication	Liu, Li; Zhang, Xu; Liu, Heng; Zhang, Xuequan; Sun, Guangping; Zhang, Hexin
Journal of publication	Inorganica Chimica Acta
Year of publication	2014
Journal volume	414
Pages of publication	8 - 14
a	11.1961 ± 0.001 Å
b	12.9138 ± 0.0011 Å
c	14.3453 ± 0.0012 Å
α	81.2415 ± 0.0015°
β	75.9587 ± 0.0017°
γ	68.5142 ± 0.0015°
Cell volume	1867.7 ± 0.3 Å³
Cell temperature	188 ± 2 K
Ambient diffraction temperature	188 ± 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	0.0917
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1808
Weighted residual factors for all reflections included in the refinement	0.203
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1513883.cif
107533	2014-03-20	cif/ Adding structures of 1513883 via cif-deposit CGI script.	1513883.cif