Crystallography Open Database

Information card for entry 1513884

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Structure parameters

Formula	C31 H31 B2 Co F8 N8
Calculated formula	C31 H31 B2 Co F8 N8
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	10.3908 ± 0.0008 Å
b	10.6832 ± 0.0009 Å
c	19.3985 ± 0.0016 Å
α	87.055 ± 0.001°
β	75.488 ± 0.001°
γ	71.841 ± 0.001°
Cell volume	1980 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1532
Weighted residual factors for all reflections included in the refinement	0.1612
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1513884.cif
176729	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.	1513884.cif
107576	2014-03-20	cif/ Adding structures of 1513884 via cif-deposit CGI script.	1513884.cif