Crystallography Open Database

Information card for entry 4341236

Preview

Coordinates	4341236.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H36 Co F20 N
Calculated formula	C40 H36 Co F20 N
SMILES	[N+](CCCC)(CCCC)(CCCC)CCCC.c1(c(c(c(c(c1F)F)F)F)F)[Co](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
Title of publication	Homoleptic Organocobalt(III) Compounds with Intermediate Spin
Authors of publication	García-Monforte, M. Angeles; Ara, Irene; Martín, Antonio; Menjón, Babil; Tomás, Milagros; Alonso, Pablo J.; Arauzo, Ana B.; Martínez, Jesús I.; Rillo, Conrado
Journal of publication	Inorganic Chemistry
Year of publication	2014
Pages of publication	141006123300006
a	18.0482 ± 0.0013 Å
b	18.0482 ± 0.0013 Å
c	12.2439 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3988.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0328
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0675
Weighted residual factors for all reflections included in the refinement	0.0693
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
179515 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/12.	4341236.cif
125003	2014-10-07	cif/ Adding structures of 4341236 via cif-deposit CGI script.	4341236.cif