Crystallography Open Database

Information card for entry 4339867

Preview

Coordinates	4339867.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H42 Co N4
Calculated formula	C34 H42 Co N4
SMILES	[Co]12([N](c3c(cccc3C(C)C)C(C)C)=Cc3n2ccc3)[N](=Cc2n1ccc2)c1c(C(C)C)cccc1C(C)C
Title of publication	Synthesis and characterization of tetrahedral and square planar Bis(iminopyrrolyl) complexes of cobalt(II).
Authors of publication	Carabineiro, Sónia A; Silva, Leonel C.; Gomes, Pedro T.; Pereira, Laura C. J.; Veiros, Luís F; Pascu, Sofia I.; Duarte, M. Teresa; Namorado, Sónia; Henriques, Rui T.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	17
Pages of publication	6880 - 6890
a	10.952 ± 0.003 Å
b	16.279 ± 0.005 Å
c	18.283 ± 0.004 Å
α	84.472 ± 0.009°
β	80.667 ± 0.01°
γ	80.271 ± 0.008°
Cell volume	3162.3 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1761
Residual factor for significantly intense reflections	0.077
Weighted residual factors for significantly intense reflections	0.1713
Weighted residual factors for all reflections included in the refinement	0.2077
Goodness-of-fit parameter for all reflections included in the refinement	0.906
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179501 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/98.	4339867.cif
169182	2015-10-18	cif/4: Fixing Z values and formulae	4339867.cif
117591	2014-06-15	cif/ Adding structures of 4339866, 4339867, 4339868 via cif-deposit CGI script.	4339867.cif