Crystallography Open Database

Information card for entry 4339866

Preview

Coordinates	4339866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 N2
Calculated formula	C18 H24 N2
SMILES	[nH]1cccc1C(=N\c1c(cccc1C(C)C)C(C)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	8.7397 ± 0.0002 Å
b	11.514 ± 0.0002 Å
c	17.0729 ± 0.0004 Å
α	84.1779 ± 0.0008°
β	77.7817 ± 0.0009°
γ	71.7589 ± 0.0015°
Cell volume	1593.59 ± 0.06 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0741
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for all reflections	0.0811
Weighted residual factors for significantly intense reflections	0.0635
Weighted residual factors for all reflections included in the refinement	0.0635
Goodness-of-fit parameter for all reflections included in the refinement	1.0091
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
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.	4339866.cif
117591	2014-06-15	cif/ Adding structures of 4339866, 4339867, 4339868 via cif-deposit CGI script.	4339866.cif