Crystallography Open Database

Information card for entry 7024037

Preview

Coordinates	7024037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H10 N2
Calculated formula	C11 H10 N2
SMILES	[nH]1cccc1/C=N/c1ccccc1
Title of publication	Sodium complexes containing 2-iminopyrrolyl ligands: the influence of steric hindrance in the formation of coordination polymers.
Authors of publication	Gomes, Clara S. B.; Suresh, D.; Gomes, Pedro T.; Veiros, Luis F.; Duarte, M. Teresa; Nunes, Teresa G.; Oliveira, M Conceição
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	3
Pages of publication	736 - 748
a	9.449 ± 0.0014 Å
b	18.186 ± 0.003 Å
c	21.204 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3643.7 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0684
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation probe	x-ray
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
179945 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/40.	7024037.cif
92044	2014-01-12	cif/ Adding structures of 7024037, 7024038, 7024039, 7024040, 7024041 via cif-deposit CGI script.	7024037.cif