Crystallography Open Database

Information card for entry 7024039

Preview

Coordinates	7024039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 N2
Calculated formula	C17 H22 N2
SMILES	[nH]1c(/C=N/c2c(cccc2C(C)C)C(C)C)ccc1
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	17.197 ± 0.002 Å
b	10.603 ± 0.0011 Å
c	17.618 ± 0.0019 Å
α	90°
β	108.648 ± 0.006°
γ	90°
Cell volume	3043.8 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0994
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1316
Weighted residual factors for all reflections included in the refinement	0.1473
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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.	7024039.cif
92044	2014-01-12	cif/ Adding structures of 7024037, 7024038, 7024039, 7024040, 7024041 via cif-deposit CGI script.	7024039.cif