Crystallography Open Database

Information card for entry 1515341

Preview

Coordinates	1515341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 N4
Calculated formula	C14 H12 N4
SMILES	n1ccccc1c1nnn(c1)c1ccc(cc1)C
Title of publication	Palladium-containing polymers via a combination of RAFT and triazole chemistry
Authors of publication	Lang, Christiane; Kiefer, Claude; Lejeune, Elise; Goldmann, Anja S.; Breher, Frank; Roesky, Peter W.; Barner-Kowollik, Christopher
Journal of publication	Polymer Chemistry
Year of publication	2012
Journal volume	3
Journal issue	9
Pages of publication	2413
a	5.8594 ± 0.0012 Å
b	19.801 ± 0.004 Å
c	10.253 ± 0.002 Å
α	90°
β	97.18 ± 0.03°
γ	90°
Cell volume	1180.2 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0945
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1114
Weighted residual factors for all reflections included in the refinement	0.1242
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515341.cif
111142	2014-04-20	cif/ Adding structures of 1515341, 1515342 via cif-deposit CGI script.	1515341.cif