Crystallography Open Database

Information card for entry 1514892

Preview

Coordinates	1514892.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H19 N7
Calculated formula	C23 H19 N7
SMILES	Cc1ccc(cc1)n1nnc(c1)c1cccc(n1)c1nnn(c1)c1ccc(cc1)C
Title of publication	Consecutive modular ligation as an access route to palladium containing polymers
Authors of publication	Lang, Christiane; Pahnke, Kai; Kiefer, Claude; Goldmann, Anja S.; Roesky, Peter W.; Barner-Kowollik, Christopher
Journal of publication	Polymer Chemistry
Year of publication	2013
Journal volume	4
Journal issue	21
Pages of publication	5456
a	6.1133 ± 0.0009 Å
b	6.1133 ± 0.0009 Å
c	52.627 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	1966.8 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200.15 K
Number of distinct elements	3
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0775
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0648
Weighted residual factors for all reflections included in the refinement	0.0742
Goodness-of-fit parameter for all reflections included in the refinement	0.899
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1514892.cif
129586	2015-01-13	cif/1 Fixing Z values and formulae for several entries	1514892.cif
110397	2014-04-18	cif/ Adding structures of 1514892, 1514893 via cif-deposit CGI script.	1514892.cif