Crystallography Open Database

Information card for entry 4327391

Preview

Coordinates	4327391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 N4 O2
Calculated formula	C18 H14 N4 O2
SMILES	c1ccc(cn1)NC(=O)c1cccc(C(=O)Nc2cccnc2)c1
Title of publication	Macrocyclic and Lantern Complexes of Palladium(II) with Bis(amidopyridine) Ligands: Synthesis, Structure, and Host-Guest Chemistry
Authors of publication	Nancy L. S. Yue; Dana J. Eisler; Michael C. Jennings; Richard J. Puddephatt
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7671 - 7681
a	10.7731 ± 0.0002 Å
b	12.9777 ± 0.0003 Å
c	11.7216 ± 0.0003 Å
α	90°
β	103.439 ± 0.002°
γ	90°
Cell volume	1593.92 ± 0.06 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
179376 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/73.	4327391.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327391.cif
61162	2012-06-25	cif/ Adding structures of 4327391 via cif-deposit CGI script.	4327391.cif