Crystallography Open Database

Information card for entry 4327392

Preview

Structure parameters

Formula	C19 H18 N4 O3
Calculated formula	C19 H18 N4 O3
SMILES	n1cc(ccc1)NC(=O)c1cc(ccc1)C(=O)Nc1cccnc1.OC
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	8.3883 ± 0.0002 Å
b	8.5081 ± 0.0002 Å
c	13.3648 ± 0.0004 Å
α	99.594 ± 0.001°
β	106.214 ± 0.001°
γ	104.78 ± 0.001°
Cell volume	856.02 ± 0.04 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0831
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.1167
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4327392.cif
179376	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.	4327392.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327392.cif
61163	2012-06-25	cif/ Adding structures of 4327392 via cif-deposit CGI script.	4327392.cif