Crystallography Open Database

Information card for entry 2234493

Preview

Coordinates	2234493.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(acetato-κ<i>O</i>)(di-2-pyridylamine- κ^2^<i>N</i>^2^,<i>N</i>^2'^)palladium(II)
Formula	C14 H15 N3 O4 Pd
Calculated formula	C14 H15 N3 O4 Pd
SMILES	[Pd]1([n]2c(Nc3[n]1cccc3)cccc2)(OC(=O)C)OC(=O)C
Title of publication	Bis(acetato-κ<i>O</i>)(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)palladium(II)
Authors of publication	Ha, Kwang
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	4
Pages of publication	m502
a	8.565 ± 0.003 Å
b	12.245 ± 0.005 Å
c	14.23 ± 0.005 Å
α	90°
β	95.406 ± 0.008°
γ	90°
Cell volume	1485.8 ± 1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
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	0.0926
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.1164
Goodness-of-fit parameter for all reflections included in the refinement	0.922
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2234493.cif
120072	2014-07-11	Adding DOIs to range 2 structures.	2234493.cif
55771	2012-05-05	cif/ Adding structures of 2234493 via cif-deposit CGI script.	2234493.cif