Crystallography Open Database

Information card for entry 4070952

Preview

Coordinates	4070952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H17 Cl N2 O Pd
Calculated formula	C18 H17 Cl N2 O Pd
SMILES	[Pd]1(N(C(=CC(=[N]1c1ccccc1)C)C)c1ccccc1)(Cl)C#[O]
Title of publication	Synthesis, Characterization, and Reactivity of a Versatile Dinuclear Palladium β-Diiminate Complex
Authors of publication	Hadzovic, Alen; Song, Datong
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	6
Pages of publication	1290
a	9.3629 ± 0.0005 Å
b	10.1302 ± 0.0006 Å
c	20.1619 ± 0.0012 Å
α	97.107 ± 0.004°
β	93.707 ± 0.003°
γ	114.448 ± 0.003°
Cell volume	1713.21 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0813
Residual factor for significantly intense reflections	0.0681
Weighted residual factors for significantly intense reflections	0.1776
Weighted residual factors for all reflections included in the refinement	0.1906
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
178598 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/09.	4070952.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070952.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070952.cif
42897	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070950, 4070951, 4070952, 4070953, 4070954 via cif-deposit CGI script.	4070952.cif