Crystallography Open Database

Information card for entry 4072204

Preview

Coordinates	4072204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H27 Cl N2 O2 Pd
Calculated formula	C20 H27 Cl N2 O2 Pd
SMILES	[Pd]12(c3c(C4OC[C@@H]([N]1=4)CC(C)C)cccc3C1=[N]2[C@H](CO1)CC(C)C)Cl
Title of publication	Synthesis of [2,6-Bis(2-oxazolinyl)phenyl]palladium Complexes via the Ligand Introduction Route
Authors of publication	Kimura, Tsutomu; Uozumi, Yasuhiro
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	19
Pages of publication	5159
a	12.4126 ± 0.0011 Å
b	20.842 ± 0.002 Å
c	13.268 ± 0.002 Å
α	90°
β	117.754 ± 0.004°
γ	90°
Cell volume	3037.6 ± 0.6 Å³
Cell temperature	173.1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.036
Weighted residual factors for all reflections included in the refinement	0.045
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4072204.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072204.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072204.cif
44290	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072202, 4072203, 4072204, 4072205 via cif-deposit CGI script.	4072204.cif