Crystallography Open Database

Information card for entry 4022465

Preview

Coordinates	4022465.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H48 Cl2 N4 O2 Pd
Calculated formula	C32 H48 Cl2 N4 O2 Pd
Title of publication	N-Acylamidine Palladium(II) Complexes. Synthesis, Structures, and Catalytic Activity for Suzuki-Miyaura Cross-Coupling Reactions: Experiments and DFT Calculations
Authors of publication	Jan K. Eberhardt; Roland Fröhlich; Ernst-Ulrich Würthwein
Journal of publication	Journal of Organic Chemistry
Year of publication	2003
Journal volume	68
Pages of publication	6690 - 6694
a	10.716 ± 0.001 Å
b	15.786 ± 0.001 Å
c	10.911 ± 0.001 Å
α	90°
β	111.56 ± 0.01°
γ	90°
Cell volume	1716.6 ± 0.2 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	6
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	0.0332
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0625
Weighted residual factors for all reflections included in the refinement	0.066
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178403 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/23.	4022465.cif
120074	2014-07-11	Adding DOIs to range 4/02 structures.	4022465.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4022465.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4022465.cif
430	2008-07-18	Adding CIFs from the J-Org-Chem-2002-2003-2007/ deposition.	4022465.cif