Crystallography Open Database

Information card for entry 4315197

Preview

Coordinates	4315197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H28 Cl2 N4 Pd
Calculated formula	C14 H28 Cl2 N4 Pd
SMILES	[Pd](=C1N(CCN1CC)CC)(Cl)(Cl)=C1N(CCN1CC)CC
Title of publication	Biscarbene Palladium(II) Complexes. Reactivity of Saturated Versus Unsaturated N-Heterocyclic Carbenes
Authors of publication	Ching-Feng Fu; Chun-Chin Lee; Yi-Hung Liu; Shie-Ming Peng; Stefan Warsink; Cornelis J. Elsevier; Jwu-Ting Chen; Shiuh-Tzung Liu
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	3011 - 3018
a	17.817 ± 0.0003 Å
b	8.345 ± 0.0001 Å
c	12.542 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1864.78 ± 0.05 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0817
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.1485
Weighted residual factors for all reflections included in the refinement	0.1555
Goodness-of-fit parameter for all reflections included in the refinement	1.229
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
179231 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/51.	4315197.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315197.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315197.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4315197.cif
8340	2011-02-04	../uploads/cif-deposit/cod/cif Adding structures of 4315197 via cif-deposit CGI script.	4315197.cif