Crystallography Open Database

Information card for entry 4339720

Preview

Coordinates	4339720.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	5
Chemical name	[Pd(CH3Im(CH3Py)2Cl](PF6)
Formula	C20 H22 Cl F6 N6 P Pd
Calculated formula	C20 H22 Cl F6 N6 P Pd
SMILES	[Pd]1(=C2N(C=CN2c2[n]1cccc2C)C)(Cl)=C1N(C=CN1c1ncccc1C)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Preparation of Au(I), Ag(I), and Pd(II) N-heterocyclic carbene complexes utilizing a methylpyridyl-substituted NHC ligand. formation of a luminescent coordination polymer.
Authors of publication	Catalano, Vincent J.; Etogo, Anthony O.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	14
Pages of publication	5608 - 5615
a	12.4099 ± 0.0005 Å
b	15.5311 ± 0.0006 Å
c	12.5353 ± 0.0005 Å
α	90°
β	104.921 ± 0.001°
γ	90°
Cell volume	2334.58 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0213
Residual factor for significantly intense reflections	0.0203
Weighted residual factors for significantly intense reflections	0.054
Weighted residual factors for all reflections included in the refinement	0.0546
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
179500 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/97.	4339720.cif
117500	2014-06-15	cif/ Adding structures of 4339716, 4339717, 4339718, 4339719, 4339720 via cif-deposit CGI script.	4339720.cif