Crystallography Open Database

Information card for entry 7024653

Preview

Coordinates	7024653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H23 F12 N4 P3 Pd
Calculated formula	C22 H23 F12 N4 P3 Pd
SMILES	[Pd]12([P](Cc3[n]1cccc3)(Cc1[n]2cccc1)c1ccccc1)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
Title of publication	Palladium and iridium complexes with a N,P,N-bis(pyridine)phenylphosphine ligand.
Authors of publication	Liu, Shaofeng; Peloso, Riccardo; Braunstein, Pierre
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	10
Pages of publication	2563 - 2572
a	10.0969 ± 0.0005 Å
b	33.825 ± 0.0009 Å
c	8.5479 ± 0.0004 Å
α	90°
β	101.223 ± 0.002°
γ	90°
Cell volume	2863.5 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0841
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1348
Weighted residual factors for all reflections included in the refinement	0.1552
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
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
179951 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/46.	7024653.cif
92612	2014-01-12	cif/ Adding structures of 7024649, 7024650, 7024651, 7024652, 7024653, 7024654, 7024655 via cif-deposit CGI script.	7024653.cif