Crystallography Open Database

Information card for entry 7024652

Preview

Coordinates	7024652.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H38 B2 Cl4 F8 N4 P2 Pd
Calculated formula	C38 H38 B2 Cl4 F8 N4 P2 Pd
SMILES	[B](F)(F)(F)[F-].C1c2cccc[n]2[Pd]2([n]3c(C[P]2(Cc2ccccn2)c2ccccc2)cccc3)[P]1(Cc1ncccc1)c1ccccc1.C(Cl)Cl.[B](F)(F)(F)[F-].C(Cl)Cl
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	18.0622 ± 0.0006 Å
b	10.3296 ± 0.0003 Å
c	23.7608 ± 0.0009 Å
α	90°
β	94.187 ± 0.002°
γ	90°
Cell volume	4421.3 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0737
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.143
Weighted residual factors for all reflections included in the refinement	0.1621
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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.	7024652.cif
92612	2014-01-12	cif/ Adding structures of 7024649, 7024650, 7024651, 7024652, 7024653, 7024654, 7024655 via cif-deposit CGI script.	7024652.cif