Crystallography Open Database

Information card for entry 7024297

Preview

Coordinates	7024297.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 Cl2 F N2 Pd
Calculated formula	C21 H19 Cl2 F N2 Pd
SMILES	[Pd]1(c2cccc3ccc4ccc[n]1c4c23)(F)[n]1c(cccc1C)C.ClCCl
Title of publication	Synthesis and reactivity of palladium(II) fluoride complexes containing nitrogen-donor ligands.
Authors of publication	Ball, Nicholas D.; Kampf, Jeff W.; Sanford, Melanie S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	2
Pages of publication	632 - 640
a	13.904 ± 0.004 Å
b	11.409 ± 0.003 Å
c	14.366 ± 0.004 Å
α	90°
β	117.158 ± 0.003°
γ	90°
Cell volume	2027.6 ± 1 Å³
Cell temperature	108 ± 2 K
Ambient diffraction temperature	108 ± 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	0.0307
Residual factor for significantly intense reflections	0.0214
Weighted residual factors for significantly intense reflections	0.0508
Weighted residual factors for all reflections included in the refinement	0.0551
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
179947 (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 7/02/42.	7024297.cif
92361	2014-01-12	cif/ Adding structures of 7024293, 7024294, 7024295, 7024296, 7024297, 7024298, 7024299 via cif-deposit CGI script.	7024297.cif