Crystallography Open Database

Information card for entry 7024299

Preview

Coordinates	7024299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H21 Cl2 F N2 Pd
Calculated formula	C13 H21 Cl2 F N2 Pd
SMILES	[Pd]12(F)[N](Cc3cccc(c23)C[N]1(C)C)(C)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	8.4407 ± 0.0006 Å
b	9.5451 ± 0.0006 Å
c	11.5693 ± 0.0008 Å
α	105.314 ± 0.001°
β	95.629 ± 0.001°
γ	116.01 ± 0.001°
Cell volume	782.97 ± 0.09 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.015
Residual factor for significantly intense reflections	0.0147
Weighted residual factors for significantly intense reflections	0.0386
Weighted residual factors for all reflections included in the refinement	0.0387
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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.	7024299.cif
92361	2014-01-12	cif/ Adding structures of 7024293, 7024294, 7024295, 7024296, 7024297, 7024298, 7024299 via cif-deposit CGI script.	7024299.cif