Crystallography Open Database

Information card for entry 4074288

Preview

Coordinates	4074288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H21 B Cl F4 N5 O Pd
Calculated formula	C14 H21 B Cl F4 N5 O Pd
Title of publication	Silver(I) and Palladium(II) Complexes of an Ether-Functionalized Quasi-pincer Bis-carbene Ligand and Its Alkyl Analogue
Authors of publication	Nielsen, David J.; Cavell, Kingsley J.; Skelton, Brian W.; White, Allan H.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	20
Pages of publication	4850
a	11.685 ± 0.0009 Å
b	11.8826 ± 0.0009 Å
c	13.559 ± 0.001 Å
α	90°
β	93.115 ± 0.002°
γ	90°
Cell volume	1879.9 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
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	0.07
Residual factor for significantly intense reflections	0.036
Weighted residual factors for all reflections	0.039
Weighted residual factors for all reflections included in the refinement	0.034
Goodness-of-fit parameter for all reflections	0.947
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4074288.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074288.cif
48287	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074286, 4074287, 4074288 via cif-deposit CGI script.	4074288.cif