Crystallography Open Database

Information card for entry 4071713

Preview

Coordinates	4071713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 F3 N3 O5 Pd S
Calculated formula	C22.001 H28 F3.003 N3 O5.003 Pd S1.001
Title of publication	New Acetonyl Palladium(II) Complexes
Authors of publication	Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	15
Pages of publication	3978
a	14.0831 ± 0.0012 Å
b	11.5607 ± 0.0011 Å
c	16.9448 ± 0.0014 Å
α	90°
β	112.467 ± 0.004°
γ	90°
Cell volume	2549.4 ± 0.4 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	7
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	0.0401
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0857
Weighted residual factors for all reflections included in the refinement	0.091
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178606 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/17.	4071713.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071713.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071713.cif
43991	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071713 via cif-deposit CGI script.	4071713.cif