Crystallography Open Database

Information card for entry 4071714

Preview

Coordinates	4071714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H23 Cl N2 O Pd
Calculated formula	C20 H23 Cl N2 O Pd
SMILES	[Pd]1([n]2c(c3[n]1cccc3)cccc2)(Cl)[C@H]1[C@H]2C[C@@H]([C@H]1CC(=O)C)CC2.[Pd]1([n]2c(c3[n]1cccc3)cccc2)(Cl)[C@@H]1[C@@H]2C[C@H]([C@@H]1CC(=O)C)CC2
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	7.956 ± 0.005 Å
b	9.98 ± 0.005 Å
c	12.514 ± 0.005 Å
α	97.255 ± 0.005°
β	105.519 ± 0.005°
γ	103.746 ± 0.005°
Cell volume	910.6 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0223
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0577
Weighted residual factors for all reflections included in the refinement	0.0582
Goodness-of-fit parameter for all reflections included in the refinement	1.127
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
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.	4071714.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071714.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071714.cif
43992	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071714 via cif-deposit CGI script.	4071714.cif