Crystallography Open Database

Information card for entry 4071715

Preview

Coordinates	4071715.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H17 Cl O Pd
Calculated formula	C11 H17 Cl O Pd
SMILES	[Pd]123(Cl)(CC(=O)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
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	8.2836 ± 0.0008 Å
b	13.7315 ± 0.0007 Å
c	19.6036 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2229.8 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0425
Weighted residual factors for all reflections included in the refinement	0.0446
Goodness-of-fit parameter for all reflections included in the refinement	0.839
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.	4071715.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071715.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071715.cif
43993	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071715 via cif-deposit CGI script.	4071715.cif