Crystallography Open Database

Information card for entry 4068716

Preview

Coordinates	4068716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H47 N3 O11 Pd3
Calculated formula	C31 H47 N3 O11 Pd3
SMILES	[Pd]12(OC(=CC(=[O]1)C)C)=C1N(C(=[Pd]3(OC(=CC(=[O]3)C)C)CC3=[O][Pd]4([O]=C(C2)C=C(O4)C)OC(=C3)C)N(N1C)C)C.O=C(C)C.O=C(C)C.O
Title of publication	Palladium Complexes with Triazolyldiylidene. Structural Features and Catalytic Applications
Authors of publication	Zanardi, Alessandro; Mata, José A.; Peris, Eduardo
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	5
Pages of publication	1480
a	14.854 ± 0.002 Å
b	13.0012 ± 0.0018 Å
c	20.665 ± 0.003 Å
α	90°
β	104.379 ± 0.003°
γ	90°
Cell volume	3865.8 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.139
Residual factor for significantly intense reflections	0.0804
Weighted residual factors for significantly intense reflections	0.2047
Weighted residual factors for all reflections included in the refinement	0.2394
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation probe	x-ray
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
178577 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/87.	4068716.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068716.cif
39941	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068716 via cif-deposit CGI script.	4068716.cif