Crystallography Open Database

Information card for entry 4074933

Preview

Coordinates	4074933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H38 I2 N4 O2 Pd2
Calculated formula	C26 H38 I2 N4 O2 Pd2
SMILES	[Pd]1(I)([O]=C(N(CC)CC)C[N]1(c1c([Pd]23I)cccc1)C)c1ccccc1[N]2(CC(=[O]3)N(CC)CC)C
Title of publication	A Comparative Study of the Chelating Ability of the −N(R)−(CH2)n−CO−N(R)2Framework in σ-Aryl Palladium(II) Complexes Derived from 2-Iodoanilines and 2-Iodobenzylamines. Synthesis of New Types of Terdentate [C,N,O] Pd(II) Complexes and C,N-Bridged Binuclear Pd(II) Compounds
Authors of publication	Solé, Daniel; Díaz, Sandra; Solans, Xavier; Font-Bardia, Mercè
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	8
Pages of publication	1995
a	16.08 ± 0.013 Å
b	11.373 ± 0.004 Å
c	17.164 ± 0.007 Å
α	90°
β	91.09 ± 0.05°
γ	90°
Cell volume	3138 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0618
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
178638 (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 4/07/49.	4074933.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074933.cif
48973	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074933 via cif-deposit CGI script.	4074933.cif