Crystallography Open Database

Information card for entry 4074935

Preview

Coordinates	4074935.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H21 I N2 O Pd
Calculated formula	C18 H21 I N2 O Pd
SMILES	[Pd]12(I)[O]=C(N(C)C)C[N]1(Cc1c2cccc1)Cc1ccccc1
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	9.418 ± 0.004 Å
b	12.549 ± 0.004 Å
c	15.614 ± 0.005 Å
α	90°
β	94.89°
γ	90°
Cell volume	1838.6 ± 1.1 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.0931
Goodness-of-fit parameter for all reflections included in the refinement	1.305
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.	4074935.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074935.cif
48975	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074935 via cif-deposit CGI script.	4074935.cif