Crystallography Open Database

Information card for entry 7022862

Preview

Coordinates	7022862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H49 Cl2 N2 O3 Pd
Calculated formula	C29 H26 N2 O3 Pd
SMILES	[Pd]12([N](=Cc3[n]2c(c2c(O1)c(ccc2)c1ccccc1)ccc3)c1c(cc(cc1C)C)C)OC(=O)C
Title of publication	From discrete monomeric complexes to hydrogen-bonded dimeric assemblies based on sterically encumbered square planar palladium(II) ONN-pincers.
Authors of publication	Adeyi, Okoh; Cross, Warren B.; Forrest, Gregory; Godfrey, Luke; Hope, Eric G.; McLeod, Andrew; Singh, Amandeep; Singh, Kuldip; Solan, Gregory A.; Wang, Yining; Wright, Luka A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	21
Pages of publication	7710 - 7723
a	20.075 ± 0.008 Å
b	20.075 ± 0.008 Å
c	28.842 ± 0.017 Å
α	90°
β	90°
γ	90°
Cell volume	11623 ± 9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1453
Residual factor for significantly intense reflections	0.0753
Weighted residual factors for significantly intense reflections	0.1631
Weighted residual factors for all reflections included in the refinement	0.1854
Goodness-of-fit parameter for all reflections included in the refinement	0.966
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
179933 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/28.	7022862.cif
90363	2013-11-17	cif/ Adding structures of 7022855, 7022856, 7022857, 7022858, 7022859, 7022860, 7022861, 7022862, 7022863, 7022864, 7022865 via cif-deposit CGI script.	7022862.cif