Crystallography Open Database

Information card for entry 7022858

Preview

Coordinates	7022858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H36 Cl2 N2 O3 Pd
Calculated formula	C33 H36 Cl2 N2 O3 Pd
SMILES	[Pd]12(Oc3c(cccc3c3ccccc3)c3[n]1c(ccc3)C[NH]2c1c(cccc1C(C)C)C(C)C)OC(=O)C.C(Cl)Cl
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	13.471 ± 0.003 Å
b	14.913 ± 0.003 Å
c	16.595 ± 0.004 Å
α	90°
β	108.732 ± 0.004°
γ	90°
Cell volume	3157.2 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1428
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.0905
Weighted residual factors for all reflections included in the refinement	0.107
Goodness-of-fit parameter for all reflections included in the refinement	0.86
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.	7022858.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.	7022858.cif