Crystallography Open Database

Information card for entry 7022864

Preview

Coordinates	7022864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H27 Cl3 N2 O Pd
Calculated formula	C28 H27 Cl3 N2 O Pd
SMILES	[Pd]12([n]3c(c4c(O1)c(ccc4)c1ccccc1)cccc3C[NH]2c1c(cc(cc1C)C)C)Cl.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	9.632 ± 0.009 Å
b	11.597 ± 0.011 Å
c	13.229 ± 0.012 Å
α	90.567 ± 0.019°
β	108.415 ± 0.019°
γ	112.533 ± 0.018°
Cell volume	1280 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1526
Residual factor for significantly intense reflections	0.1151
Weighted residual factors for significantly intense reflections	0.3053
Weighted residual factors for all reflections included in the refinement	0.3219
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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.	7022864.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.	7022864.cif