Crystallography Open Database

Information card for entry 4084935

Preview

Coordinates	4084935.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H44 Cl8 N4 O2 Pd
Calculated formula	C31 H44 Cl8 N4 O2 Pd
SMILES	c1(c(cccc1C(=O)N(C)C)C(C)C)[N]1=C(C(C)=[N]([Pd]1(Cl)Cl)c1c(cccc1C(=O)N(C)C)C(C)C)C.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
Title of publication	Hydrogen Bonding Behavior of Amide-Functionalized α-Diimine Palladium Complexes
Authors of publication	Zhai, Feng; Jordan, Richard F.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	24
Pages of publication	7176
a	20.407 ± 0.007 Å
b	11.594 ± 0.004 Å
c	17.802 ± 0.006 Å
α	90°
β	110.72 ± 0.006°
γ	90°
Cell volume	3940 ± 2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0913
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1371
Weighted residual factors for all reflections included in the refinement	0.1464
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
178738 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/49.	4084935.cif
131457	2015-02-07	cif/ Updating files of 4084931, 4084932, 4084933, 4084934, 4084935, 4084936, 4084937, 4084938 Original log message: Adding full bibliography for 4084931--4084938.cif.	4084935.cif
128443	2014-12-06	cif/ Adding structures of 4084931, 4084932, 4084933, 4084934, 4084935, 4084936, 4084937, 4084938 via cif-deposit CGI script.	4084935.cif