Crystallography Open Database

Information card for entry 4077966

Preview

Coordinates	4077966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H30 Cl2 N2 Pd
Calculated formula	C22 H30 Cl2 N2 Pd
SMILES	C1CCCCc2cccc3CCCCCCc4cccc([n]4[Pd](Cl)(Cl)[n]23)C1
Title of publication	Gyroscope-Like Platinum and Palladium Complexes with Trans-Spanning Bis(pyridine) Ligands
Authors of publication	Zeits, Paul D.; Rachiero, Giovanni Pietro; Hampel, Frank; Reibenspies, Joseph H.; Gladysz, John A.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	7
Pages of publication	2854
a	8.3927 ± 0.0002 Å
b	11.1631 ± 0.0003 Å
c	10.8626 ± 0.0002 Å
α	90°
β	91.922 ± 0.002°
γ	90°
Cell volume	1017.13 ± 0.04 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0246
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0616
Weighted residual factors for all reflections included in the refinement	0.0639
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
178668 (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 4/07/79.	4077966.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077966.cif
57648	2012-05-18	cif/ Adding structures of 4077966, 4077967, 4077968, 4077969, 4077970, 4077971, 4077972, 4077973 via cif-deposit CGI script.	4077966.cif