Crystallography Open Database

Information card for entry 4077967

Preview

Coordinates	4077967.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H34 Cl2 N2 O4 Pt
Calculated formula	C26 H34 Cl2 N2 O4 Pt
SMILES	C(OCC=C)c1[n]([Pt]([n]2c(COCC=C)cccc2COCC=C)(Cl)Cl)c(COCC=C)ccc1
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	21.404 ± 0.0003 Å
b	8.8892 ± 0.0002 Å
c	14.5045 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2759.69 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0712
Weighted residual factors for all reflections included in the refinement	0.0748
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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.	4077967.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077967.cif
57648	2012-05-18	cif/ Adding structures of 4077966, 4077967, 4077968, 4077969, 4077970, 4077971, 4077972, 4077973 via cif-deposit CGI script.	4077967.cif