Crystallography Open Database

Information card for entry 7035079

Preview

Coordinates	7035079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H28 Cl2 N4 O3 Pd S2
Calculated formula	C14 H24 Cl2 N4 O2 Pd S2
SMILES	[Pd]123(Cl)[S]=c4n(ccn4C[CH]2=[CH]3Cn2c(=[S]1)n(cc2)C)C.[Cl-].OC.CO
Title of publication	Synthesis of a new type of alkene metal complex using face-capping thione-alkene ligands.
Authors of publication	Zhang, Long; Yan, Tao; Han, Ying-Feng; Hahn, F. Ekkehardt; Jin, Guo-Xin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	19
Pages of publication	8797 - 8800
a	15.409 ± 0.002 Å
b	7.4204 ± 0.001 Å
c	20.302 ± 0.003 Å
α	90°
β	100.341 ± 0.002°
γ	90°
Cell volume	2283.6 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0427
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
138729 (current)	2015-06-07	cif/ Updating files of 7035074, 7035075, 7035076, 7035077, 7035078, 7035079, 7035080 Original log message: Adding full bibliography for 7035074--7035080.cif.	7035079.cif
135933	2015-05-09	cif/ Adding structures of 7035074, 7035075, 7035076, 7035077, 7035078, 7035079, 7035080 via cif-deposit CGI script.	7035079.cif