Crystallography Open Database

Information card for entry 7702339

Preview

Coordinates	7702339.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H21 Cl3 I2 N4 Pd S6
Calculated formula	C3.325 H5 Cl0.375 I0.25 N Pd0.125 S1.25
Title of publication	Synthesis, X-ray crystal structure and spectroscopic characterization of the new dithiolene [Pd(Et2timdt)2] and of its adduct with molecular diiodine [Pd(Et2timdt)2]·I2·CHCl3 (Et2timdt = monoanion of 1,3-diethylimidazolidine-2,4,5-trithione)
Authors of publication	Arca, Massimiliano; Demartin, Francesco; Devillanova, Francesco A.; Garau, Alessandra; Isaia, Francesco; Lelj, Francesco; Lippolis, Vito; Pedraglio, Samuele; Verani, Gaetano
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1998
Journal issue	22
Pages of publication	3731
a	21.724 ± 0.009 Å
b	12.901 ± 0.004 Å
c	11.004 ± 0.006 Å
α	90 ± 0°
β	102.83 ± 0.04°
γ	90 ± 0°
Cell volume	3007 ± 2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	7
Space group number	6
Hermann-Mauguin space group symbol	P 1 m 1
Hall space group symbol	P -2y
Residual factor for all reflections	0.304
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.064
Goodness-of-fit parameter for all reflections	1.254
Goodness-of-fit parameter for significantly intense reflections	1.913
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288193 (current)	2023-12-08	cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9828. This change affected only the misspelt variants of the '_exptl_absorpt_process_details' data name.	7702339.cif
243830	2019-11-28	cif/ Adding structures of 7702338, 7702339 via cif-deposit CGI script.	7702339.cif