Crystallography Open Database

Information card for entry 1517985

Preview

Coordinates	1517985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H40 N2 O8 P4 Pd S4
Calculated formula	C48 H40 N2 O8 P4 Pd S4
SMILES	[Pd]12([S]=P(Oc3ccccc3)(Oc3ccccc3)N=P(S1)(Oc1ccccc1)Oc1ccccc1)[S]=P(Oc1ccccc1)(Oc1ccccc1)N=P(S2)(Oc1ccccc1)Oc1ccccc1
Title of publication	The tretraphenylester of the μ-imido-dithiodiphosphoric acid and its palladium complex - crystal structures
Authors of publication	Nouaman, Moein; Žak, Zdirad; Herrmann, Eckhard; Navrátil, Oldřich
Journal of publication	Zeitschrift fuer Anorganische und Allgemeine Chemie
Year of publication	1993
Journal volume	619
Pages of publication	1147 - 1153
a	10.687 ± 0.002 Å
b	15.302 ± 0.003 Å
c	15.207 ± 0.003 Å
α	90°
β	101.84 ± 0.02°
γ	90°
Cell volume	2433.9 ± 0.8 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.067
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
189761 (current)	2017-01-03	cif/1/51/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entries 1517985, 1517986.	1517985.cif
189760	2017-01-03	cif/1/51/79/ (antanas@echidna.ibt.lt) Updating bibliography in entry 1517985, 1517986.	1517985.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517985.cif
125308	2014-10-13	cif/ Adding structures of 1517985 via cif-deposit CGI script.	1517985.cif