Crystallography Open Database

Information card for entry 1517986

Preview

Coordinates	1517986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H21 N O4 P2 S2
Calculated formula	C24 H21 N O4 P2 S2
SMILES	S=P(Oc1ccccc1)(Oc1ccccc1)NP(=S)(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	9.718 ± 0.002 Å
b	14.942 ± 0.003 Å
c	18.242 ± 0.003 Å
α	88.62 ± 0.02°
β	82.93 ± 0.02°
γ	72.26 ± 0.02°
Cell volume	2503.5 ± 0.9 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.066
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.	1517986.cif
189760	2017-01-03	cif/1/51/79/ (antanas@echidna.ibt.lt) Updating bibliography in entry 1517985, 1517986.	1517986.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.	1517986.cif
125309	2014-10-13	cif/ Adding structures of 1517986 via cif-deposit CGI script.	1517986.cif