Crystallography Open Database

Information card for entry 1543586

Preview

Coordinates	1543586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 N O2.13 P
Calculated formula	C22 H18 N O2.129 P
SMILES	P(CCN1C(=O)c2c(C1=O)cccc2)(c1ccccc1)c1ccccc1.P(=O)(CCN1C(=O)c2c(C1=O)cccc2)(c1ccccc1)c1ccccc1
Title of publication	Supramolecular chemistry of the ligand N,N'-bis(2-diphenylphosphinoethyl)phthalamide and its complexes with gold(I) and silver(I)
Authors of publication	Nasser Nasser; Richard J. Puddephatt
Journal of publication	Inorganica Chimica Acta
Year of publication	2014
Pages of publication	238 - 243
a	9.364 ± 0.002 Å
b	10.099 ± 0.002 Å
c	11.111 ± 0.003 Å
α	63.414 ± 0.009°
β	76.315 ± 0.01°
γ	71.406 ± 0.011°
Cell volume	885.1 ± 0.4 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0715
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1218
Weighted residual factors for all reflections included in the refinement	0.1363
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
211137 (current)	2018-09-24	cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433.	1543586.cif
184105	2016-07-01	cif/ Adding structures of 1543586 via cif-deposit CGI script.	1543586.cif