Crystallography Open Database

Information card for entry 1543587

Preview

Coordinates	1543587.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H34 N2 O2 P2
Calculated formula	C36 H34 N2 O2 P2
SMILES	P(c1ccccc1)(c1ccccc1)CCNC(=O)c1ccccc1C(=O)NCCP(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	11.8968 ± 0.0009 Å
b	27.634 ± 0.002 Å
c	9.5537 ± 0.0008 Å
α	90°
β	98.554 ± 0.005°
γ	90°
Cell volume	3105.9 ± 0.4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
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	0.1149
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1309
Weighted residual factors for all reflections included in the refinement	0.153
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
211137 (current)	2018-09-24	cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433.	1543587.cif
184106	2016-07-01	cif/ Adding structures of 1543587 via cif-deposit CGI script.	1543587.cif