Crystallography Open Database

Information card for entry 1517762

Preview

Coordinates	1517762.cif
External links	PubChem

Structure parameters

Formula	C25 H20 N O2 P
Calculated formula	C25 H20 N O2 P
SMILES	P(=O)(c1c(/N=C/c2c(O)cccc2)cccc1)(c1ccccc1)c1ccccc1
Title of publication	Monoanionic salicylaldimine ligands with (thio)phosphoryl pendant arms: Synthesis and complexing features
Authors of publication	Diana V. Aleksanyan; Valentina Yu. Aleksenko; Yulia V. Nelyubina; Andrei A. Vasil-ev; Rinat R. Aysin; Zinaida S. Klemenkova; Vladimir A. Kozlov; Pavel V. Petrovskii; Irina L. Odinets
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	404
Pages of publication	167 - 174
a	14.488 ± 0.0005 Å
b	6.8633 ± 0.0002 Å
c	20.4926 ± 0.0007 Å
α	90°
β	98.304 ± 0.001°
γ	90°
Cell volume	2016.33 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0452
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0978
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	1
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1517762.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.	1517762.cif
123872	2014-09-16	cif/ Adding structures of 1517762 via cif-deposit CGI script.	1517762.cif