Crystallography Open Database

Information card for entry 1517763

Preview

Coordinates	1517763.cif

Structure parameters

Formula	C28 H19 N O5 P Re
Calculated formula	C28 H19 N O5 P Re
SMILES	[Re]12([O]=P(c3c([N]2=Cc2c(O1)cccc2)cccc3)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
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	9.0915 ± 0.0003 Å
b	14.2722 ± 0.0004 Å
c	18.4424 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2393.01 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0188
Residual factor for significantly intense reflections	0.0175
Weighted residual factors for significantly intense reflections	0.0364
Weighted residual factors for all reflections included in the refinement	0.0367
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
176729 (current)	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.	1517763.cif
123873	2014-09-16	cif/ Adding structures of 1517763 via cif-deposit CGI script.	1517763.cif