Tris[dimethyl (benzoyl­amido)­phosphato-κ2O,O′](1,10-phenanthroline-κ2N,N′)neodymium(III)

Kariaka, N.S.; Trush, V.A.; Medviediev, V.V.; Sliva, T.Y.; Amirkhanov, V.M.

doi:10.1107/S1600536813003462

Volume 69
Part 3
Page m143
March 2013

Received 30 January 2013
Accepted 4 February 2013
Online 9 February 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R = 0.036
wR = 0.089
Data-to-parameter ratio = 23.5
Details

Tris[dimethyl (benzoylamido)phosphato-²O,O'](1,10-phenanthroline-²N,N')neodymium(III)

Nataliia S. Kariaka,^a ^* Victor A. Trush,^a Volodymyr V. Medviediev,^b ^* Tetyana Yu. Sliva ^a and Vladimir M. Amirkhanov ^a

^aKyiv National Taras Shevchenko University, Department of Chemistry, Volodymyrska str. 64, 01601 Kyiv, Ukraine, and ^bSTC "Institute for Single Crystals", National Academy of Science of Ukraine, Lenina ave. 60, 61001 Khar'kov, Ukraine
Correspondence e-mail: natka04@i.ua, vmedvedev@xray.isc.kharkov.com

In both independent molecules of the title compound, [Nd(C₉H₁₁NO₄P)₃(C₁₂H₈N₂)], the Nd^III atom is coordinated by six O atoms belonging to three phosphoryl ligands and two N atoms of 1,10-phenanthroline in a dodecahedral geometry. In the phosphoryl ligands, the benzene rings are twisted with respect to the planes of the sp²-hybridized C atoms of the chelate rings by 12.1 (1)-24.7 (1)°.

Related literature

For the phosphoryl ligand, see: Kirsanov (1954); Derkach et al. (1960); Mizrahi & Modro (1982). For the coordinating properties of carbacylamidophosphates, see: Legendziewicz et al. (2000); Znovjyak et al. (2009). For related molecules, see: Oczko et al. (2003); Malandrino et al. (1998). For the calculation of polyhedra of lanthanide anions, see: Porai-Koshits & Aslanov (1972).

Experimental

Crystal data

[Nd(C₉H₁₁NO₄P)₃(C₁₂H₈N₂)]
M_r = 1008.92
Triclinic, $[P \overline 1]$
a = 13.0418 (4) Å
b = 17.8453 (7) Å
c = 21.8391 (9) Å
= 106.915 (3)°
= 104.977 (3)°
= 104.125 (3)°
V = 4408.5 (3) Å³
Z = 4
Mo K radiation
= 1.35 mm^-1
T = 293 K
0.3 × 0.2 × 0.1 mm

Data collection

Agilent Xcalibur Sapphire3 diffractometer
Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2012) T_min = 0.735, T_max = 1.000
52874 measured reflections
25698 independent reflections
17831 reflections with I > 2(I)
R_int = 0.022

Refinement

R[F² > 2(F²)] = 0.036
wR(F²) = 0.089
S = 1.01
25698 reflections
1093 parameters
H-atom parameters constrained
_max = 0.86 e Å^-3
_min = -0.96 e Å^-3

Data collection: CrysAlis PRO (Agilent, 2012); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: publCIF (Westrip, 2010).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: NG5315 ).

References

Agilent (2012). CrysAlis PRO. Agilent Technologies, Yarnton, England.
Derkach, G. I., Shokol, V. A. & Kirsanov, A. V. (1960). Zh. Obshch. Khim. 10, 3393-3396.
Kirsanov, A. V. (1954). Dokl. Akad. Nauk SSSR, 4, 646-655.
Legendziewicz, J., Oczko, G., Amirkhanov, V., Wiglusz, R. & Ovchynnikov, V. (2000). J. Alloys Compd, 300-301, 360-369.
Malandrino, G., Fragala, I., Aime, S., Dastru, W., Gobetto, R. & Benelli, C. (1998). J. Chem. Soc. Dalton Trans. pp. 1509-1512.
Mizrahi, V. & Modro, T. A. (1982). Cryst. Struct. Commun. 11, 627-631.
Oczko, G., Legendziewich, J., Trush, V. & Amirkhanov, V. (2003). New J. Chem. 27, 948-956.
Porai-Koshits, M. & Aslanov, L. (1972). Zh. Strukt. Khim. 13, 266-276.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.
Znovjyak, K., Moroz, O., Ovchynnikov, V., Sliva, T., Shishkina, S. & Amirkhanov, V. (2009). Polyhedron, 28, 3731-3738.

metal-organic compounds

Tris[dimethyl (benzoylamido)phosphato-2O,O'](1,10-phenanthroline-2N,N')neodymium(III)