#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2005708.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2005708
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    	C52
_journal_page_first    	2977
_journal_page_last    	2980
_publ_section_title    	
;
Trichlorobis[2,6-di(phenylamino)pyridinato-N,N']tantalum(V) Toluene Solvate
(1/1)
;
_chemical_formula_iupac    	'[Ta Cl3 (C17 H14 N3)2], C7 H8'
_chemical_formula_sum    	'C41 H36 Cl3 N6 Ta'
_chemical_formula_structural    	'[C34 H28 Cl3 N6 Ta][C7 H8]'
_chemical_formula_weight    	900.06
_symmetry_cell_setting    	triclinic
loop_
_symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_symmetry_space_group_name_H-M    	'P -1'
_cell_length_a    	10.572(11)
_cell_length_b    	11.070(10)
_cell_length_c    	17.109(14)
_cell_angle_alpha    	97.05(7)
_cell_angle_beta    	101.34(9)
_cell_angle_gamma    	108.38(9)
_cell_volume    	1826(3)
_cell_formula_units_Z    	2
_exptl_crystal_density_diffrn    	1.637
_cell_measurement_temperature    	193(1)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
    Ta1 1 0.21660(3) 0.76102(2) 0.244621(15) 0.0319(2)
    Cl1 1 -0.0055(2) 0.6131(2) 0.24236(14) 0.0452(5)
    Cl2 1 0.0926(2) 0.9207(2) 0.24819(12) 0.0444(5)
    Cl3 1 0.4081(2) 0.9536(2) 0.25648(13) 0.0423(5)
    N1 1 0.1210(7) 0.7285(7) 0.1086(4) 0.0362(15)
    C2 1 0.0212(9) 0.7365(8) 0.0483(5) 0.038(2)
    C3 1 0.0187(10) 0.6935(9) -0.0335(5) 0.044(2)
    H3 1 -0.0512(10) 0.6970(9) -0.0766(5) 0.067
    C4 1 0.1187(12) 0.6468(11) -0.0498(6) 0.051(2)
    H4 1 0.1188(12) 0.6211(11) -0.1048(6) 0.076
    C5 1 0.2194(11) 0.6359(9) 0.0117(5) 0.047(2)
    H5 1 0.2886(11) 0.6038(9) 0.0004(5) 0.071
    C6 1 0.2133(9) 0.6741(8) 0.0898(5) 0.037(2)
    N7 1 0.2932(7) 0.6704(7) 0.1633(4) 0.0373(15)
    C8 1 0.4068(9) 0.6280(8) 0.1649(5) 0.035(2)
    C9 1 0.5377(8) 0.7081(8) 0.2083(5) 0.037(2)
    H9 1 0.5519(8) 0.7918(8) 0.2377(5) 0.055
    C10 1 0.6498(10) 0.6650(9) 0.2089(5) 0.045(2)
    H10 1 0.7400(10) 0.7199(9) 0.2384(5) 0.068
    C11 1 0.6285(10) 0.5431(10) 0.1668(6) 0.051(2)
    H11 1 0.7041(10) 0.5140(10) 0.1676(6) 0.076
    C12 1 0.4976(11) 0.4629(9) 0.1232(6) 0.053(2)
    H12 1 0.4834(11) 0.3791(9) 0.0939(6) 0.079
    C13 1 0.3874(10) 0.5055(9) 0.1225(6) 0.046(2)
    H13 1 0.2975(10) 0.4502(9) 0.0927(6) 0.070
    N14 1 -0.0753(9) 0.7803(8) 0.0698(4) 0.046(2)
    H14 1 -0.0799(9) 0.7808(8) 0.1206(4) 0.069
    C15 1 -0.1696(10) 0.8254(9) 0.0227(5) 0.039(2)
    C16 1 -0.2893(12) 0.8173(10) 0.0459(6) 0.052(2)
    H16 1 -0.3081(12) 0.7773(10) 0.0904(6) 0.077
    C17 1 -0.3821(11) 0.8668(10) 0.0053(7) 0.054(2)
    H17 1 -0.4637(11) 0.8608(10) 0.0223(7) 0.081
    C18 1 -0.3576(11) 0.9241(9) -0.0592(6) 0.052(2)
    H18 1 -0.4213(11) 0.9588(9) -0.0866(6) 0.078
    C19 1 -0.2392(11) 0.9313(9) -0.0842(6) 0.052(2)
    H19 1 -0.2226(11) 0.9690(9) -0.1298(6) 0.078
    C20 1 -0.1447(10) 0.8837(9) -0.0430(5) 0.045(2)
    H20 1 -0.0625(10) 0.8909(9) -0.0597(5) 0.068
    N21 1 0.2713(8) 0.8276(7) 0.3813(4) 0.039(2)
    C22 1 0.2908(10) 0.9212(8) 0.4466(5) 0.041(2)
    C23 1 0.3487(11) 0.9102(9) 0.5257(5) 0.046(2)
    H23 1 0.3597(11) 0.9744(9) 0.5713(5) 0.069
    C24 1 0.3888(12) 0.8063(11) 0.5360(6) 0.050(2)
    H24 1 0.4283(12) 0.7991(11) 0.5893(6) 0.075
    C25 1 0.3731(10) 0.7097(9) 0.4698(5) 0.046(2)
    H25 1 0.3987(10) 0.6361(9) 0.4767(5) 0.069
    C26 1 0.3189(9) 0.7280(8) 0.3950(5) 0.037(2)
    N27 1 0.2961(8) 0.6561(6) 0.3180(4) 0.0373(14)
    C28 1 0.3142(10) 0.5329(8) 0.3081(5) 0.041(2)
    C29 1 0.2047(10) 0.4217(9) 0.2687(5) 0.045(2)
    H29 1 0.1157(10) 0.4263(9) 0.2507(5) 0.067
    C30 1 0.2236(12) 0.3027(10) 0.2552(6) 0.054(2)
    H30 1 0.1482(12) 0.2268(10) 0.2269(6) 0.081
    C31 1 0.3536(12) 0.2954(9) 0.2834(6) 0.053(2)
    H31 1 0.3669(12) 0.2144(9) 0.2741(6) 0.080
    C32 1 0.4647(12) 0.4076(10) 0.3253(6) 0.055(2)
    H32 1 0.5531(12) 0.4028(10) 0.3449(6) 0.083
    C33 1 0.4444(11) 0.5265(9) 0.3381(5) 0.046(2)
    H33 1 0.5188(11) 0.6027(9) 0.3672(5) 0.068
    N34 1 0.2546(9) 1.0242(7) 0.4304(4) 0.046(2)
    H34 1 0.2473(9) 1.0372(7) 0.3802(4) 0.069
    C35 1 0.2272(9) 1.1138(9) 0.4858(5) 0.042(2)
    C36 1 0.2567(11) 1.2415(9) 0.4744(6) 0.049(2)
    H36 1 0.2991(11) 1.2684(9) 0.4323(6) 0.074
    C37 1 0.2239(14) 1.3287(11) 0.5243(7) 0.058(3)
    H37 1 0.2452(14) 1.4160(11) 0.5171(7) 0.088
    C38 1 0.1599(12) 1.2893(11) 0.5851(6) 0.059(3)
    H38 1 0.1370(12) 1.3494(11) 0.6192(6) 0.089
    C39 1 0.1304(12) 1.1651(11) 0.5958(6) 0.059(3)
    H39 1 0.0864(12) 1.1386(11) 0.6374(6) 0.089
    C40 1 0.1637(10) 1.0754(10) 0.5467(6) 0.050(2)
    H40 1 0.1429(10) 0.9886(10) 0.5549(6) 0.074
    C41 1 0.0592(19) 0.6099(17) 0.5911(8) 0.102(5)
    H41A 1 -0.0087(19) 0.6395(17) 0.5591(8) 0.152
    H41B 1 0.0120(19) 0.5262(17) 0.6041(8) 0.152
    H41C 1 0.1246(19) 0.6001(17) 0.5596(8) 0.152
    C42 1 0.1359(12) 0.7089(11) 0.6693(7) 0.058(3)
    C43 1 0.1054(15) 0.8194(13) 0.6889(9) 0.075(3)
    H43 1 0.0386(15) 0.8374(13) 0.6508(9) 0.113
    C44 1 0.1686(16) 0.9034(13) 0.7614(12) 0.097(5)
    H44 1 0.1438(16) 0.9772(13) 0.7749(12) 0.145
    C45 1 0.2700(18) 0.8793(15) 0.8154(11) 0.101(5)
    H45 1 0.3170(18) 0.9380(15) 0.8658(11) 0.152
    C46 1 0.3021(16) 0.7706(14) 0.7959(10) 0.079(4)
    H46 1 0.3707(16) 0.7531(14) 0.8330(10) 0.119
    C47 1 0.2362(12) 0.6888(12) 0.7240(8) 0.059(3)
    H47 1 0.2604(12) 0.6144(12) 0.7109(8) 0.088