data_2007137 _journal_name_full 'Acta Crystallographica' _journal_year 1998 _journal_volume C54 _journal_page_first 523 _journal_page_last 525 _publ_section_title ; P,P-Dichloro-N-(dichlorophosphinoyl)- P-(diisopropylamino)monophosphazene ; loop_ _publ_author_name 'H\"okelek*, Tuncer' 'K\?il\?i\,c, Zeynel' 'Dal, Hakan' _chemical_formula_moiety 'C6 H14 Cl4 N2 O P2' _chemical_formula_sum 'C6 H14 Cl4 N2 O P2' _chemical_formula_weight 333.949 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/n' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x+1/2,y+1/2,-z+1/2' _cell_length_a 10.8018(9) _cell_length_b 12.5581(9) _cell_length_c 10.9691(9) _cell_angle_alpha 90 _cell_angle_beta 91.052(7) _cell_angle_gamma 90 _cell_volume 1487.7(2) _cell_formula_units_Z 4 _cell_measurement_temperature 298 _exptl_crystal_density_diffrn 1.491 _refine_ls_R_factor_obs .045 _refine_ls_wR_factor_obs .063 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Cl1 .71300(10) .14040(10) .65020(10) .1117(3) Cl2 .72080(10) -.04158(9) .83960(10) .1161(3) Cl3 .96128(8) .33895(8) .93788(8) .0777(2) Cl4 .94757(9) .13989(8) 1.10145(9) .0809(2) P1 .80567(7) .09388(6) .79903(7) .04970(10) P2 .83753(6) .23434(6) 1.00192(7) .04740(10) O1 .9340(2) .0727(2) .7719(2) .0702(5) N1 .7675(2) .1766(3) .8981(3) .0713(6) N2 .7465(2) .2961(2) 1.0903(2) .0497(5) C1 .8008(3) .3562(3) 1.1955(3) .0667(7) C2 .7771(5) .4751(3) 1.1815(4) .10400(10) C3 .7528(4) .3136(4) 1.3152(3) .08750(10) C4 .6093(3) .3046(3) 1.0688(3) .0506(6) C5 .5448(3) .1987(3) 1.0819(3) .0718(8) C6 .5750(4) .3609(3) .9494(3) .0753(8) H1 .901(3) .345(2) 1.196(3) .0621(7) H4 .584(3) .348(2) 1.135(2) .0469(6) H21 .813 .512 1.249 .1141 H22 .813 .500 1.108 .1141 H23 .691 .488 1.178 .1141 H31 .789 .352 1.382 .1002 H32 .665 .322 1.316 .1002 H33 .773 .240 1.323 .1002 H51 .459 .210 1.066 .0925 H52 .576 .149 1.025 .0925 H53 .556 .171 1.162 .0925 H61 .487 .362 .943 .1014 H62 .605 .432 .950 .1014 H63 .608 .324 .882 .1014 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Cl1 .1293(8) .1321(9) .0720(5) .0416(7) -.0350(6) -.0145(6) Cl2 .1261(8) .0822(6) .1412(9) -.0469(5) .0366(7) -.0047(7) Cl3 .0634(4) .0978(6) .0723(5) -.0184(4) .0191(4) .0039(5) Cl4 .0769(5) .0866(6) .0789(5) .0297(4) -.0041(5) .0088(5) P1 .0478(4) .0517(4) .0495(4) -.0032(3) .0049(3) -.0096(3) P2 .0382(3) .0569(4) .0471(4) .0009(3) .0020(3) -.0075(3) O1 .0610(10) .0760(10) .0740(10) .0070(10) .0180(10) -.0100(10) N1 .0480(10) .094(2) .0720(10) .0060(10) -.0040(10) -.0410(10) N2 .0420(10) .0570(10) .0500(10) -.0030(10) .0030(10) -.0160(10) C1 .059(2) .080(2) .060(2) -.009(2) .0030(10) -.027(2) C2 .130(4) .080(2) .104(3) -.032(2) .013(3) -.038(2) C3 .088(3) .124(3) .051(2) .001(3) -.005(2) -.014(2) C4 .0420(10) .058(2) .0520(10) .0050(10) .0090(10) -.0030(10) C5 .049(2) .083(2) .083(2) -.014(2) .011(2) .004(2) C6 .072(2) .079(2) .075(2) .022(2) -.002(2) .013(2) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Cl1 P1 . . 1.9870(10) yes Cl2 P1 . . 1.9890(10) yes Cl3 P2 . . 2.0120(10) yes Cl4 P2 . . 1.9910(10) yes P1 O1 . . 1.449(2) yes P1 N1 . . 1.564(3) yes P2 N1 . . 1.537(3) yes P2 N2 . . 1.596(2) yes N2 C1 . . 1.489(4) yes N2 C4 . . 1.502(3) yes C1 C2 . . 1.523(5) yes C1 C3 . . 1.517(5) yes C4 C5 . . 1.510(5) yes C4 C6 . . 1.528(5) yes C1 H1 . . 1.09(3) no C2 H21 . . .950 no C2 H22 . . .950 no C2 H23 . . .950 no C3 H31 . . .950 no C3 H32 . . .950 no C3 H33 . . .950 no C4 H4 . . .95(3) no C5 H51 . . .950 no C5 H52 . . .950 no C5 H53 . . .950 no C6 H61 . . .950 no C6 H62 . . .950 no C6 H63 . . .950 no