##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
                                             
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common     ?
_chemical_formula_moiety     'C25 H18 Cl2 N5 O6 P3'
_chemical_formula_sum     'C25 H18 Cl2 N5 O6 P3'
_chemical_formula_iupac     'C25 H18 Cl2 N5 O6 P3'
_chemical_formula_weight     648.25
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     9.9482(10)
_cell_length_b     11.2184(10)
_cell_length_c     12.8536(10)
_cell_angle_alpha     97.702(7)
_cell_angle_beta     105.515(7)
_cell_angle_gamma     94.503(7)
_cell_volume     1359.9(2)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     25
_cell_measurement_theta_min     10
_cell_measurement_theta_max     11
_cell_measurement_temperature     293(2)
_exptl_crystal_description     rod-shaped
_exptl_crystal_colour     colorless
_exptl_crystal_size_max      .30
_exptl_crystal_size_mid      .15
_exptl_crystal_size_min      .15
_exptl_crystal_density_diffrn     1.583
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     660
_exptl_absorpt_coefficient_mu      .467
_exptl_absorpt_correction_type     refdelf
_exptl_absorpt_process_details     '(Walker & Stuart, 1983)'
_exptl_absorpt_correction_T_min      .873
_exptl_absorpt_correction_T_max      .933
_exptl_special_details
;
The dihedral angles between the phenyl ring planes [A(C1-C6), B(C8-C13),
C(C14-C19), D(C20-C25)] are A/B = 86.6(1), A/C = 42.1(1), A/D = 87.7(1),
B/C = 69.0(1), B/D = 12.1(1) and C/D =80.2(1)°.
;
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength      .71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Enraf-Nonius CAD-4'
_diffrn_measurement_method     'non-profiled ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     5465
_diffrn_reflns_av_R_equivalents      .000
_diffrn_reflns_av_sigmaI/netI      .029
_diffrn_reflns_theta_min     2.14
_diffrn_reflns_theta_max     26.29
_diffrn_reflns_theta_full     26.3
_diffrn_measured_fraction_theta_max     1.00
_diffrn_measured_fraction_theta_full     1.00
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -13
_diffrn_reflns_limit_k_max     13
_diffrn_reflns_limit_l_min     0
_diffrn_reflns_limit_l_max     16
_diffrn_standards_number     3
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     120
_diffrn_standards_decay_%     3
_refine_special_details
;
Refinement of F² against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F² are statistically about twice as large as those based on F, and
R-factors based on ALL data will be even larger.
;
_reflns_number_total     5465
_reflns_number_gt     4666
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all      .0919
_refine_ls_R_factor_gt      .0666
_refine_ls_wR_factor_ref      .2579
_refine_ls_goodness_of_fit_ref     1.215
_refine_ls_restrained_S_all     1.215
_refine_ls_number_reflns     5465
_refine_ls_number_parameters     378
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
               'calc w = 1/[σ²(Fo²)+(0.20P)²] where P = (Fo²+2Fc²)/3'
_refine_ls_shift/su_max     <0.001
_refine_ls_shift/su_mean      .000
_refine_diff_density_max     1.28
_refine_diff_density_min     -1.28
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C'  .0033  .0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H'  .0000  .0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cl' 'Cl'  .1484  .1585
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N'  .0061  .0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O'  .0106  .0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'P' 'P'  .1023  .0942
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CAD-4 EXPRESS (Enraf-Nonius, 1994)'
_computing_cell_refinement     'CAD-4 EXPRESS'
_computing_data_reduction     'XCAD4 (Harms & Wocadlo, 1995)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material     'WinGX (Farrugia, 1999)'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    _atom_site_type_symbol
    Cl1  -.00104(9)  -.06640(7)  .20570(8)  .0416(3) Uani d . 1 . . Cl
    Cl2  .10545(10)  .22777(10)  .59595(7)  .0502(3) Uani d . 1 . . Cl
    P1  .33519(7)  .23358(7)  .35573(6)  .0280(3) Uani d . 1 . . P
    P2  .11364(8)  .26001(8)  .44888(6)  .0310(3) Uani d . 1 . . P
    P3  .07091(7)  .10904(7)  .25471(6)  .0277(3) Uani d . 1 . . P
    O1  -.0084(2)  .1688(2)  .15326(19)  .0324(5) Uani d . 1 . . O
    O6  .0324(2)  .3780(2)  .44544(18)  .0356(5) Uani d . 1 . . O
    N1  .2701(3)  .2927(3)  .4495(2)  .0351(6) Uani d . 1 . . N
    N2  .0210(3)  .1519(3)  .3594(2)  .0328(6) Uani d . 1 . . N
    N3  .2316(3)  .1299(3)  .2633(2)  .0319(6) Uani d . 1 . . N
    N4  -.5676(3)  .1429(4)  -.0954(3)  .0553(9) Uani d . 1 . . N
    O2  -.6381(3)  .2160(4)  -.0684(4)  .0881(13) Uani d . 1 . . O
    O3  -.6110(4)  .0623(5)  -.1717(4)  .1136(19) Uani d . 1 . . O
    N5  .0581(4)  .6352(3)  .1066(3)  .0534(9) Uani d . 1 . . N
    O4  -.0478(4)  .6306(4)  .0303(3)  .0798(11) Uani d . 1 . . O
    O5  .1709(4)  .6903(4)  .1127(4)  .0822(12) Uani d . 1 . . O
    C1  -.1530(3)  .1569(3)  .0995(3)  .0300(7) Uani d . 1 . . C
    C2  -.2397(3)  .2341(3)  .1380(3)  .0315(7) Uani d . 1 . . C
    C3  -.3779(3)  .2261(3)  .0707(3)  .0373(7) Uani d . 1 . . C
    H3  -.4401  .2756  .0915  .045 Uiso calc R 1 . . H
    C4  -.4217(3)  .1458(3)  -.0253(3)  .0381(8) Uani d . 1 . . C
    C5  -.3364(4)  .0674(3)  -.0610(3)  .0411(8) Uani d . 1 . . C
    H5  -.3697  .0121  -.1254  .049 Uiso calc R 1 . . H
    C6  -.1988(3)  .0755(3)  .0042(3)  .0369(7) Uani d . 1 . . C
    H6  -.1374  .0253  -.0169  .044 Uiso calc R 1 . . H
    C7  -.1968(3)  .3207(3)  .2451(3)  .0343(7) Uani d . 1 . . C
    C8  -.0712(3)  .4141(3)  .2616(3)  .0319(7) Uani d . 1 . . C
    C9  -.0640(4)  .4816(3)  .1789(3)  .0390(8) Uani d . 1 . . C
    H9  -.1348  .4684  .1131  .047 Uiso calc R 1 . . H
    C10  .0494(4)  .5680(3)  .1963(3)  .0399(8) Uani d . 1 . . C
    C11  .1549(4)  .5952(3)  .2931(3)  .0419(8) Uani d . 1 . . C
    H11  .2293  .6549  .3022  .050 Uiso calc R 1 . . H
    C12  .1472(4)  .5314(3)  .3761(3)  .0410(8) Uani d . 1 . . C
    H12  .2161  .5482  .4430  .049 Uiso calc R 1 . . H
    C13  .0352(3)  .4416(3)  .3588(3)  .0318(7) Uani d . 1 . . C
    C14  .4929(3)  .1756(3)  .4228(3)  .0317(7) Uani d . 1 . . C
    C15  .5250(4)  .1669(3)  .5331(3)  .0378(7) Uani d . 1 . . C
    H15  .4657  .1936  .5739  .045 Uiso calc R 1 . . H
    C16  .6454(4)  .1184(4)  .5826(3)  .0494(10) Uani d . 1 . . C
    H16  .6665  .1115  .6564  .059 Uiso calc R 1 . . H
    C17  .7342(4)  .0801(3)  .5211(4)  .0453(9) Uani d . 1 . . C
    H17  .8164  .0497  .5546  .054 Uiso calc R 1 . . H
    C18  .7021(4)  .0866(4)  .4113(4)  .0501(10) Uani d . 1 . . C
    H18  .7615  .0592  .3708  .060 Uiso calc R 1 . . H
    C19  .5815(3)  .1338(3)  .3607(3)  .0400(8) Uani d . 1 . . C
    H19  .5593  .1378  .2864  .048 Uiso calc R 1 . . H
    C20  .3899(3)  .3516(3)  .2879(3)  .0316(7) Uani d . 1 . . C
    C21  .4966(4)  .4433(3)  .3478(3)  .0399(8) Uani d . 1 . . C
    H21  .5401  .4423  .4213  .048 Uiso calc R 1 . . H
    C22  .5367(5)  .5352(4)  .2969(4)  .0545(10) Uani d . 1 . . C
    H22  .6064  .5973  .3365  .065 Uiso calc R 1 . . H
    C23  .4730(5)  .5349(4)  .1867(4)  .0562(11) Uani d . 1 . . C
    H23  .5015  .5961  .1523  .067 Uiso calc R 1 . . H
    C24  .3696(5)  .4462(4)  .1290(4)  .0538(10) Uani d . 1 . . C
    H24  .3269  .4473  .0554  .065 Uiso calc R 1 . . H
    C25  .3266(4)  .3539(3)  .1784(3)  .0391(8) Uani d . 1 . . C
    H25  .2554  .2934  .1382  .047 Uiso calc R 1 . . H
    H71  -.271(4)  .377(3)  .254(3)  .034(9) Uiso d . 1 . . H
    H72  -.168(4)  .285(4)  .314(4)  .043(11) Uiso d . 1 . . H
_geom_special_details
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Cl1 P3 . 1.9970(12) yes
    Cl2 P2 . 1.9930(12) yes
    P1 N1 . 1.607(3) yes
    P1 N3 . 1.617(3) yes
    P1 C14 . 1.792(3) yes
    P1 C20 . 1.806(3) yes
    P2 N1 . 1.568(3) yes
    P2 N2 . 1.589(3) yes
    P2 O6 . 1.604(2) yes
    P3 N3 . 1.569(2) yes
    P3 N2 . 1.585(3) yes
    P3 O1 . 1.594(2) yes
    O1 C1 . 1.407(4) yes
    O6 C13 . 1.405(4) yes
    N4 O2 . 1.195(5) ?
    N4 O3 . 1.201(5) ?
    N4 C4 . 1.485(4) ?
    N5 O5 . 1.217(5) ?
    N5 O4 . 1.225(5) ?
    N5 C10 . 1.476(5) ?
    C1 C6 . 1.370(5) ?
    C1 C2 . 1.404(4) ?
    C2 C3 . 1.403(4) ?
    C2 C7 . 1.512(5) ?
    C3 C4 . 1.371(5) ?
    C3 H3 .  .9300 ?
    C4 C5 . 1.385(5) ?
    C5 C6 . 1.390(5) ?
    C5 H5 .  .9300 ?
    C6 H6 .  .9300 ?
    C7 C8 . 1.516(5) ?
    C7 H71 . 1.02(4) ?
    C7 H72 . 1.00(4) ?
    C8 C13 . 1.384(5) ?
    C8 C9 . 1.399(5) ?
    C9 C10 . 1.377(5) ?
    C9 H9 .  .9300 ?
    C10 C11 . 1.375(5) ?
    C11 C12 . 1.377(5) ?
    C11 H11 .  .9300 ?
    C12 C13 . 1.392(5) ?
    C12 H12 .  .9300 ?
    C14 C15 . 1.386(5) ?
    C14 C19 . 1.405(5) ?
    C15 C16 . 1.387(5) ?
    C15 H15 .  .9300 ?
    C16 C17 . 1.391(6) ?
    C16 H16 .  .9300 ?
    C17 C18 . 1.374(6) ?
    C17 H17 .  .9300 ?
    C18 C19 . 1.384(5) ?
    C18 H18 .  .9300 ?
    C19 H19 .  .9300 ?
    C20 C25 . 1.384(5) ?
    C20 C21 . 1.398(5) ?
    C21 C22 . 1.381(5) ?
    C21 H21 .  .9300 ?
    C22 C23 . 1.388(7) ?
    C22 H22 .  .9300 ?
    C23 C24 . 1.354(7) ?
    C23 H23 .  .9300 ?
    C24 C25 . 1.382(5) ?
    C24 H24 .  .9300 ?
    C25 H25 .  .9300 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    N1 P1 N3 . . 115.58(14) yes
    N1 P1 C14 . . 107.18(15) yes
    N3 P1 C14 . . 110.77(14) yes
    N1 P1 C20 . . 109.11(15) yes
    N3 P1 C20 . . 107.95(15) yes
    C14 P1 C20 . . 105.82(14) yes
    N1 P2 N2 . . 118.13(15) yes
    N1 P2 O6 . . 110.74(15) yes
    N2 P2 O6 . . 109.57(13) yes
    N1 P2 Cl2 . . 110.16(12) yes
    N2 P2 Cl2 . . 108.42(11) yes
    O6 P2 Cl2 . . 97.92(9) yes
    N3 P3 N2 . . 118.71(15) yes
    N3 P3 O1 . . 106.37(13) yes
    N2 P3 O1 . . 111.16(13) yes
    N3 P3 Cl1 . . 110.07(11) yes
    N2 P3 Cl1 . . 106.87(11) yes
    O1 P3 Cl1 . . 102.49(10) yes
    C1 O1 P3 . . 128.84(19) yes
    C13 O6 P2 . . 115.58(19) yes
    P2 N1 P1 . . 123.14(19) yes
    P3 N2 P2 . . 118.80(16) yes
    P3 N3 P1 . . 120.64(17) yes
    O2 N4 O3 . . 123.7(4) ?
    O2 N4 C4 . . 118.2(4) ?
    O3 N4 C4 . . 118.0(4) ?
    O5 N5 O4 . . 124.1(4) ?
    O5 N5 C10 . . 117.7(4) ?
    O4 N5 C10 . . 118.2(4) ?
    C6 C1 C2 . . 123.2(3) ?
    C6 C1 O1 . . 116.3(3) ?
    C2 C1 O1 . . 120.2(3) ?
    C3 C2 C1 . . 115.8(3) ?
    C3 C2 C7 . . 118.8(3) ?
    C1 C2 C7 . . 125.4(3) ?
    C4 C3 C2 . . 120.4(3) ?
    C4 C3 H3 . . 119.8 ?
    C2 C3 H3 . . 119.8 ?
    C3 C4 C5 . . 123.4(3) ?
    C3 C4 N4 . . 118.5(3) ?
    C5 C4 N4 . . 118.2(3) ?
    C4 C5 C6 . . 116.8(3) ?
    C4 C5 H5 . . 121.6 ?
    C6 C5 H5 . . 121.6 ?
    C1 C6 C5 . . 120.4(3) ?
    C1 C6 H6 . . 119.8 ?
    C5 C6 H6 . . 119.8 ?
    C2 C7 C8 . . 116.0(3) ?
    C2 C7 H71 . . 113(2) ?
    C8 C7 H71 . . 100(2) ?
    C2 C7 H72 . . 118(2) ?
    C8 C7 H72 . . 101(2) ?
    H71 C7 H72 . . 107(3) ?
    C13 C8 C9 . . 117.3(3) ?
    C13 C8 C7 . . 122.6(3) ?
    C9 C8 C7 . . 119.9(3) ?
    C10 C9 C8 . . 119.1(3) ?
    C10 C9 H9 . . 120.5 ?
    C8 C9 H9 . . 120.5 ?
    C11 C10 C9 . . 123.4(3) ?
    C11 C10 N5 . . 118.2(3) ?
    C9 C10 N5 . . 118.4(4) ?
    C10 C11 C12 . . 118.1(3) ?
    C10 C11 H11 . . 121.0 ?
    C12 C11 H11 . . 121.0 ?
    C11 C12 C13 . . 119.2(3) ?
    C11 C12 H12 . . 120.4 ?
    C13 C12 H12 . . 120.4 ?
    C8 C13 C12 . . 122.8(3) ?
    C8 C13 O6 . . 119.9(3) ?
    C12 C13 O6 . . 117.3(3) ?
    C15 C14 C19 . . 119.9(3) ?
    C15 C14 P1 . . 121.0(3) ?
    C19 C14 P1 . . 119.0(3) ?
    C14 C15 C16 . . 120.1(4) ?
    C14 C15 H15 . . 119.9 ?
    C16 C15 H15 . . 119.9 ?
    C15 C16 C17 . . 119.4(4) ?
    C15 C16 H16 . . 120.3 ?
    C17 C16 H16 . . 120.3 ?
    C18 C17 C16 . . 120.8(3) ?
    C18 C17 H17 . . 119.6 ?
    C16 C17 H17 . . 119.6 ?
    C17 C18 C19 . . 120.2(4) ?
    C17 C18 H18 . . 119.9 ?
    C19 C18 H18 . . 119.9 ?
    C18 C19 C14 . . 119.4(4) ?
    C18 C19 H19 . . 120.3 ?
    C14 C19 H19 . . 120.3 ?
    C25 C20 C21 . . 119.6(3) ?
    C25 C20 P1 . . 121.2(3) ?
    C21 C20 P1 . . 119.2(3) ?
    C22 C21 C20 . . 119.5(4) ?
    C22 C21 H21 . . 120.3 ?
    C20 C21 H21 . . 120.3 ?
    C21 C22 C23 . . 119.9(4) ?
    C21 C22 H22 . . 120.0 ?
    C23 C22 H22 . . 120.0 ?
    C24 C23 C22 . . 120.4(4) ?
    C24 C23 H23 . . 119.8 ?
    C22 C23 H23 . . 119.8 ?
    C23 C24 C25 . . 120.7(4) ?
    C23 C24 H24 . . 119.6 ?
    C25 C24 H24 . . 119.6 ?
    C24 C25 C20 . . 119.9(3) ?
    C24 C25 H25 . . 120.1 ?
    C20 C25 H25 . . 120.1 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    N3 P3 O1 C1 . . . . 167.7(3) ?
    N2 P3 O1 C1 . . . . -61.7(3) ?
    Cl1 P3 O1 C1 . . . . 52.2(3) ?
    N1 P2 O6 C13 . . . . 55.1(3) ?
    N2 P2 O6 C13 . . . . -76.9(3) ?
    Cl2 P2 O6 C13 . . . . 170.3(2) ?
    N2 P2 N1 P1 . . . . 7.7(3) ?
    O6 P2 N1 P1 . . . . -119.7(2) ?
    Cl2 P2 N1 P1 . . . . 133.03(18) ?
    N3 P1 N1 P2 . . . . -4.0(3) ?
    C14 P1 N1 P2 . . . . -128.1(2) ?
    C20 P1 N1 P2 . . . . 117.8(2) ?
    N3 P3 N2 P2 . . . . 26.2(3) ?
    O1 P3 N2 P2 . . . . -97.58(19) ?
    Cl1 P3 N2 P2 . . . . 151.34(15) ?
    N1 P2 N2 P3 . . . . -18.6(3) ?
    O6 P2 N2 P3 . . . . 109.47(18) ?
    Cl2 P2 N2 P3 . . . . -144.72(15) ?
    N2 P3 N3 P1 . . . . -22.9(3) ?
    O1 P3 N3 P1 . . . . 103.29(19) ?
    Cl1 P3 N3 P1 . . . . -146.39(15) ?
    N1 P1 N3 P3 . . . . 11.5(3) ?
    C14 P1 N3 P3 . . . . 133.65(18) ?
    C20 P1 N3 P3 . . . . -110.93(19) ?
    P3 O1 C1 C6 . . . . -98.9(3) ?
    P3 O1 C1 C2 . . . . 87.0(3) ?
    C6 C1 C2 C3 . . . . -1.9(5) ?
    O1 C1 C2 C3 . . . . 171.7(3) ?
    C6 C1 C2 C7 . . . . 176.6(3) ?
    O1 C1 C2 C7 . . . . -9.8(5) ?
    C1 C2 C3 C4 . . . .  .7(5) ?
    C7 C2 C3 C4 . . . . -177.9(3) ?
    C2 C3 C4 C5 . . . . 1.3(5) ?
    C2 C3 C4 N4 . . . . -178.3(3) ?
    O2 N4 C4 C3 . . . . 4.5(6) ?
    O3 N4 C4 C3 . . . . -170.5(5) ?
    O2 N4 C4 C5 . . . . -175.1(4) ?
    O3 N4 C4 C5 . . . . 9.9(7) ?
    C3 C4 C5 C6 . . . . -2.0(6) ?
    N4 C4 C5 C6 . . . . 177.6(3) ?
    C2 C1 C6 C5 . . . . 1.2(5) ?
    O1 C1 C6 C5 . . . . -172.7(3) ?
    C4 C5 C6 C1 . . . .  .8(5) ?
    C3 C2 C7 C8 . . . . -123.8(3) ?
    C1 C2 C7 C8 . . . . 57.7(4) ?
    C2 C7 C8 C13 . . . . -135.8(3) ?
    C2 C7 C8 C9 . . . . 48.2(4) ?
    C13 C8 C9 C10 . . . . 2.3(5) ?
    C7 C8 C9 C10 . . . . 178.5(3) ?
    C8 C9 C10 C11 . . . . -2.5(6) ?
    C8 C9 C10 N5 . . . . 177.7(3) ?
    O5 N5 C10 C11 . . . . 16.4(6) ?
    O4 N5 C10 C11 . . . . -164.6(4) ?
    O5 N5 C10 C9 . . . . -163.8(4) ?
    O4 N5 C10 C9 . . . . 15.2(6) ?
    C9 C10 C11 C12 . . . .  .8(6) ?
    N5 C10 C11 C12 . . . . -179.3(3) ?
    C10 C11 C12 C13 . . . .  .9(5) ?
    C9 C8 C13 C12 . . . .  -.6(5) ?
    C7 C8 C13 C12 . . . . -176.7(3) ?
    C9 C8 C13 O6 . . . . 179.0(3) ?
    C7 C8 C13 O6 . . . . 2.9(5) ?
    C11 C12 C13 C8 . . . . -1.0(5) ?
    C11 C12 C13 O6 . . . . 179.4(3) ?
    P2 O6 C13 C8 . . . . 91.7(3) ?
    P2 O6 C13 C12 . . . . -88.7(3) ?
    N1 P1 C14 C15 . . . . 11.4(3) ?
    N3 P1 C14 C15 . . . . -115.5(3) ?
    C20 P1 C14 C15 . . . . 127.8(3) ?
    N1 P1 C14 C19 . . . . -171.3(3) ?
    N3 P1 C14 C19 . . . . 61.8(3) ?
    C20 P1 C14 C19 . . . . -55.0(3) ?
    C19 C14 C15 C16 . . . .  .8(5) ?
    P1 C14 C15 C16 . . . . 178.0(3) ?
    C14 C15 C16 C17 . . . .  .8(6) ?
    C15 C16 C17 C18 . . . . -1.9(6) ?
    C16 C17 C18 C19 . . . . 1.3(6) ?
    C17 C18 C19 C14 . . . .  .4(6) ?
    C15 C14 C19 C18 . . . . -1.4(5) ?
    P1 C14 C19 C18 . . . . -178.7(3) ?
    N1 P1 C20 C25 . . . . -115.7(3) ?
    N3 P1 C20 C25 . . . . 10.6(3) ?
    C14 P1 C20 C25 . . . . 129.2(3) ?
    N1 P1 C20 C21 . . . . 63.2(3) ?
    N3 P1 C20 C21 . . . . -170.5(3) ?
    C14 P1 C20 C21 . . . . -51.8(3) ?
    C25 C20 C21 C22 . . . .  .4(5) ?
    P1 C20 C21 C22 . . . . -178.6(3) ?
    C20 C21 C22 C23 . . . . -1.1(6) ?
    C21 C22 C23 C24 . . . . 1.3(7) ?
    C22 C23 C24 C25 . . . .  -.6(7) ?
    C23 C24 C25 C20 . . . .  -.1(6) ?
    C21 C20 C25 C24 . . . .  .3(5) ?
    P1 C20 C25 C24 . . . . 179.2(3) ?
data_global
_journal_date_recd_electronic     2001-10-04
_journal_date_accepted     2001-10-12
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2001
_journal_volume     57
_journal_issue     11
_journal_page_first     o1063
_journal_page_last     o1066
_journal_paper_category     EO
_publ_contact_author_name     'Dr Tuncer Hokelek'
_publ_contact_author_address
;
Dr Tuncer Hokelek
Hacettepe University
Department of Physics
06532 Beytepe
Ankara
Turkey
;
_publ_contact_author_email     merzifon@hacettepe.edu.tr
_publ_contact_author_fax     '90(312)2992037'
_publ_contact_author_phone     '90(312)2977242'
_publ_section_title
;
cis-ansa-2,4-Dichloro-2,4-[2,2'-methylenebis(4-nitrophenoxy)]-6,6-diphenyl-
cyclo-2λ⁵,4λ⁵,6λ⁵-triphosphazatriene
;
loop_
    _publ_author_name
    _publ_author_address
    'Hökelek, Tuncer'
;
Hacettepe University
Department of Physics
06532 Beytepe
Ankara
Turkey
;
    'Dal, Hakan'
;
Ankara University
Department of Chemistry
06100 Tandoğan
Ankara
Turkey
;
    'Kılıç, Zeynel'
;
Ankara University
Department of Chemistry
06100 Tandoğan
Ankara
Turkey
;
