#benyahia <benyahia.hamdi@aist.go.jp>
#=======================================================================
data_(I)
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic
; ?
;
_chemical_name_common                    ?
_chemical_formula_moiety                 'Cl1 O8 P1 Pr4'
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    'Cl1 O8 P1 Pr4'
_chemical_formula_weight                 758.1
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting                   tetragonal
_symmetry_space_group_name_H-M           'P 42/m n m'
_symmetry_space_group_name_Hall          '-P 4n 2n'
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
 1   x,y,z
 2   -x,-y,z
 3   -y+1/2,x+1/2,z+1/2
 4   y+1/2,-x+1/2,z+1/2
 5   -x+1/2,y+1/2,-z+1/2
 6   x+1/2,-y+1/2,-z+1/2
 7   y,x,-z
 8   -y,-x,-z
 9   -x,-y,-z
 10  x,y,-z
 11  y+1/2,-x+1/2,-z+1/2
 12  -y+1/2,x+1/2,-z+1/2
 13  x+1/2,-y+1/2,z+1/2
 14  -x+1/2,y+1/2,z+1/2
 15  -y,-x,z
 16  y,x,z
_cell_length_a                           5.8211(3)
_cell_length_b                           5.8211(3)
_cell_length_c                           13.1523(10)
_cell_angle_alpha                        90
_cell_angle_beta                         90
_cell_angle_gamma                        90
_cell_volume                             445.67(5)
_cell_formula_units_Z                    2

_cell_measurement_reflns_used            4502
_cell_measurement_theta_min              3.1
_cell_measurement_theta_max              30.44
_cell_measurement_temperature            293
_cell_special_details
; ?
;

_exptl_crystal_density_diffrn            5.6471(6)
_exptl_crystal_density_meas              ?
_exptl_crystal_density_method            ?
_exptl_crystal_F_000                     664

_exptl_absorpt_coefficient_mu            21.966
_exptl_crystal_description               Plate
_exptl_crystal_size_max                  0.055
_exptl_crystal_size_mid                  0.035
_exptl_crystal_size_min                  0.016
_exptl_crystal_size_rad                  ?
_exptl_crystal_colour                    green
_exptl_absorpt_correction_type           Gaussian
_exptl_absorpt_process_details
 'Jana2006  (Petricek, Dusek & Palatinus, 2000)'
_exptl_absorpt_correction_T_min          0.3745
_exptl_absorpt_correction_T_max          0.6797

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details                   ?

_diffrn_ambient_temperature              293
_diffrn_radiation_type                   'Mo K\a'
_diffrn_radiation_source                 'X-ray tube'
_diffrn_radiation_wavelength             0.71069
_diffrn_radiation_monochromator          graphite
_diffrn_measurement_device               'four-cycle diffractometer'
_diffrn_measurement_device_type          'IPDS Stoe'
_diffrn_detector_area_resol_mean         ?
_diffrn_measurement_method               'Multi-Scan'

_diffrn_reflns_number                    4502
_diffrn_reflns_theta_min                 3.1
_diffrn_reflns_theta_max                 30.44
_diffrn_reflns_theta_full                30.44
_diffrn_measured_fraction_theta_max      1
_diffrn_measured_fraction_theta_full     1
_diffrn_reflns_av_R_equivalents          0.0754
_diffrn_reflns_av_sigmaI/netI            0.0375
_diffrn_reflns_limit_h_min               -8
_diffrn_reflns_limit_h_max               8
_diffrn_reflns_limit_k_min               -8
_diffrn_reflns_limit_k_max               8
_diffrn_reflns_limit_l_min               -18
_diffrn_reflns_limit_l_max               18
_diffrn_reflns_reduction_process         ?

_diffrn_standards_number                 ?
_diffrn_standards_interval_count         ?
_diffrn_standards_interval_time          ?
_diffrn_standards_decay_%                ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
  ? ? ?

#=======================================================================

# 8. REFINEMENT DATA

_refine_special_details
; ?
;

_reflns_number_total                     396
_reflns_number_gt                        280
_reflns_threshold_expression             'I>2σ(I)'

_refine_ls_structure_factor_coef         Fsqd
_refine_ls_R_factor_gt                   0.0213
_refine_ls_wR_factor_gt                  0.0393
_refine_ls_R_factor_all                  0.0455
_refine_ls_wR_factor_ref                 0.0449
_refine_ls_goodness_of_fit_ref           0.82
_refine_ls_goodness_of_fit_gt            0.87
_refine_ls_restrained_S_gt               ?
_refine_ls_restrained_S_all              ?
_refine_ls_number_reflns                 396
_refine_ls_number_parameters             34
_refine_ls_number_restraints             0
_refine_ls_number_constraints            0
_refine_ls_weighting_scheme              sigma
_refine_ls_weighting_details             'w=1/(σ²(I)+0.000576I²)'
_refine_ls_hydrogen_treatment            ?
_refine_ls_shift/su_max                  0.0027
_refine_ls_shift/su_mean                 0.0001
_refine_diff_density_max                 2.47
_refine_diff_density_min                 -1.66
_refine_ls_extinction_method
 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_extinction_coef               960(110)
_refine_ls_abs_structure_details         ?
_refine_ls_abs_structure_Flack           ?
_refine_ls_abs_structure_Rogers          ?

loop_
 _atom_type_symbol
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 Pr  -0.218   2.821
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 P    0.102   0.094
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Cl   0.148   0.159
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 O    0.011   0.006
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

              _computing_data_collection ?
              _computing_cell_refinement ?
               _computing_data_reduction ?
           _computing_structure_solution ?
_computing_structure_refinement
 'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
           _computing_molecular_graphics ?
_computing_publication_material
 'Jana2006 (Petricek, Dusek & Palatinus, 2006)'

#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_U_iso_or_equiv
 _atom_site_symmetry_multiplicity
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
  Pr Pr 0.23807(4) 0.23807(4) 0.33533(2) Uani 0.01034(11) 8 1 d . . .
  O1 O 0 0 0.7677(12) Uani 0.025(3) 4 1 d . . .
  O2 O 0.5 0 0.25 Uani 0.010(2) 4 1 d . . .
  P P 0.2064(8) 0.2064(8) 0 Uani 0.0137(11) 4 0.5 d . . .
  O3 O 0.3163(15) 0.3163(15) 0.9040(9) Uani 0.022(2) 8 0.5 d . . .
  O4 O 0.0511(17) 0.749(3) 0 Uani 0.022(3) 8 0.5 d . . .
  Cl Cl 0.309(2) 0.309(2) 0 Uani 0.099(5) 4 0.5 d . . .



#=======================================================================

# 10. MOLECULAR GEOMETRY


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
  Pr O1 . 3_554 2.333(6) yes
  Pr O1 . 7_556 2.383(9) yes
  Pr O2 . . 2.3462(3) yes
  Pr O2 . 5_555 2.3462(3) yes
  Pr P . 3_555 3.497(4) yes
  Pr P . 4_555 3.497(4) yes
  Pr O3 . 3_544 2.635(9) yes
  Pr O3 . 3_554 3.500(9) yes
  Pr O3 . 4_454 2.635(9) yes
  Pr O3 . 4_554 3.500(9) yes
  Pr O3 . 7_556 3.213(12) yes
  Pr O4 . 4_455 2.490(5) yes
  Pr O4 . 5_545 2.490(5) yes
  Pr Cl . 3_545 3.316(10) yes
  Pr Cl . 4_455 3.316(10) yes
  P O1 . 1_554 3.496(14) yes
  P O1 . 7_556 3.496(14) yes
  P P . 2_555 3.398(6) yes
  P O3 . 1_554 1.553(12) yes
  P O3 . 7_556 1.553(12) yes
  P O4 . 1_545 2.813(15) yes
  P O4 . . 3.284(15) yes
  P O4 . 2_565 1.522(11) yes
  P O4 . 7_455 2.813(15) yes
  P O4 . 7_555 3.284(15) yes
  P O4 . 8_655 1.522(11) yes
  P Cl . . 0.847(13) yes
  Cl O3 . 1_554 1.264(12) yes
  Cl O3 . 2_664 3.330(15) yes
  Cl O3 . 7_556 1.264(12) yes
  Cl O3 . 8_666 3.330(15) yes
  Cl O4 . . 2.967(19) yes
  Cl O4 . 2_565 2.125(16) yes
  Cl O4 . 7_555 2.967(19) yes
  Cl O4 . 8_655 2.125(16) yes
  Cl Cl . 2_665 3.140(18) yes

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_2
 _geom_angle_site_symmetry_3
 _geom_angle
 _geom_angle_publ_flag
  O1 Pr O1 3_554 . 7_556 122.9(5) yes
  O1 Pr O2 3_554 . . 77.23(16) yes
  O1 Pr O2 3_554 . 5_555 77.23(16) yes
  O1 Pr P 3_554 . 3_555 70.5(3) yes
  O1 Pr P 3_554 . 4_555 70.5(3) yes
  O1 Pr O3 3_554 . 3_544 144.9(2) yes
  O1 Pr O3 3_554 . 3_554 61.9(3) yes
  O1 Pr O3 3_554 . 4_454 144.9(2) yes
  O1 Pr O3 3_554 . 4_554 61.9(3) yes
  O1 Pr O3 3_554 . 7_556 56.0(4) yes
  O1 Pr O4 3_554 . 4_455 89.6(4) yes
  O1 Pr O4 3_554 . 5_545 89.6(4) yes
  O1 Pr Cl 3_554 . 3_545 142.7(3) yes
  O1 Pr Cl 3_554 . 4_455 142.7(3) yes
  O1 Pr O2 7_556 . . 76.26(14) yes
  O1 Pr O2 7_556 . 5_555 76.26(14) yes
  O1 Pr P 7_556 . 3_555 149.26(13) yes
  O1 Pr P 7_556 . 4_555 149.26(13) yes
  O1 Pr O3 7_556 . 3_544 65.4(3) yes
  O1 Pr O3 7_556 . 3_554 130.81(17) yes
  O1 Pr O3 7_556 . 4_454 65.4(3) yes
  O1 Pr O3 7_556 . 4_554 130.81(17) yes
  O1 Pr O3 7_556 . 7_556 66.9(4) yes
  O1 Pr O4 7_556 . 4_455 142.7(4) yes
  O1 Pr O4 7_556 . 5_545 142.7(4) yes
  O1 Pr Cl 7_556 . 3_545 83.4(3) yes
  O1 Pr Cl 7_556 . 4_455 83.4(3) yes
  O2 Pr O2 . . 5_555 122.610(13) yes
  O2 Pr P . . 3_555 134.16(8) yes
  O2 Pr P . . 4_555 81.04(6) yes
  O2 Pr O3 . . 3_544 72.0(2) yes
  O2 Pr O3 . . 3_554 138.63(16) yes
  O2 Pr O3 . . 4_454 134.3(2) yes
  O2 Pr O3 . . 4_554 56.28(18) yes
  O2 Pr O3 . . 7_556 61.51(16) yes
  O2 Pr O4 . . 4_455 133.7(3) yes
  O2 Pr O4 . . 5_545 96.3(3) yes
  O2 Pr Cl . . 3_545 85.52(18) yes
  O2 Pr Cl . . 4_455 138.8(2) yes
  O2 Pr P 5_555 . 3_555 81.04(6) yes
  O2 Pr P 5_555 . 4_555 134.16(8) yes
  O2 Pr O3 5_555 . 3_544 134.3(2) yes
  O2 Pr O3 5_555 . 3_554 56.28(18) yes
  O2 Pr O3 5_555 . 4_454 72.0(2) yes
  O2 Pr O3 5_555 . 4_554 138.63(16) yes
  O2 Pr O3 5_555 . 7_556 61.51(16) yes
  O2 Pr O4 5_555 . 4_455 96.3(3) yes
  O2 Pr O4 5_555 . 5_545 133.7(3) yes
  O2 Pr Cl 5_555 . 3_545 138.8(2) yes
  O2 Pr Cl 5_555 . 4_455 85.52(18) yes
  P Pr P 3_555 . 4_555 58.14(10) yes
  P Pr O3 3_555 . 3_544 121.7(3) yes
  P Pr O3 3_555 . 3_554 25.7(2) yes
  P Pr O3 3_555 . 4_454 88.1(2) yes
  P Pr O3 3_555 . 4_554 79.73(18) yes
  P Pr O3 3_555 . 7_556 118.89(17) yes
  P Pr O4 3_555 . 4_455 22.3(2) yes
  P Pr O4 3_555 . 5_545 52.9(3) yes
  P Pr Cl 3_555 . 3_545 100.95(15) yes
  P Pr Cl 3_555 . 4_455 74.3(2) yes
  P Pr O3 4_555 . 3_544 88.1(2) yes
  P Pr O3 4_555 . 3_554 79.73(18) yes
  P Pr O3 4_555 . 4_454 121.7(3) yes
  P Pr O3 4_555 . 4_554 25.7(2) yes
  P Pr O3 4_555 . 7_556 118.89(17) yes
  P Pr O4 4_555 . 4_455 52.9(3) yes
  P Pr O4 4_555 . 5_545 22.3(2) yes
  P Pr Cl 4_555 . 3_545 74.3(2) yes
  P Pr Cl 4_555 . 4_455 100.95(15) yes
  O3 Pr O3 3_544 . 3_554 142.8(3) yes
  O3 Pr O3 3_544 . 4_454 70.0(3) yes
  O3 Pr O3 3_544 . 4_554 86.7(3) yes
  O3 Pr O3 3_544 . 7_556 119.0(3) yes
  O3 Pr O4 3_544 . 4_455 99.4(3) yes
  O3 Pr O4 3_544 . 5_545 77.5(4) yes
  O3 Pr Cl 3_544 . 3_545 20.7(3) yes
  O3 Pr Cl 3_544 . 4_455 66.9(3) yes
  O3 Pr O3 3_554 . 4_454 86.7(3) yes
  O3 Pr O3 3_554 . 4_554 96.2(2) yes
  O3 Pr O3 3_554 . 7_556 97.4(3) yes
  O3 Pr O4 3_554 . 4_455 45.9(3) yes
  O3 Pr O4 3_554 . 5_545 78.2(4) yes
  O3 Pr Cl 3_554 . 3_545 123.2(2) yes
  O3 Pr Cl 3_554 . 4_455 81.0(3) yes
  O3 Pr O3 4_454 . 4_554 142.8(3) yes
  O3 Pr O3 4_454 . 7_556 119.0(3) yes
  O3 Pr O4 4_454 . 4_455 77.5(4) yes
  O3 Pr O4 4_454 . 5_545 99.4(3) yes
  O3 Pr Cl 4_454 . 3_545 66.9(3) yes
  O3 Pr Cl 4_454 . 4_455 20.7(3) yes
  O3 Pr O3 4_554 . 7_556 97.4(3) yes
  O3 Pr O4 4_554 . 4_455 78.2(4) yes
  O3 Pr O4 4_554 . 5_545 45.9(3) yes
  O3 Pr Cl 4_554 . 3_545 81.0(3) yes
  O3 Pr Cl 4_554 . 4_455 123.2(2) yes
  O3 Pr O4 7_556 . 4_455 141.1(3) yes
  O3 Pr O4 7_556 . 5_545 141.1(3) yes
  O3 Pr Cl 7_556 . 3_545 139.3(2) yes
  O3 Pr Cl 7_556 . 4_455 139.3(2) yes
  O4 Pr O4 4_455 . 5_545 38.6(4) yes
  O4 Pr Cl 4_455 . 3_545 78.8(2) yes
  O4 Pr Cl 4_455 . 4_455 59.4(4) yes
  O4 Pr Cl 5_545 . 3_545 59.4(4) yes
  O4 Pr Cl 5_545 . 4_455 78.8(2) yes
  Cl Pr Cl 3_545 . 4_455 56.5(3) yes
  Pr P Pr 3_544 . 4_454 76.14(6) yes
  Pr P Pr 3_544 . 5_545 76.54(9) yes
  Pr P Pr 3_544 . 6_455 121.86(13) yes
  Pr P O1 3_544 . 1_554 38.97(4) yes
  Pr P O1 3_544 . 7_556 107.77(15) yes
  Pr P P 3_544 . 2_555 60.93(9) yes
  Pr P O3 3_544 . 1_554 77.3(4) yes
  Pr P O3 3_544 . 7_556 141.9(4) yes
  Pr P O4 3_544 . 1_545 44.88(12) yes
  Pr P O4 3_544 . . 140.80(7) yes
  Pr P O4 3_544 . 2_565 103.0(5) yes
  Pr P O4 3_544 . 7_455 80.62(19) yes
  Pr P O4 3_544 . 7_555 72.33(16) yes
  Pr P O4 3_544 . 8_655 38.38(6) yes
  Pr P Cl 3_544 . . 119.1(7) yes
  Pr P Pr 4_454 . 5_545 121.86(13) yes
  Pr P Pr 4_454 . 6_455 76.54(9) yes
  Pr P O1 4_454 . 1_554 38.97(4) yes
  Pr P O1 4_454 . 7_556 107.77(15) yes
  Pr P P 4_454 . 2_555 60.93(9) yes
  Pr P O3 4_454 . 1_554 77.3(4) yes
  Pr P O3 4_454 . 7_556 141.9(4) yes
  Pr P O4 4_454 . 1_545 80.62(19) yes
  Pr P O4 4_454 . . 72.33(16) yes
  Pr P O4 4_454 . 2_565 38.38(6) yes
  Pr P O4 4_454 . 7_455 44.88(12) yes
  Pr P O4 4_454 . 7_555 140.80(7) yes
  Pr P O4 4_454 . 8_655 103.0(5) yes
  Pr P Cl 4_454 . . 119.1(7) yes
  Pr P Pr 5_545 . 6_455 76.14(6) yes
  Pr P O1 5_545 . 1_554 107.77(15) yes
  Pr P O1 5_545 . 7_556 38.97(4) yes
  Pr P P 5_545 . 2_555 60.93(9) yes
  Pr P O3 5_545 . 1_554 141.9(4) yes
  Pr P O3 5_545 . 7_556 77.3(4) yes
  Pr P O4 5_545 . 1_545 44.88(12) yes
  Pr P O4 5_545 . . 140.80(7) yes
  Pr P O4 5_545 . 2_565 103.0(5) yes
  Pr P O4 5_545 . 7_455 80.62(19) yes
  Pr P O4 5_545 . 7_555 72.33(16) yes
  Pr P O4 5_545 . 8_655 38.38(6) yes
  Pr P Cl 5_545 . . 119.1(7) yes
  Pr P O1 6_455 . 1_554 107.77(15) yes
  Pr P O1 6_455 . 7_556 38.97(4) yes
  Pr P P 6_455 . 2_555 60.93(9) yes
  Pr P O3 6_455 . 1_554 141.9(4) yes
  Pr P O3 6_455 . 7_556 77.3(4) yes
  Pr P O4 6_455 . 1_545 80.62(19) yes
  Pr P O4 6_455 . . 72.33(16) yes
  Pr P O4 6_455 . 2_565 38.38(6) yes
  Pr P O4 6_455 . 7_455 44.88(12) yes
  Pr P O4 6_455 . 7_555 140.80(7) yes
  Pr P O4 6_455 . 8_655 103.0(5) yes
  Pr P Cl 6_455 . . 119.1(7) yes
  O1 P O1 1_554 . 7_556 121.8(2) yes
  O1 P P 1_554 . 2_555 60.92(15) yes
  O1 P O3 1_554 . 1_554 64.7(4) yes
  O1 P O3 1_554 . 7_556 173.4(4) yes
  O1 P O4 1_554 . 1_545 64.16(14) yes
  O1 P O4 1_554 . . 103.64(13) yes
  O1 P O4 1_554 . 2_565 73.8(3) yes
  O1 P O4 1_554 . 7_455 64.16(14) yes
  O1 P O4 1_554 . 7_555 103.64(13) yes
  O1 P O4 1_554 . 8_655 73.8(3) yes
  O1 P Cl 1_554 . . 119.08(15) yes
  O1 P P 7_556 . 2_555 60.92(15) yes
  O1 P O3 7_556 . 1_554 173.4(4) yes
  O1 P O3 7_556 . 7_556 64.7(4) yes
  O1 P O4 7_556 . 1_545 64.16(14) yes
  O1 P O4 7_556 . . 103.64(13) yes
  O1 P O4 7_556 . 2_565 73.8(3) yes
  O1 P O4 7_556 . 7_455 64.16(14) yes
  O1 P O4 7_556 . 7_555 103.64(13) yes
  O1 P O4 7_556 . 8_655 73.8(3) yes
  O1 P Cl 7_556 . . 119.08(15) yes
  P P O3 2_555 . 1_554 125.6(4) yes
  P P O3 2_555 . 7_556 125.6(4) yes
  P P O4 2_555 . 1_545 26.3(2) yes
  P P O4 2_555 . . 119.0(2) yes
  P P O4 2_555 . 2_565 54.9(6) yes
  P P O4 2_555 . 7_455 26.3(2) yes
  P P O4 2_555 . 7_555 119.0(2) yes
  P P O4 2_555 . 8_655 54.9(6) yes
  P P Cl 2_555 . . 180 yes
  O3 P O3 1_554 . 7_556 108.7(6) yes
  O3 P O4 1_554 . 1_545 121.5(4) yes
  O3 P O4 1_554 . . 73.6(4) yes
  O3 P O4 1_554 . 2_565 109.6(5) yes
  O3 P O4 1_554 . 7_455 121.5(4) yes
  O3 P O4 1_554 . 7_555 73.6(4) yes
  O3 P O4 1_554 . 8_655 109.6(5) yes
  O3 P Cl 1_554 . . 54.4(4) yes
  O3 P O4 7_556 . 1_545 121.5(4) yes
  O3 P O4 7_556 . . 73.6(4) yes
  O3 P O4 7_556 . 2_565 109.6(5) yes
  O3 P O4 7_556 . 7_455 121.5(4) yes
  O3 P O4 7_556 . 7_555 73.6(4) yes
  O3 P O4 7_556 . 8_655 109.6(5) yes
  O3 P Cl 7_556 . . 54.4(4) yes
  O4 P O4 1_545 . . 145.3(3) yes
  O4 P O4 1_545 . 2_565 81.1(6) yes
  O4 P O4 1_545 . 7_455 52.5(3) yes
  O4 P O4 1_545 . 7_555 92.8(3) yes
  O4 P O4 1_545 . 8_655 28.6(6) yes
  O4 P Cl 1_545 . . 153.7(10) yes
  O4 P O4 . . 2_565 64.1(6) yes
  O4 P O4 . . 7_455 92.8(3) yes
  O4 P O4 . . 7_555 122.0(3) yes
  O4 P O4 . . 8_655 173.9(6) yes
  O4 P Cl . . . 61.0(9) yes
  O4 P O4 2_565 . 7_455 28.6(6) yes
  O4 P O4 2_565 . 7_555 173.9(6) yes
  O4 P O4 2_565 . 8_655 109.8(8) yes
  O4 P Cl 2_565 . . 125.1(11) yes
  O4 P O4 7_455 . 7_555 145.3(3) yes
  O4 P O4 7_455 . 8_655 81.1(6) yes
  O4 P Cl 7_455 . . 153.7(10) yes
  O4 P O4 7_555 . 8_655 64.1(6) yes
  O4 P Cl 7_555 . . 61.0(9) yes
  O4 P Cl 8_655 . . 125.1(11) yes
  Pr Cl Pr 3_554 . 4_554 72.46(15) yes
  Pr Cl Pr 3_554 . 5_555 81.6(3) yes
  Pr Cl Pr 3_554 . 6_555 123.5(4) yes
  Pr Cl P 3_554 . . 118.3(7) yes
  Pr Cl O3 3_554 . 1_554 47.6(6) yes
  Pr Cl O3 3_554 . 2_664 46.7(2) yes
  Pr Cl O3 3_554 . 7_556 129.1(8) yes
  Pr Cl O3 3_554 . 8_666 79.0(3) yes
  Pr Cl O4 3_554 . . 46.29(19) yes
  Pr Cl O4 3_554 . 2_565 92.2(5) yes
  Pr Cl O4 3_554 . 7_555 116.9(3) yes
  Pr Cl O4 3_554 . 8_655 136.9(2) yes
  Pr Cl Cl 3_554 . 2_665 61.7(3) yes
  Pr Cl Pr 4_554 . 5_555 123.5(4) yes
  Pr Cl Pr 4_554 . 6_555 81.6(3) yes
  Pr Cl P 4_554 . . 118.3(7) yes
  Pr Cl O3 4_554 . 1_554 47.6(6) yes
  Pr Cl O3 4_554 . 2_664 46.7(2) yes
  Pr Cl O3 4_554 . 7_556 129.1(8) yes
  Pr Cl O3 4_554 . 8_666 79.0(3) yes
  Pr Cl O4 4_554 . . 116.9(3) yes
  Pr Cl O4 4_554 . 2_565 136.9(2) yes
  Pr Cl O4 4_554 . 7_555 46.29(19) yes
  Pr Cl O4 4_554 . 8_655 92.2(5) yes
  Pr Cl Cl 4_554 . 2_665 61.7(3) yes
  Pr Cl Pr 5_555 . 6_555 72.46(15) yes
  Pr Cl P 5_555 . . 118.3(7) yes
  Pr Cl O3 5_555 . 1_554 129.1(8) yes
  Pr Cl O3 5_555 . 2_664 79.0(3) yes
  Pr Cl O3 5_555 . 7_556 47.6(6) yes
  Pr Cl O3 5_555 . 8_666 46.7(2) yes
  Pr Cl O4 5_555 . . 46.29(19) yes
  Pr Cl O4 5_555 . 2_565 92.2(5) yes
  Pr Cl O4 5_555 . 7_555 116.9(3) yes
  Pr Cl O4 5_555 . 8_655 136.9(2) yes
  Pr Cl Cl 5_555 . 2_665 61.7(3) yes
  Pr Cl P 6_555 . . 118.3(7) yes
  Pr Cl O3 6_555 . 1_554 129.1(8) yes
  Pr Cl O3 6_555 . 2_664 79.0(3) yes
  Pr Cl O3 6_555 . 7_556 47.6(6) yes
  Pr Cl O3 6_555 . 8_666 46.7(2) yes
  Pr Cl O4 6_555 . . 116.9(3) yes
  Pr Cl O4 6_555 . 2_565 136.9(2) yes
  Pr Cl O4 6_555 . 7_555 46.29(19) yes
  Pr Cl O4 6_555 . 8_655 92.2(5) yes
  Pr Cl Cl 6_555 . 2_665 61.7(3) yes
  P Cl O3 . . 1_554 92.6(7) yes
  P Cl O3 . . 2_664 157.7(2) yes
  P Cl O3 . . 7_556 92.6(7) yes
  P Cl O3 . . 8_666 157.7(2) yes
  P Cl O4 . . . 104.6(10) yes
  P Cl O4 . . 2_565 35.9(8) yes
  P Cl O4 . . 7_555 104.6(10) yes
  P Cl O4 . . 8_655 35.9(8) yes
  P Cl Cl . . 2_665 180 yes
  O3 Cl O3 1_554 . 2_664 65.1(7) yes
  O3 Cl O3 1_554 . 7_556 174.8(13) yes
  O3 Cl O3 1_554 . 8_666 109.7(8) yes
  O3 Cl O4 1_554 . . 89.3(7) yes
  O3 Cl O4 1_554 . 2_565 92.1(7) yes
  O3 Cl O4 1_554 . 7_555 89.3(7) yes
  O3 Cl O4 1_554 . 8_655 92.1(7) yes
  O3 Cl Cl 1_554 . 2_665 87.4(7) yes
  O3 Cl O3 2_664 . 7_556 109.7(8) yes
  O3 Cl O3 2_664 . 8_666 44.6(3) yes
  O3 Cl O4 2_664 . . 76.5(4) yes
  O3 Cl O4 2_664 . 2_565 138.6(6) yes
  O3 Cl O4 2_664 . 7_555 76.5(4) yes
  O3 Cl O4 2_664 . 8_655 138.6(6) yes
  O3 Cl Cl 2_664 . 2_665 22.3(2) yes
  O3 Cl O3 7_556 . 8_666 65.1(7) yes
  O3 Cl O4 7_556 . . 89.3(7) yes
  O3 Cl O4 7_556 . 2_565 92.1(7) yes
  O3 Cl O4 7_556 . 7_555 89.3(7) yes
  O3 Cl O4 7_556 . 8_655 92.1(7) yes
  O3 Cl Cl 7_556 . 2_665 87.4(7) yes
  O3 Cl O4 8_666 . . 76.5(4) yes
  O3 Cl O4 8_666 . 2_565 138.6(6) yes
  O3 Cl O4 8_666 . 7_555 76.5(4) yes
  O3 Cl O4 8_666 . 8_655 138.6(6) yes
  O3 Cl Cl 8_666 . 2_665 22.3(2) yes
  O4 Cl O4 . . 2_565 68.7(6) yes
  O4 Cl O4 . . 7_555 150.9(6) yes
  O4 Cl O4 . . 8_655 140.4(7) yes
  O4 Cl Cl . . 2_665 75.4(4) yes
  O4 Cl O4 2_565 . 7_555 140.4(7) yes
  O4 Cl O4 2_565 . 8_655 71.7(7) yes
  O4 Cl Cl 2_565 . 2_665 144.1(7) yes
  O4 Cl O4 7_555 . 8_655 68.7(6) yes
  O4 Cl Cl 7_555 . 2_665 75.4(4) yes
  O4 Cl Cl 8_655 . 2_665 144.1(7) yes

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
 ? ? ? ? ? ? ? ? ? ?

loop_
 _geom_hbond_atom_site_label_D
 _geom_hbond_atom_site_label_H
 _geom_hbond_atom_site_label_A
 _geom_hbond_site_symmetry_D
 _geom_hbond_site_symmetry_H
 _geom_hbond_site_symmetry_A
 _geom_hbond_distance_DH
 _geom_hbond_distance_HA
 _geom_hbond_distance_DA
 _geom_hbond_angle_DHA
 _geom_hbond_publ_flag
 ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 11. STRUCTURE-FACTOR LIST

