# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_mo_mje204_dcm_0m
_database_code_depnum_ccdc_archive 'CCDC 2379260'
loop_
_audit_author_name
_audit_author_address
'Moritz Ernst'
;Freie Universitaet Berlin
Germany
;
_audit_update_record             
;
2024-09-23 deposited with the CCDC.	2024-10-15 downloaded from the CCDC.
;
_audit_creation_date             2024-09-20
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '4(Cl1.5 P0.25), 4(C1.75 N0.25)'
_chemical_formula_sum            'C7 Cl6 N P'
_chemical_formula_weight         341.75
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      cubic
_space_group_IT_number           221
_space_group_name_H-M_alt        'P m -3 m'
_space_group_name_Hall           '-P 4 2 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'y, x, -z'
'-y, -x, -z'
'y, -x, z'
'-y, x, z'
'x, z, -y'
'-x, z, y'
'-x, -z, -y'
'x, -z, y'
'z, y, -x'
'z, -y, x'
'-z, y, x'
'-z, -y, -x'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-z, -x, -y'
'-z, x, y'
'z, x, -y'
'z, -x, y'
'-y, -z, -x'
'y, -z, x'
'-y, z, x'
'y, z, -x'
'-y, -x, z'
'y, x, z'
'-y, x, -z'
'y, -x, -z'
'-x, -z, y'
'x, -z, -y'
'x, z, y'
'-x, z, -y'
'-z, -y, x'
'-z, y, -x'
'z, -y, -x'
'z, y, x'

_cell_length_a                   7.2009(9)
_cell_length_b                   7.2009(9)
_cell_length_c                   7.2009(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     373.39(14)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    1133
_cell_measurement_temperature    100
_cell_measurement_theta_max      23.83
_cell_measurement_theta_min      2.83
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.226
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5473
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0841 before and 0.0621 after correction.
The Ratio of minimum to maximum transmission is 0.7339.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.520
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             166
_exptl_crystal_size_max          0.256
_exptl_crystal_size_mid          0.114
_exptl_crystal_size_min          0.093
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0690
_diffrn_reflns_av_unetI/netI     0.0128
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            3228
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        24.939
_diffrn_reflns_theta_max         24.939
_diffrn_reflns_theta_min         2.829
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                77
_reflns_number_total             95
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.308
_refine_diff_density_min         -0.411
_refine_diff_density_rms         0.092
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.233
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     17
_refine_ls_number_reflns         95
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0552
_refine_ls_restrained_S_all      1.233
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1063P)²+0.1516P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1497
_refine_ls_wR_factor_ref         0.1698
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Sof: Cl1(0.03125) Cl2(0.09375) C2(0.083325) C1(0.0625)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl1 Cl 0.500000 0.2924(15) 0.7076(15) 0.100(5) Uani 0.125 4 d S T P . .
Cl2 Cl 0.500000 0.2058(5) 0.500000 0.0915(17) Uani 0.75 8 d S T P . .
P1 P 0.500000 0.500000 0.500000 0.0570(17) Uani 1 48 d S T P . .
N1 N 0.000000 0.000000 0.000000 0.059(4) Uani 1 48 d S T P . .
C2 C 0.1521(18) 0.1521(18) 0.000000 0.106(9) Uani 0.3333 4 d S T P . .
C1 C 0.000000 -0.351(3) 0.000000 0.111(9) Uani 0.5 8 d S T P . .


_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_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cl1 Cl1 2.114(15) 6_566 ?
Cl1 Cl1 2.114(15) 29_666 ?
Cl1 Cl1 2.114(15) 33_666 ?
Cl1 Cl1 2.114(15) 34_565 ?
Cl1 Cl2 1.620(6) . ?
Cl1 Cl2 1.620(6) 29_666 ?
Cl1 P1 2.114(15) . ?
Cl2 P1 2.119(3) . ?
N1 C2 1.549(18) 33 ?
N1 C2 1.549(18) 25 ?
N1 C2 1.549(18) 9 ?
N1 C2 1.549(18) 29 ?
N1 C2 1.549(18) 31 ?
N1 C2 1.549(18) 7 ?
N1 C2 1.549(18) 3 ?
N1 C2 1.549(18) 11 ?
N1 C2 1.549(18) . ?
N1 C2 1.549(18) 27 ?
N1 C2 1.549(18) 5 ?
N1 C2 1.549(18) 35 ?
C2 C2 1.549(18) 11 ?
C2 C2 1.549(18) 5 ?
C2 C2 1.549(18) 9 ?
C2 C2 1.549(18) 31 ?
C2 C1 1.803(19) 33 ?
C2 C1 1.803(19) 25 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl1 Cl1 Cl1 119.999(2) 6_566 34_565 ?
Cl1 Cl1 Cl1 119.999(3) 29_666 33_666 ?
Cl1 Cl1 Cl1 90.0 6_566 29_666 ?
Cl1 Cl1 Cl1 89.999(1) 34_565 33_666 ?
Cl1 Cl1 Cl1 60.0 6_566 33_666 ?
Cl1 Cl1 Cl1 60.0 34_565 29_666 ?
Cl1 Cl1 P1 60.000(2) 34_565 . ?
Cl1 Cl1 P1 60.0 6_566 . ?
Cl1 Cl1 P1 60.0 33_666 . ?
Cl1 Cl1 P1 60.000(1) 29_666 . ?
Cl2 Cl1 Cl1 105.8(3) 29_666 33_666 ?
Cl2 Cl1 Cl1 105.8(3) 29_666 34_565 ?
Cl2 Cl1 Cl1 105.8(3) . 29_666 ?
Cl2 Cl1 Cl1 49.26(18) 29_666 29_666 ?
Cl2 Cl1 Cl1 49.26(18) . 34_565 ?
Cl2 Cl1 Cl1 49.26(18) 29_666 6_566 ?
Cl2 Cl1 Cl1 49.26(18) . 33_666 ?
Cl2 Cl1 Cl1 105.8(3) . 6_566 ?
Cl2 Cl1 Cl2 135.3(10) 29_666 . ?
Cl2 Cl1 P1 67.7(5) 29_666 . ?
Cl2 Cl1 P1 67.7(5) . . ?
Cl1 Cl2 Cl1 81.5(4) 33_666 26_556 ?
Cl1 Cl2 Cl1 134.7(10) 26_556 . ?
Cl1 Cl2 Cl1 81.5(4) 33_666 . ?
Cl1 Cl2 Cl1 81.5(4) 34_565 26_556 ?
Cl1 Cl2 Cl1 81.5(4) 34_565 . ?
Cl1 Cl2 Cl1 134.7(10) 33_666 34_565 ?
Cl1 Cl2 P1 67.3(5) 33_666 . ?
Cl1 Cl2 P1 67.3(5) 34_565 . ?
Cl1 Cl2 P1 67.3(5) 26_556 . ?
Cl1 Cl2 P1 67.3(5) . . ?
Cl1 P1 Cl1 120.0 2_665 5 ?
Cl1 P1 Cl1 90.0 10_656 33_666 ?
Cl1 P1 Cl1 60.000(1) 2_665 29_666 ?
Cl1 P1 Cl1 60.0 33_666 5 ?
Cl1 P1 Cl1 60.0 34_565 29_666 ?
Cl1 P1 Cl1 120.0 34_565 25_666 ?
Cl1 P1 Cl1 60.0 10_656 5 ?
Cl1 P1 Cl1 60.0 30_655 25_666 ?
Cl1 P1 Cl1 120.0 2_665 33_666 ?
Cl1 P1 Cl1 90.0 2_665 25_666 ?
Cl1 P1 Cl1 90.000(1) 30_655 29_666 ?
Cl1 P1 Cl1 120.0 33_666 25_666 ?
Cl1 P1 Cl1 120.0 33_666 29_666 ?
Cl1 P1 Cl1 60.0 5 25_666 ?
Cl1 P1 Cl1 60.0 33_666 . ?
Cl1 P1 Cl1 90.0 10_656 9 ?
Cl1 P1 Cl1 60.0 30_655 9 ?
Cl1 P1 Cl1 120.0 6_566 9 ?
Cl1 P1 Cl1 60.0 2_665 9 ?
Cl1 P1 Cl1 120.0 26_556 9 ?
Cl1 P1 Cl1 180.0 33_666 9 ?
Cl1 P1 Cl1 60.0 29_666 9 ?
Cl1 P1 Cl1 120.0 5 9 ?
Cl1 P1 Cl1 60.0 25_666 9 ?
Cl1 P1 Cl1 60.0 34_565 . ?
Cl1 P1 Cl1 120.0 10_656 . ?
Cl1 P1 Cl1 120.0 30_655 . ?
Cl1 P1 Cl1 60.0 6_566 . ?
Cl1 P1 Cl1 90.0 2_665 . ?
Cl1 P1 Cl1 90.0 26_556 . ?
Cl1 P1 Cl1 60.0 29_666 . ?
Cl1 P1 Cl1 180.0(4) 34_565 10_656 ?
Cl1 P1 Cl1 90.0 6_566 5 ?
Cl1 P1 Cl1 60.0 34_565 30_655 ?
Cl1 P1 Cl1 180.0 25_666 . ?
Cl1 P1 Cl1 120.0 10_656 30_655 ?
Cl1 P1 Cl1 90.000(1) 6_566 29_666 ?
Cl1 P1 Cl1 120.0 34_565 6_566 ?
Cl1 P1 Cl1 60.0 26_556 5 ?
Cl1 P1 Cl1 60.0 10_656 6_566 ?
Cl1 P1 Cl1 60.0 26_556 33_666 ?
Cl1 P1 Cl1 180.0 30_655 6_566 ?
Cl1 P1 Cl1 180.0 29_666 5 ?
Cl1 P1 Cl1 120.0 34_565 2_665 ?
Cl1 P1 Cl1 120.0 34_565 5 ?
Cl1 P1 Cl1 60.0 10_656 2_665 ?
Cl1 P1 Cl1 60.0 10_656 25_666 ?
Cl1 P1 Cl1 120.0 30_655 2_665 ?
Cl1 P1 Cl1 60.0 6_566 33_666 ?
Cl1 P1 Cl1 60.0 6_566 2_665 ?
Cl1 P1 Cl1 120.0 6_566 25_666 ?
Cl1 P1 Cl1 60.0 34_565 26_556 ?
Cl1 P1 Cl1 120.0 10_656 29_666 ?
Cl1 P1 Cl1 120.0 10_656 26_556 ?
Cl1 P1 Cl1 90.0 26_556 25_666 ?
Cl1 P1 Cl1 60.000(1) 30_655 26_556 ?
Cl1 P1 Cl1 120.0 26_556 29_666 ?
Cl1 P1 Cl1 120.0 6_566 26_556 ?
Cl1 P1 Cl1 120.0 29_666 25_666 ?
Cl1 P1 Cl1 180.0 2_665 26_556 ?
Cl1 P1 Cl1 90.0 30_655 5 ?
Cl1 P1 Cl1 90.0 34_565 33_666 ?
Cl1 P1 Cl1 90.0 34_565 9 ?
Cl1 P1 Cl1 120.0 5 . ?
Cl1 P1 Cl1 120.0 30_655 33_666 ?
Cl1 P1 Cl1 120.0 9 . ?
C2 N1 C2 120.0 33 . ?
C2 N1 C2 90.0 . 3 ?
C2 N1 C2 60.0 9 7 ?
C2 N1 C2 120.000(1) 3 11 ?
C2 N1 C2 120.000(1) 5 27 ?
C2 N1 C2 120.000(1) 29 3 ?
C2 N1 C2 60.0 33 31 ?
C2 N1 C2 60.0 33 25 ?
C2 N1 C2 90.0 . 27 ?
C2 N1 C2 60.0 29 27 ?
C2 N1 C2 60.0 33 3 ?
C2 N1 C2 180.0(13) . 25 ?
C2 N1 C2 90.0 5 7 ?
C2 N1 C2 120.0 25 11 ?
C2 N1 C2 120.0 25 31 ?
C2 N1 C2 180.0(13) 33 9 ?
C2 N1 C2 180.0(13) 7 31 ?
C2 N1 C2 120.0 33 27 ?
C2 N1 C2 60.0 9 27 ?
C2 N1 C2 60.0 . 9 ?
C2 N1 C2 60.0 7 27 ?
C2 N1 C2 120.000(1) 31 27 ?
C2 N1 C2 60.0 25 7 ?
C2 N1 C2 120.0 25 9 ?
C2 N1 C2 90.0 29 7 ?
C2 N1 C2 60.0 31 3 ?
C2 N1 C2 60.0 35 7 ?
C2 N1 C2 60.0 33 29 ?
C2 N1 C2 60.0 . 31 ?
C2 N1 C2 180.0(13) 35 11 ?
C2 N1 C2 120.000(1) 9 31 ?
C2 N1 C2 120.0 . 29 ?
C2 N1 C2 120.0 . 35 ?
C2 N1 C2 120.0 35 31 ?
C2 N1 C2 60.0 25 35 ?
C2 N1 C2 60.0 25 29 ?
C2 N1 C2 90.0 9 35 ?
C2 N1 C2 90.0 25 27 ?
C2 N1 C2 120.000(1) 29 35 ?
C2 N1 C2 120.0 9 29 ?
C2 N1 C2 60.0 5 35 ?
C2 N1 C2 120.0 35 27 ?
C2 N1 C2 120.000(1) 33 7 ?
C2 N1 C2 120.0 33 5 ?
C2 N1 C2 120.0 . 7 ?
C2 N1 C2 90.0 25 3 ?
C2 N1 C2 60.0 5 3 ?
C2 N1 C2 60.0 . 5 ?
C2 N1 C2 120.000(1) 7 3 ?
C2 N1 C2 60.0 35 3 ?
C2 N1 C2 180.0(13) 27 3 ?
C2 N1 C2 120.0 25 5 ?
C2 N1 C2 60.0 . 11 ?
C2 N1 C2 90.0 33 11 ?
C2 N1 C2 90.0 9 11 ?
C2 N1 C2 60.0 9 5 ?
C2 N1 C2 120.000(1) 5 11 ?
C2 N1 C2 60.0 29 11 ?
C2 N1 C2 120.0 7 11 ?
C2 N1 C2 180.0(13) 29 5 ?
C2 N1 C2 60.0 27 11 ?
C2 N1 C2 60.0 31 11 ?
C2 N1 C2 90.0 29 31 ?
C2 N1 C2 90.0 33 35 ?
C2 N1 C2 90.0 5 31 ?
C2 N1 C2 120.0 9 3 ?
N1 C2 C2 60.0 . 31 ?
N1 C2 C2 60.0 . 9 ?
N1 C2 C2 60.0 . 5 ?
N1 C2 C1 97.6(8) . 33 ?
N1 C2 C1 97.6(8) . 25 ?
C2 C2 N1 60.0 11 . ?
C2 C2 C2 120.0 11 5 ?
C2 C2 C2 60.000(1) 5 9 ?
C2 C2 C2 90.0 31 5 ?
C2 C2 C2 120.0 31 9 ?
C2 C2 C2 60.000(1) 11 31 ?
C2 C2 C2 90.0 11 9 ?
C2 C2 C1 124.2(4) 31 33 ?
C2 C2 C1 124.2(4) 11 25 ?
C2 C2 C1 124.2(4) 5 33 ?
C2 C2 C1 124.2(4) 9 25 ?
C2 C2 C1 64.6(5) 11 33 ?
C2 C2 C1 64.6(5) 9 33 ?
C2 C2 C1 64.6(5) 5 25 ?
C2 C2 C1 64.6(5) 31 25 ?
C1 C2 C1 164.8(15) 33 25 ?
C2 C1 C2 50.9(9) 27 29 ?
C2 C1 C2 74.8(15) 27 25 ?
C2 C1 C2 74.8(15) 7 29 ?
C2 C1 C2 50.9(9) 7 25 ?
C2 C1 C2 50.9(9) 25 29 ?
C2 C1 C2 50.9(9) 7 27 ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cl1 Cl1 Cl2 Cl1 21.6(5) 6_566 . . 33_666 ?
Cl1 Cl1 Cl2 Cl1 -21.6(5) 29_666 . . 34_565 ?
Cl1 Cl1 Cl2 Cl1 47.30(11) 29_666 . . 26_556 ?
Cl1 Cl1 Cl2 Cl1 -68.9(4) 33_666 . . 26_556 ?
Cl1 Cl1 Cl2 Cl1 116.2(3) 29_666 . . 33_666 ?
Cl1 Cl1 Cl2 Cl1 68.9(4) 34_565 . . 26_556 ?
Cl1 Cl1 Cl2 Cl1 -116.2(3) 6_566 . . 34_565 ?
Cl1 Cl1 Cl2 Cl1 137.9(8) 34_565 . . 33_666 ?
Cl1 Cl1 Cl2 Cl1 -47.30(10) 6_566 . . 26_556 ?
Cl1 Cl1 Cl2 Cl1 -137.9(8) 33_666 . . 34_565 ?
Cl1 Cl1 Cl2 P1 47.30(11) 29_666 . . . ?
Cl1 Cl1 Cl2 P1 -68.9(4) 33_666 . . . ?
Cl1 Cl1 Cl2 P1 68.9(4) 34_565 . . . ?
Cl1 Cl1 Cl2 P1 -47.30(11) 6_566 . . . ?
Cl2 Cl1 Cl2 Cl1 -68.9(4) 29_666 . . 34_565 ?
Cl2 Cl1 Cl2 Cl1 0.000(2) 29_666 . . 26_556 ?
Cl2 Cl1 Cl2 Cl1 68.9(4) 29_666 . . 33_666 ?
Cl2 Cl1 Cl2 P1 0.000(0) 29_666 . . . ?
P1 Cl1 Cl2 Cl1 0.000(2) . . . 26_556 ?
P1 Cl1 Cl2 Cl1 68.9(4) . . . 33_666 ?
P1 Cl1 Cl2 Cl1 -68.9(4) . . . 34_565 ?
C2 N1 C2 C2 -70.5 33 . . 11 ?
C2 N1 C2 C2 125.264(0) 3 . . 9 ?
C2 N1 C2 C2 -109.471(1) 35 . . 31 ?
C2 N1 C2 C2 109.471(1) 9 . . 11 ?
C2 N1 C2 C2 109.471(1) 31 . . 5 ?
C2 N1 C2 C2 0.000(0) 29 . . 11 ?
C2 N1 C2 C2 70.529(1) 35 . . 9 ?
C2 N1 C2 C2 180.000(1) 5 . . 11 ?
C2 N1 C2 C2 0.0 35 . . 5 ?
C2 N1 C2 C2 180.000(0) 35 . . 11 ?
C2 N1 C2 C2 -125.264(1) 27 . . 5 ?
C2 N1 C2 C2 109.471(1) 7 . . 11 ?
C2 N1 C2 C2 180.000(0) 7 . . 31 ?
C2 N1 C2 C2 -70.529(1) 31 . . 11 ?
C2 N1 C2 C2 -54.736(0) 3 . . 31 ?
C2 N1 C2 C2 -125.264(0) 3 . . 11 ?
C2 N1 C2 C2 54.736(0) 27 . . 11 ?
C2 N1 C2 C2 180.000(1) 11 . . 5 ?
C2 N1 C2 C2 0.0 33 . . 31 ?
C2 N1 C2 C2 180.000(0) 9 . . 31 ?
C2 N1 C2 C2 -109.471(1) 29 . . 9 ?
C2 N1 C2 C2 54.736(1) 3 . . 5 ?
C2 N1 C2 C2 109.471(1) 33 . . 5 ?
C2 N1 C2 C2 180.000(0) 33 . . 9 ?
C2 N1 C2 C2 180.000(1) 29 . . 5 ?
C2 N1 C2 C2 70.529(1) 5 . . 9 ?
C2 N1 C2 C2 180.000(0) 31 . . 9 ?
C2 N1 C2 C2 0.0 7 . . 9 ?
C2 N1 C2 C2 -109.471(1) 5 . . 31 ?
C2 N1 C2 C2 -54.736(1) 27 . . 9 ?
C2 N1 C2 C2 -70.529(0) 7 . . 5 ?
C2 N1 C2 C2 -109.5 11 . . 9 ?
C2 N1 C2 C2 125.264(1) 27 . . 31 ?
C2 N1 C2 C2 70.529(1) 11 . . 31 ?
C2 N1 C2 C2 70.529(2) 29 . . 31 ?
C2 N1 C2 C2 -70.529(1) 9 . . 5 ?
C2 N1 C2 C1 -125.264(0) 33 . . 33 ?
C2 N1 C2 C1 180.0 27 . . 25 ?
C2 N1 C2 C1 -54.736(1) 5 . . 25 ?
C2 N1 C2 C1 54.736(0) 31 . . 25 ?
C2 N1 C2 C1 -125.264(0) 9 . . 25 ?
C2 N1 C2 C1 125.264(0) 29 . . 25 ?
C2 N1 C2 C1 -125.3 7 . . 25 ?
C2 N1 C2 C1 54.736(0) 9 . . 33 ?
C2 N1 C2 C1 125.264(0) 11 . . 25 ?
C2 N1 C2 C1 54.736(0) 33 . . 25 ?
C2 N1 C2 C1 54.736(0) 7 . . 33 ?
C2 N1 C2 C1 -54.736(1) 29 . . 33 ?
C2 N1 C2 C1 -125.264(0) 31 . . 33 ?
C2 N1 C2 C1 -54.736(0) 35 . . 25 ?
C2 N1 C2 C1 0.0 27 . . 33 ?
C2 N1 C2 C1 125.264(1) 5 . . 33 ?
C2 N1 C2 C1 180.0 3 . . 33 ?
C2 N1 C2 C1 0.0 3 . . 25 ?
C2 N1 C2 C1 -54.736(0) 11 . . 33 ?
C2 N1 C2 C1 125.264(0) 35 . . 33 ?


_olex2_submission_special_instructions 'No special instructions were received'
_vrf_PLAT088_mo_mje204_dcm_0m    
;
PROBLEM: Poor Data / Parameter Ratio ....................       5.59 Note  
RESPONSE: Numerous disorders in combination with high symmetry. 
;
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
