#------------------------------------------------------------------------------
#$Date: 2024-12-06 17:28:05 +0200 (Fri, 06 Dec 2024) $
#$Revision: 296316 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/38/7133878.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_7133878
loop_
_publ_author_name
'Ernst, Moritz J.'
'Kleoff, Merlin'
'Voßnacker, Patrick'
'Thiele, Günther'
'Müller, Christian'
'Riedel, Sebastian'
_publ_section_title
;
 A polychloride-enabled synthesis of [NEt₃Me][PCl₆]
 serving as a potential PCl₃-storage and
 PCl₅-reagent.
;
_journal_issue                   91
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              13372
_journal_page_last               13375
_journal_paper_doi               10.1039/d4cc04319g
_journal_volume                  60
_journal_year                    2024
_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_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      cubic
_space_group_IT_number           221
_space_group_name_Hall           '-P 4 2 3'
_space_group_name_H-M_alt        'P m -3 m'
_audit_creation_date             2024-09-20
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_audit_update_record
;
2024-09-23 deposited with the CCDC.	2024-10-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   7.2009(9)
_cell_length_b                   7.2009(9)
_cell_length_c                   7.2009(9)
_cell_measurement_reflns_used    1133
_cell_measurement_temperature    100
_cell_measurement_theta_max      23.83
_cell_measurement_theta_min      2.83
_cell_volume                     373.39(8)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_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)'
_diffrn_ambient_temperature      100.00
_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_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
_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_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.520
_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
_refine_diff_density_max         0.308
_refine_diff_density_min         -0.411
_refine_diff_density_rms         0.092
_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_restrained_S_all      1.233
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0552
_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
_reflns_Friedel_coverage         0.000
_reflns_number_gt                77
_reflns_number_total             95
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4cc04319g2.cif
_cod_data_source_block           mo_mje204_dcm_0m
_cod_depositor_comments          'Adding full bibliography for 7133878.cif.'
_cod_original_cell_volume        373.39(14)
_cod_database_code               7133878
_shelx_shelxl_version_number     2019/1
_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.
;
_olex2_refinement_description
;
1. Others
 Fixed Sof: Cl1(0.03125) Cl2(0.09375) C2(0.083325) C1(0.0625)
;
_olex2_submission_special_instructions 'No special instructions were received'
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'
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 . .
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'
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_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_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 ?
