#------------------------------------------------------------------------------
#$Date: 2025-11-29 22:33:03 +0100 (Sat 29 de Nov de 2025) $
#$Revision: 303851 $
#$URL: svn://www.crystallography.net/cod/cif/1/57/60/1576091.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_1576091
loop_
_publ_author_name
'Zhang, Wanlong'
'Zhang, Yongcheng'
'Chen, Zhiyan'
'Qin, Wei'
_publ_section_title
;
 Abnormal homodirectional responses of magneto-phosphorescence and
 magneto-fluorescence in organic phosphorescent crystals under
 third-component doping.
;
_journal_issue                   45
_journal_name_full               Nanoscale
_journal_page_first              26248
_journal_page_last               26256
_journal_paper_doi               10.1039/d5nr03566j
_journal_volume                  17
_journal_year                    2025
_chemical_formula_moiety         'C8 Cl4 N2, C18 H12'
_chemical_formula_sum            'C26 H12 Cl4 N2'
_chemical_formula_weight         494.18
_chemical_name_systematic        'Tetrachlorophthalonitrile triphenylene'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_block_doi                 10.5517/ccdc.csd.cc2pgqtq
_audit_creation_date             2024-08-29
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_audit_update_record
;
2025-09-10 deposited with the CCDC.	2025-10-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 116.268(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.7668(8)
_cell_length_b                   7.3556(3)
_cell_length_c                   18.3821(8)
_cell_measurement_reflns_used    5766
_cell_measurement_temperature    299.00
_cell_measurement_theta_max      61.093
_cell_measurement_theta_min      4.828
_cell_volume                     2154.20(17)
_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  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      299.00
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0241
_diffrn_reflns_av_unetI/netI     0.0235
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11321
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        61.136
_diffrn_reflns_theta_max         61.136
_diffrn_reflns_theta_min         4.828
_diffrn_source_current           1.1
_diffrn_source_power             0.05500000000000001
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    5.134
_exptl_absorpt_correction_T_max  0.7520
_exptl_absorpt_correction_T_min  0.5282
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1111 before and 0.0384 after correction.
The Ratio of minimum to maximum transmission is 0.7024.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear yellowish'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_description       needle
_exptl_crystal_F_000             1000
_refine_diff_density_max         0.765
_refine_diff_density_min         -0.574
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         3269
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.118
_refine_ls_R_factor_all          0.0722
_refine_ls_R_factor_gt           0.0664
_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)+(0.1225P)²+2.1682P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2001
_refine_ls_wR_factor_ref         0.2075
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2888
_reflns_number_total             3269
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5nr03566j2.cif
_cod_data_source_block           cu_211210h_0m
_cod_depositor_comments
'Adding full bibliography for 1576090--1576091.cif.'
_cod_original_cell_volume        2154.20(16)
_cod_database_code               1576091
_shelx_shelxl_version_number     2018/3
_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. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C00F-C
 1.45 with sigma of 0.01
3. Others
 Sof(Cl00)=Sof(C11)=Sof(N30)=1-FVAR(1)
 Sof(Cl04)=Sof(N2)=Sof(C0)=FVAR(1)
4.a Aromatic/amide H refined with riding coordinates:
 C00H(H00H), C00J(H00J), C00K(H00K), C00M(H00M), C00N(H00N), C00O(H00O),
 C00P(H00P), C00Q(H00Q), C00R(H00R), C00S(H00S), C00T(H00T), C00U(H00U)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Cl01 Cl 0.67849(7) 1.03591(14) 0.35870(5) 0.0665(4) Uani 1 1 d . . . . .
Cl02 Cl 0.87271(8) 1.11799(17) 0.45424(8) 0.0804(4) Uani 1 1 d . . . . .
Cl03 Cl 0.57093(9) 0.90930(18) 0.44759(9) 0.0917(5) Uani 1 1 d . . . . .
Cl04 Cl 0.9652(2) 1.0641(7) 0.6425(3) 0.071(2) Uani 0.638(15) 1 d . . P A 1
C C 0.8583(10) 0.8986(18) 0.7239(4) 0.061(2) Uani 1 1 d D . . . .
Cl00 Cl 0.6546(5) 0.8276(10) 0.6306(7) 0.072(2) Uani 0.362(15) 1 d . . P A 2
C007 C 0.6806(2) 0.4032(4) 0.5490(2) 0.0416(7) Uani 1 1 d . . . . .
C008 C 0.7677(2) 0.4360(4) 0.5953(2) 0.0443(8) Uani 1 1 d . . . . .
C009 C 0.8170(2) 0.5073(4) 0.5555(2) 0.0448(8) Uani 1 1 d . . . . .
C00A C 0.6882(2) 0.5067(4) 0.4237(2) 0.0435(8) Uani 1 1 d . . . . .
C00B C 0.6402(2) 0.4379(4) 0.4621(2) 0.0417(7) Uani 1 1 d . . . . .
C00C C 0.7775(2) 0.5429(4) 0.4713(2) 0.0430(8) Uani 1 1 d . . . . .
C00D C 0.6827(3) 0.9439(5) 0.5018(2) 0.0541(9) Uani 1 1 d . . . . .
C00E C 0.7280(2) 1.0043(4) 0.4615(2) 0.0502(9) Uani 1 1 d . . . . .
C00F C 0.8100(3) 0.9432(5) 0.6283(2) 0.0578(10) Uani 1 1 d D . . . .
C00G C 0.8133(2) 1.0389(5) 0.5043(2) 0.0522(9) Uani 1 1 d . . . . .
C00H C 0.5548(2) 0.4028(5) 0.4142(2) 0.0557(9) Uani 1 1 d . . . . .
H00H H 0.522853 0.356951 0.438652 0.067 Uiso 1 1 calc R U . . .
C00I C 0.7241(3) 0.9121(5) 0.5850(2) 0.0556(10) Uani 1 1 d . . . . .
C00J C 0.6474(3) 0.5369(5) 0.3398(2) 0.0585(9) Uani 1 1 d . . . . .
H00J H 0.678010 0.581959 0.313752 0.070 Uiso 1 1 calc R U . . .
C00K C 0.6353(3) 0.3368(5) 0.5897(2) 0.0562(9) Uani 1 1 d . . . . .
H00K H 0.577967 0.315966 0.560307 0.067 Uiso 1 1 calc R U . . .
C00L C 0.8543(3) 1.0094(5) 0.5880(2) 0.0570(10) Uani 1 1 d . . . . .
C00M C 0.8039(3) 0.3981(6) 0.6787(2) 0.0645(11) Uani 1 1 d . . . . .
H00M H 0.861016 0.418191 0.709721 0.077 Uiso 1 1 calc R U . . .
C00N C 0.8275(3) 0.6133(5) 0.4358(3) 0.0589(10) Uani 1 1 d . . . . .
H00N H 0.802773 0.638329 0.380521 0.071 Uiso 1 1 calc R U . . .
C00O C 0.9036(2) 0.5428(5) 0.5995(3) 0.0620(10) Uani 1 1 d . . . . .
H00O H 0.930300 0.519950 0.654980 0.074 Uiso 1 1 calc R U . . .
C00P C 0.6729(3) 0.3021(6) 0.6711(3) 0.0683(11) Uani 1 1 d . . . . .
H00P H 0.641282 0.257953 0.696199 0.082 Uiso 1 1 calc R U . . .
C00Q C 0.5173(3) 0.4342(6) 0.3326(3) 0.0673(11) Uani 1 1 d . . . . .
H00Q H 0.460433 0.409957 0.302304 0.081 Uiso 1 1 calc R U . . .
C00R C 0.5635(3) 0.5017(6) 0.2951(2) 0.0690(11) Uani 1 1 d . . . . .
H00R H 0.537827 0.523329 0.239544 0.083 Uiso 1 1 calc R U . . .
C00S C 0.7571(3) 0.3320(7) 0.7158(3) 0.0736(12) Uani 1 1 d . . . . .
H00S H 0.782719 0.307629 0.771144 0.088 Uiso 1 1 calc R U . . .
C00T C 0.9487(2) 0.6100(6) 0.5618(3) 0.0695(12) Uani 1 1 d . . . . .
H00T H 1.005793 0.631839 0.591893 0.083 Uiso 1 1 calc R U . . .
C00U C 0.9112(3) 0.6457(5) 0.4808(3) 0.0690(12) Uani 1 1 d . . . . .
H00U H 0.942732 0.692188 0.456044 0.083 Uiso 1 1 calc R U . . .
N1 N 0.8697(8) 0.8952(17) 0.7465(5) 0.084(2) Uani 1 1 d . . . . .
N2 N 0.6518(8) 0.8040(17) 0.6623(8) 0.076(3) Uani 0.638(15) 1 d . . P A 1
C11 C 0.9344(18) 1.040(4) 0.627(2) 0.052(7) Uani 0.362(15) 1 d . . P A 2
N30 N 1.0001(16) 1.062(4) 0.6641(19) 0.081(8) Uani 0.362(15) 1 d . . P A 2
C0 C 0.6859(8) 0.852(2) 0.6320(11) 0.066(4) Uani 0.638(15) 1 d . . P A 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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
C008 C007 C00B 120.4(3) . . ?
C00K C007 C008 118.0(3) . . ?
C00K C007 C00B 121.6(3) . . ?
C007 C008 C009 119.7(3) . . ?
C00M C008 C007 118.2(3) . . ?
C00M C008 C009 122.1(3) . . ?
C00C C009 C008 119.8(3) . . ?
C00O C009 C008 121.4(3) . . ?
C00O C009 C00C 118.8(3) . . ?
C00B C00A C00C 120.1(3) . . ?
C00J C00A C00B 118.1(3) . . ?
C00J C00A C00C 121.8(3) . . ?
C00A C00B C007 119.7(3) . . ?
C00H C00B C007 121.9(3) . . ?
C00H C00B C00A 118.4(3) . . ?
C009 C00C C00A 120.3(3) . . ?
C00N C00C C009 117.7(3) . . ?
C00N C00C C00A 122.0(3) . . ?
C00E C00D Cl03 120.5(3) . . ?
C00E C00D C00I 119.4(4) . . ?
C00I C00D Cl03 120.1(3) . . ?
C00D C00E Cl01 119.9(3) . . ?
C00D C00E C00G 120.1(3) . . ?
C00G C00E Cl01 120.0(3) . . ?
C00I C00F C 120.6(7) . . ?
C00L C00F C 120.1(7) . . ?
C00L C00F C00I 119.4(3) . . ?
C00E C00G Cl02 121.1(3) . . ?
C00E C00G C00L 120.2(4) . . ?
C00L C00G Cl02 118.7(3) . . ?
C00B C00H H00H 119.1 . . ?
C00Q C00H C00B 121.7(4) . . ?
C00Q C00H H00H 119.1 . . ?
C00D C00I Cl00 114.4(5) . . ?
C00D C00I C00F 120.8(4) . . ?
C00F C00I Cl00 124.7(4) . . ?
C0 C00I C00D 124.9(7) . . ?
C0 C00I C00F 114.3(7) . . ?
C00A C00J H00J 119.2 . . ?
C00R C00J C00A 121.7(4) . . ?
C00R C00J H00J 119.2 . . ?
C007 C00K H00K 119.0 . . ?
C00P C00K C007 121.9(4) . . ?
C00P C00K H00K 119.0 . . ?
C00F C00L Cl04 121.1(3) . . ?
C00F C00L C00G 120.0(4) . . ?
C00G C00L Cl04 118.9(3) . . ?
C11 C00L C00F 120.3(19) . . ?
C11 C00L C00G 119.7(18) . . ?
C008 C00M H00M 119.1 . . ?
C00S C00M C008 121.8(4) . . ?
C00S C00M H00M 119.1 . . ?
C00C C00N H00N 119.2 . . ?
C00U C00N C00C 121.5(4) . . ?
C00U C00N H00N 119.2 . . ?
C009 C00O H00O 119.6 . . ?
C00T C00O C009 120.9(4) . . ?
C00T C00O H00O 119.6 . . ?
C00K C00P H00P 119.9 . . ?
C00K C00P C00S 120.2(4) . . ?
C00S C00P H00P 119.9 . . ?
C00H C00Q H00Q 120.0 . . ?
C00H C00Q C00R 120.1(4) . . ?
C00R C00Q H00Q 120.0 . . ?
C00J C00R C00Q 120.0(4) . . ?
C00J C00R H00R 120.0 . . ?
C00Q C00R H00R 120.0 . . ?
C00M C00S H00S 120.1 . . ?
C00P C00S C00M 119.9(4) . . ?
C00P C00S H00S 120.1 . . ?
C00O C00T H00T 119.6 . . ?
C00U C00T C00O 120.9(4) . . ?
C00U C00T H00T 119.6 . . ?
C00N C00U H00U 119.9 . . ?
C00T C00U C00N 120.2(4) . . ?
C00T C00U H00U 119.9 . . ?
N30 C11 C00L 175(5) . . ?
N2 C0 C00I 174.5(16) . . ?
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
Cl01 C00E 1.711(3) . ?
Cl02 C00G 1.778(4) . ?
Cl03 C00D 1.803(4) . ?
Cl04 C00L 1.817(5) . ?
C C00F 1.612(6) . ?
Cl00 C00I 1.879(8) . ?
C007 C008 1.418(5) . ?
C007 C00B 1.456(5) . ?
C007 C00K 1.407(5) . ?
C008 C009 1.465(5) . ?
C008 C00M 1.403(5) . ?
C009 C00C 1.413(5) . ?
C009 C00O 1.410(5) . ?
C00A C00B 1.419(5) . ?
C00A C00C 1.457(5) . ?
C00A C00J 1.402(5) . ?
C00B C00H 1.400(5) . ?
C00C C00N 1.412(5) . ?
C00D C00E 1.387(5) . ?
C00D C00I 1.391(5) . ?
C00E C00G 1.387(5) . ?
C00F C00I 1.394(6) . ?
C00F C00L 1.386(6) . ?
C00G C00L 1.398(5) . ?
C00H H00H 0.9300 . ?
C00H C00Q 1.364(6) . ?
C00I C0 1.386(18) . ?
C00J H00J 0.9300 . ?
C00J C00R 1.371(6) . ?
C00K H00K 0.9300 . ?
C00K C00P 1.365(6) . ?
C00L C11 1.30(3) . ?
C00M H00M 0.9300 . ?
C00M C00S 1.376(6) . ?
C00N H00N 0.9300 . ?
C00N C00U 1.366(6) . ?
C00O H00O 0.9300 . ?
C00O C00T 1.362(6) . ?
C00P H00P 0.9300 . ?
C00P C00S 1.369(6) . ?
C00Q H00Q 0.9300 . ?
C00Q C00R 1.377(6) . ?
C00R H00R 0.9300 . ?
C00S H00S 0.9300 . ?
C00T H00T 0.9300 . ?
C00T C00U 1.361(7) . ?
C00U H00U 0.9300 . ?
N2 C0 1.05(3) . ?
C11 N30 1.07(5) . ?
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
Cl01 C00E C00G Cl02 0.5(4) . . . . ?
Cl01 C00E C00G C00L -178.6(3) . . . . ?
Cl02 C00G C00L Cl04 3.1(5) . . . . ?
Cl02 C00G C00L C00F -178.3(3) . . . . ?
Cl02 C00G C00L C11 -0.1(17) . . . . ?
Cl03 C00D C00E Cl01 -3.1(4) . . . . ?
Cl03 C00D C00E C00G 176.9(3) . . . . ?
Cl03 C00D C00I Cl00 1.5(5) . . . . ?
Cl03 C00D C00I C00F -178.1(3) . . . . ?
Cl03 C00D C00I C0 0.6(9) . . . . ?
C C00F C00I Cl00 2.8(8) . . . . ?
C C00F C00I C00D -177.6(6) . . . . ?
C C00F C00I C0 3.5(10) . . . . ?
C C00F C00L Cl04 -4.8(7) . . . . ?
C C00F C00L C00G 176.6(6) . . . . ?
C C00F C00L C11 -1.5(18) . . . . ?
C007 C008 C009 C00C 0.0(5) . . . . ?
C007 C008 C009 C00O 179.6(3) . . . . ?
C007 C008 C00M C00S -0.4(6) . . . . ?
C007 C00B C00H C00Q -179.5(3) . . . . ?
C007 C00K C00P C00S 0.2(6) . . . . ?
C008 C007 C00B C00A -0.7(4) . . . . ?
C008 C007 C00B C00H 178.4(3) . . . . ?
C008 C007 C00K C00P -0.8(5) . . . . ?
C008 C009 C00C C00A -0.9(5) . . . . ?
C008 C009 C00C C00N 179.3(3) . . . . ?
C008 C009 C00O C00T -179.6(3) . . . . ?
C008 C00M C00S C00P -0.2(7) . . . . ?
C009 C008 C00M C00S 179.7(4) . . . . ?
C009 C00C C00N C00U 0.3(5) . . . . ?
C009 C00O C00T C00U 0.4(6) . . . . ?
C00A C00B C00H C00Q -0.4(5) . . . . ?
C00A C00C C00N C00U -179.5(3) . . . . ?
C00A C00J C00R C00Q -0.3(6) . . . . ?
C00B C007 C008 C009 0.7(5) . . . . ?
C00B C007 C008 C00M -179.1(3) . . . . ?
C00B C007 C00K C00P 179.2(3) . . . . ?
C00B C00A C00C C009 0.9(5) . . . . ?
C00B C00A C00C C00N -179.2(3) . . . . ?
C00B C00A C00J C00R 0.0(5) . . . . ?
C00B C00H C00Q C00R 0.2(6) . . . . ?
C00C C009 C00O C00T 0.0(5) . . . . ?
C00C C00A C00B C007 -0.2(4) . . . . ?
C00C C00A C00B C00H -179.3(3) . . . . ?
C00C C00A C00J C00R 179.6(3) . . . . ?
C00C C00N C00U C00T 0.0(6) . . . . ?
C00D C00E C00G Cl02 -179.5(3) . . . . ?
C00D C00E C00G C00L 1.4(5) . . . . ?
C00E C00D C00I Cl00 -179.1(4) . . . . ?
C00E C00D C00I C00F 1.2(5) . . . . ?
C00E C00D C00I C0 179.9(8) . . . . ?
C00E C00G C00L Cl04 -177.8(3) . . . . ?
C00E C00G C00L C00F 0.8(5) . . . . ?
C00E C00G C00L C11 178.9(17) . . . . ?
C00H C00Q C00R C00J 0.2(7) . . . . ?
C00I C00D C00E Cl01 177.6(3) . . . . ?
C00I C00D C00E C00G -2.4(5) . . . . ?
C00I C00F C00L Cl04 176.6(3) . . . . ?
C00I C00F C00L C00G -2.0(5) . . . . ?
C00I C00F C00L C11 179.9(17) . . . . ?
C00J C00A C00B C007 179.4(3) . . . . ?
C00J C00A C00B C00H 0.3(5) . . . . ?
C00J C00A C00C C009 -178.7(3) . . . . ?
C00J C00A C00C C00N 1.1(5) . . . . ?
C00K C007 C008 C009 -179.2(3) . . . . ?
C00K C007 C008 C00M 0.9(5) . . . . ?
C00K C007 C00B C00A 179.3(3) . . . . ?
C00K C007 C00B C00H -1.6(5) . . . . ?
C00K C00P C00S C00M 0.3(7) . . . . ?
C00L C00F C00I Cl00 -178.6(4) . . . . ?
C00L C00F C00I C00D 1.0(5) . . . . ?
C00L C00F C00I C0 -177.9(8) . . . . ?
C00M C008 C009 C00C 179.9(3) . . . . ?
C00M C008 C009 C00O -0.5(5) . . . . ?
C00O C009 C00C C00A 179.6(3) . . . . ?
C00O C009 C00C C00N -0.3(5) . . . . ?
C00O C00T C00U C00N -0.4(6) . . . . ?
