#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/51/2225140.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2225140
loop_
_publ_author_name
'Fun, Hoong-Kun'
'Chantrapromma, Suchada'
'Maity, Annada C.'
'Goswami, Shyamaprosad'
_publ_section_title
;
 2,9-Bis(trichloromethyl)-1,10-phenanthroline
;
_journal_coeditor_code           WN2373
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o424
_journal_paper_doi               10.1107/S1600536810002035
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C14 H6 Cl6 N2'
_chemical_formula_moiety         'C14 H6 Cl6 N2'
_chemical_formula_sum            'C14 H6 Cl6 N2'
_chemical_formula_weight         414.91
_chemical_name_systematic
;
2,9-Bis(trichloromethyl)-1,10-phenanthroline
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 114.6890(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.3001(6)
_cell_length_b                   6.8825(2)
_cell_length_c                   20.3461(5)
_cell_measurement_reflns_used    13520
_cell_measurement_temperature    100
_cell_measurement_theta_max      35.00
_cell_measurement_theta_min      0.92
_cell_volume                     3091.74(14)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
;
SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)
;
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0539
_diffrn_reflns_av_sigmaI/netI    0.0514
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            63570
_diffrn_reflns_theta_full        35.00
_diffrn_reflns_theta_max         35.00
_diffrn_reflns_theta_min         0.92
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.105
_exptl_absorpt_correction_T_max  0.8984
_exptl_absorpt_correction_T_min  0.5607
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.783
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1648
_exptl_crystal_size_max          0.59
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.597
_refine_diff_density_min         -0.542
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         13520
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0714
_refine_ls_R_factor_gt           0.0417
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0401P)²+1.5309P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0891
_refine_ls_wR_factor_ref         0.1052
_reflns_number_gt                9474
_reflns_number_total             13520
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            wn2373.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2225140
_cod_database_fobs_code          2225140
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_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
Cl Cl1A 0.334774(19) 0.88628(7) 0.25606(2) 0.02086(9) Uani d . 1 . .
Cl Cl2A 0.242550(19) 0.81155(7) 0.30569(2) 0.02246(9) Uani d . 1 . .
Cl Cl3A 0.301547(19) 0.49030(6) 0.26994(2) 0.01983(9) Uani d . 1 . .
Cl Cl4A 0.55485(2) 0.64013(8) 0.29133(3) 0.02921(11) Uani d . 1 . .
Cl Cl5A 0.679947(19) 0.72747(7) 0.37576(2) 0.02217(9) Uani d . 1 . .
Cl Cl6A 0.59362(2) 1.03890(7) 0.31954(3) 0.02459(10) Uani d . 1 . .
N N1A 0.41730(6) 0.7423(2) 0.39518(8) 0.0142(3) Uani d . 1 . .
N N2A 0.53663(6) 0.7752(2) 0.41504(8) 0.0150(3) Uani d . 1 . .
C C1A 0.36107(7) 0.7161(2) 0.38719(9) 0.0148(3) Uani d . 1 . .
C C2A 0.34427(8) 0.6758(3) 0.44406(9) 0.0170(3) Uani d . 1 . .
H H2AA 0.3041 0.6512 0.4352 0.020 Uiso calc R 1 . .
C C3A 0.38910(8) 0.6741(3) 0.51314(10) 0.0164(3) Uani d . 1 . .
H H3AA 0.3795 0.6497 0.5521 0.020 Uiso calc R 1 . .
C C4A 0.44947(7) 0.7094(2) 0.52491(9) 0.0150(3) Uani d . 1 . .
C C5A 0.49733(8) 0.7192(2) 0.59632(9) 0.0164(3) Uani d . 1 . .
H H5AA 0.4888 0.6984 0.6363 0.020 Uiso calc R 1 . .
C C6A 0.55494(8) 0.7584(2) 0.60616(9) 0.0165(3) Uani d . 1 . .
H H6AA 0.5852 0.7696 0.6528 0.020 Uiso calc R 1 . .
C C7A 0.56969(7) 0.7830(2) 0.54558(9) 0.0145(3) Uani d . 1 . .
C C8A 0.62916(7) 0.8199(2) 0.55361(9) 0.0165(3) Uani d . 1 . .
H H8AA 0.6601 0.8368 0.5995 0.020 Uiso calc R 1 . .
C C9A 0.64155(8) 0.8310(3) 0.49404(10) 0.0170(3) Uani d . 1 . .
H H9AA 0.6805 0.8572 0.4985 0.020 Uiso calc R 1 . .
C C10A 0.59347(7) 0.8014(2) 0.42572(9) 0.0150(3) Uani d . 1 . .
C C11A 0.52411(7) 0.7680(2) 0.47387(9) 0.0138(3) Uani d . 1 . .
C C12A 0.46148(7) 0.7381(2) 0.46339(9) 0.0133(3) Uani d . 1 . .
C C13A 0.31304(7) 0.7276(2) 0.30927(9) 0.0155(3) Uani d . 1 . .
C C14A 0.60462(7) 0.8011(3) 0.35693(9) 0.0161(3) Uani d . 1 . .
Cl Cl1B 0.83130(2) 0.36601(7) 0.57545(3) 0.02271(9) Uani d . 1 . .
Cl Cl2B 0.74008(2) 0.25940(8) 0.43624(3) 0.02710(11) Uani d . 1 . .
Cl Cl3B 0.807802(19) -0.03889(6) 0.53631(2) 0.02007(9) Uani d . 1 . .
Cl Cl4B 1.05051(2) 0.13826(8) 0.76066(2) 0.02696(11) Uani d . 1 . .
Cl Cl5B 1.177123(19) 0.19488(7) 0.80031(2) 0.02159(9) Uani d . 1 . .
Cl Cl6B 1.09840(2) 0.52724(7) 0.77611(2) 0.02242(9) Uani d . 1 . .
N N1B 0.91644(6) 0.2259(2) 0.52083(8) 0.0149(3) Uani d . 1 . .
N N2B 1.03543(6) 0.2648(2) 0.62009(8) 0.0143(3) Uani d . 1 . .
C C1B 0.86038(7) 0.1972(2) 0.47266(9) 0.0150(3) Uani d . 1 . .
C C2B 0.84362(8) 0.1635(3) 0.39875(9) 0.0175(3) Uani d . 1 . .
H H2BA 0.8037 0.1363 0.3676 0.021 Uiso calc R 1 . .
C C3B 0.88840(8) 0.1721(3) 0.37394(9) 0.0170(3) Uani d . 1 . .
H H3BA 0.8789 0.1524 0.3252 0.020 Uiso calc R 1 . .
C C4B 0.94853(7) 0.2108(2) 0.42278(9) 0.0149(3) Uani d . 1 . .
C C5B 0.99605(8) 0.2322(2) 0.39896(9) 0.0163(3) Uani d . 1 . .
H H5BA 0.9876 0.2163 0.3503 0.020 Uiso calc R 1 . .
C C6B 1.05313(8) 0.2754(3) 0.44695(10) 0.0170(3) Uani d . 1 . .
H H6BA 1.0831 0.2953 0.4305 0.020 Uiso calc R 1 . .
C C7B 1.06805(7) 0.2908(2) 0.52255(9) 0.0148(3) Uani d . 1 . .
C C8B 1.12731(8) 0.3302(2) 0.57408(10) 0.0166(3) Uani d . 1 . .
H H8BA 1.1580 0.3539 0.5591 0.020 Uiso calc R 1 . .
C C9B 1.13989(8) 0.3336(3) 0.64646(10) 0.0171(3) Uani d . 1 . .
H H9BA 1.1786 0.3611 0.6811 0.021 Uiso calc R 1 . .
C C10B 1.09210(7) 0.2938(2) 0.66644(9) 0.0146(3) Uani d . 1 . .
C C11B 1.02291(7) 0.2647(2) 0.54862(9) 0.0139(3) Uani d . 1 . .
C C12B 0.96058(7) 0.2317(2) 0.49680(9) 0.0137(3) Uani d . 1 . .
C C13B 0.81276(7) 0.1983(3) 0.50346(9) 0.0159(3) Uani d . 1 . .
C C14B 1.10337(7) 0.2871(3) 0.74605(9) 0.0159(3) Uani d . 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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 0.0061 0.0033 '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'
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
C1A N1A C12A . . 117.40(15) ?
C10A N2A C11A . . 117.80(14) ?
N1A C1A C2A . . 124.57(15) ?
N1A C1A C13A . . 115.06(15) ?
C2A C1A C13A . . 120.35(15) ?
C3A C2A C1A . . 117.74(15) ?
C3A C2A H2AA . . 121.1 ?
C1A C2A H2AA . . 121.1 ?
C2A C3A C4A . . 119.90(16) ?
C2A C3A H3AA . . 120.0 ?
C4A C3A H3AA . . 120.0 ?
C3A C4A C12A . . 117.41(15) ?
C3A C4A C5A . . 121.86(16) ?
C12A C4A C5A . . 120.72(15) ?
C6A C5A C4A . . 120.61(16) ?
C6A C5A H5AA . . 119.7 ?
C4A C5A H5AA . . 119.7 ?
C5A C6A C7A . . 120.75(16) ?
C5A C6A H6AA . . 119.6 ?
C7A C6A H6AA . . 119.6 ?
C8A C7A C11A . . 117.04(16) ?
C8A C7A C6A . . 122.40(15) ?
C11A C7A C6A . . 120.55(15) ?
C9A C8A C7A . . 120.16(16) ?
C9A C8A H8AA . . 119.9 ?
C7A C8A H8AA . . 119.9 ?
C8A C9A C10A . . 117.89(16) ?
C8A C9A H9AA . . 121.1 ?
C10A C9A H9AA . . 121.1 ?
N2A C10A C9A . . 124.26(16) ?
N2A C10A C14A . . 114.98(14) ?
C9A C10A C14A . . 120.75(15) ?
N2A C11A C7A . . 122.63(15) ?
N2A C11A C12A . . 118.78(14) ?
C7A C11A C12A . . 118.57(15) ?
N1A C12A C4A . . 122.83(15) ?
N1A C12A C11A . . 118.56(15) ?
C4A C12A C11A . . 118.60(14) ?
C1A C13A Cl1A . . 111.92(12) ?
C1A C13A Cl2A . . 111.35(12) ?
Cl1A C13A Cl2A . . 107.65(9) ?
C1A C13A Cl3A . . 109.01(11) ?
Cl1A C13A Cl3A . . 108.73(9) ?
Cl2A C13A Cl3A . . 108.08(9) ?
C10A C14A Cl4A . . 111.35(12) ?
C10A C14A Cl6A . . 109.72(12) ?
Cl4A C14A Cl6A . . 108.72(9) ?
C10A C14A Cl5A . . 111.23(11) ?
Cl4A C14A Cl5A . . 107.56(10) ?
Cl6A C14A Cl5A . . 108.16(9) ?
C1B N1B C12B . . 117.69(15) ?
C10B N2B C11B . . 117.80(15) ?
N1B C1B C2B . . 124.64(16) ?
N1B C1B C13B . . 114.72(15) ?
C2B C1B C13B . . 120.63(15) ?
C3B C2B C1B . . 117.71(16) ?
C3B C2B H2BA . . 121.1 ?
C1B C2B H2BA . . 121.1 ?
C2B C3B C4B . . 119.67(16) ?
C2B C3B H3BA . . 120.2 ?
C4B C3B H3BA . . 120.2 ?
C3B C4B C12B . . 117.55(16) ?
C3B C4B C5B . . 121.71(16) ?
C12B C4B C5B . . 120.73(15) ?
C6B C5B C4B . . 120.36(16) ?
C6B C5B H5BA . . 119.8 ?
C4B C5B H5BA . . 119.8 ?
C5B C6B C7B . . 121.01(16) ?
C5B C6B H6BA . . 119.5 ?
C7B C6B H6BA . . 119.5 ?
C8B C7B C11B . . 117.17(16) ?
C8B C7B C6B . . 122.41(16) ?
C11B C7B C6B . . 120.41(15) ?
C9B C8B C7B . . 120.10(16) ?
C9B C8B H8BA . . 119.9 ?
C7B C8B H8BA . . 119.9 ?
C8B C9B C10B . . 117.73(15) ?
C8B C9B H9BA . . 121.1 ?
C10B C9B H9BA . . 121.1 ?
N2B C10B C9B . . 124.30(16) ?
N2B C10B C14B . . 115.15(15) ?
C9B C10B C14B . . 120.54(15) ?
N2B C11B C7B . . 122.70(15) ?
N2B C11B C12B . . 118.42(15) ?
C7B C11B C12B . . 118.86(15) ?
N1B C12B C4B . . 122.58(15) ?
N1B C12B C11B . . 118.99(15) ?
C4B C12B C11B . . 118.42(15) ?
C1B C13B Cl1B . . 111.59(12) ?
C1B C13B Cl2B . . 111.42(12) ?
Cl1B C13B Cl2B . . 108.11(9) ?
C1B C13B Cl3B . . 109.25(11) ?
Cl1B C13B Cl3B . . 108.67(9) ?
Cl2B C13B Cl3B . . 107.68(9) ?
C10B C14B Cl4B . . 112.10(11) ?
C10B C14B Cl5B . . 110.87(12) ?
Cl4B C14B Cl5B . . 107.66(9) ?
C10B C14B Cl6B . . 109.13(12) ?
Cl4B C14B Cl6B . . 108.79(9) ?
Cl5B C14B Cl6B . . 108.17(9) ?
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
Cl1A C13A . 1.7667(18) ?
Cl2A C13A . 1.7800(17) ?
Cl3A C13A . 1.7887(18) ?
Cl4A C14A . 1.7673(18) ?
Cl5A C14A . 1.7800(17) ?
Cl6A C14A . 1.7772(18) ?
N1A C1A . 1.319(2) ?
N1A C12A . 1.354(2) ?
N2A C10A . 1.318(2) ?
N2A C11A . 1.353(2) ?
C1A C2A . 1.406(2) ?
C1A C13A . 1.529(2) ?
C2A C3A . 1.372(2) ?
C2A H2AA . 0.9300 ?
C3A C4A . 1.405(2) ?
C3A H3AA . 0.9300 ?
C4A C12A . 1.413(2) ?
C4A C5A . 1.434(2) ?
C5A C6A . 1.356(2) ?
C5A H5AA . 0.9300 ?
C6A C7A . 1.430(2) ?
C6A H6AA . 0.9300 ?
C7A C8A . 1.408(2) ?
C7A C11A . 1.420(2) ?
C8A C9A . 1.368(3) ?
C8A H8AA . 0.9300 ?
C9A C10A . 1.408(2) ?
C9A H9AA . 0.9300 ?
C10A C14A . 1.533(2) ?
C11A C12A . 1.461(2) ?
Cl1B C13B . 1.7690(18) ?
Cl2B C13B . 1.7746(17) ?
Cl3B C13B . 1.7870(18) ?
Cl4B C14B . 1.7625(18) ?
Cl5B C14B . 1.7834(17) ?
Cl6B C14B . 1.7839(18) ?
N1B C1B . 1.319(2) ?
N1B C12B . 1.352(2) ?
N2B C10B . 1.319(2) ?
N2B C11B . 1.355(2) ?
C1B C2B . 1.403(2) ?
C1B C13B . 1.529(2) ?
C2B C3B . 1.379(3) ?
C2B H2BA . 0.9300 ?
C3B C4B . 1.408(2) ?
C3B H3BA . 0.9300 ?
C4B C12B . 1.416(2) ?
C4B C5B . 1.434(2) ?
C5B C6B . 1.354(2) ?
C5B H5BA . 0.9300 ?
C6B C7B . 1.429(2) ?
C6B H6BA . 0.9300 ?
C7B C8B . 1.409(2) ?
C7B C11B . 1.415(2) ?
C8B C9B . 1.373(3) ?
C8B H8BA . 0.9300 ?
C9B C10B . 1.408(2) ?
C9B H9BA . 0.9300 ?
C10B C14B . 1.526(2) ?
C11B C12B . 1.457(2) ?
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
C12A N1A C1A C2A . . . . -3.0(2) ?
C12A N1A C1A C13A . . . . 178.49(14) ?
N1A C1A C2A C3A . . . . 3.8(3) ?
C13A C1A C2A C3A . . . . -177.75(15) ?
C1A C2A C3A C4A . . . . -0.8(3) ?
C2A C3A C4A C12A . . . . -2.4(2) ?
C2A C3A C4A C5A . . . . 176.67(16) ?
C3A C4A C5A C6A . . . . -178.26(16) ?
C12A C4A C5A C6A . . . . 0.8(3) ?
C4A C5A C6A C7A . . . . -2.6(3) ?
C5A C6A C7A C8A . . . . -178.65(17) ?
C5A C6A C7A C11A . . . . 0.5(3) ?
C11A C7A C8A C9A . . . . -3.0(2) ?
C6A C7A C8A C9A . . . . 176.17(16) ?
C7A C8A C9A C10A . . . . -1.0(3) ?
C11A N2A C10A C9A . . . . -2.9(3) ?
C11A N2A C10A C14A . . . . 178.02(14) ?
C8A C9A C10A N2A . . . . 4.2(3) ?
C8A C9A C10A C14A . . . . -176.80(16) ?
C10A N2A C11A C7A . . . . -1.5(2) ?
C10A N2A C11A C12A . . . . -179.67(15) ?
C8A C7A C11A N2A . . . . 4.4(2) ?
C6A C7A C11A N2A . . . . -174.77(15) ?
C8A C7A C11A C12A . . . . -177.43(15) ?
C6A C7A C11A C12A . . . . 3.4(2) ?
C1A N1A C12A C4A . . . . -0.7(2) ?
C1A N1A C12A C11A . . . . -179.56(15) ?
C3A C4A C12A N1A . . . . 3.3(2) ?
C5A C4A C12A N1A . . . . -175.76(15) ?
C3A C4A C12A C11A . . . . -177.82(15) ?
C5A C4A C12A C11A . . . . 3.1(2) ?
N2A C11A C12A N1A . . . . -8.0(2) ?
C7A C11A C12A N1A . . . . 173.80(15) ?
N2A C11A C12A C4A . . . . 173.16(15) ?
C7A C11A C12A C4A . . . . -5.1(2) ?
N1A C1A C13A Cl1A . . . . -30.18(18) ?
C2A C1A C13A Cl1A . . . . 151.19(14) ?
N1A C1A C13A Cl2A . . . . -150.73(13) ?
C2A C1A C13A Cl2A . . . . 30.6(2) ?
N1A C1A C13A Cl3A . . . . 90.12(16) ?
C2A C1A C13A Cl3A . . . . -88.50(17) ?
N2A C10A C14A Cl4A . . . . -33.57(19) ?
C9A C10A C14A Cl4A . . . . 147.36(14) ?
N2A C10A C14A Cl6A . . . . 86.84(16) ?
C9A C10A C14A Cl6A . . . . -92.23(17) ?
N2A C10A C14A Cl5A . . . . -153.53(13) ?
C9A C10A C14A Cl5A . . . . 27.4(2) ?
C12B N1B C1B C2B . . . . 3.0(2) ?
C12B N1B C1B C13B . . . . -178.33(14) ?
N1B C1B C2B C3B . . . . -3.9(3) ?
C13B C1B C2B C3B . . . . 177.48(15) ?
C1B C2B C3B C4B . . . . 0.9(3) ?
C2B C3B C4B C12B . . . . 2.5(2) ?
C2B C3B C4B C5B . . . . -176.39(16) ?
C3B C4B C5B C6B . . . . 177.95(17) ?
C12B C4B C5B C6B . . . . -0.9(3) ?
C4B C5B C6B C7B . . . . 3.2(3) ?
C5B C6B C7B C8B . . . . 178.21(17) ?
C5B C6B C7B C11B . . . . -1.2(3) ?
C11B C7B C8B C9B . . . . 2.8(2) ?
C6B C7B C8B C9B . . . . -176.64(16) ?
C7B C8B C9B C10B . . . . 0.9(3) ?
C11B N2B C10B C9B . . . . 3.1(2) ?
C11B N2B C10B C14B . . . . -178.51(14) ?
C8B C9B C10B N2B . . . . -4.1(3) ?
C8B C9B C10B C14B . . . . 177.53(16) ?
C10B N2B C11B C7B . . . . 1.2(2) ?
C10B N2B C11B C12B . . . . 179.64(15) ?
C8B C7B C11B N2B . . . . -4.0(2) ?
C6B C7B C11B N2B . . . . 175.45(15) ?
C8B C7B C11B C12B . . . . 177.49(15) ?
C6B C7B C11B C12B . . . . -3.0(2) ?
C1B N1B C12B C4B . . . . 0.9(2) ?
C1B N1B C12B C11B . . . . 179.52(15) ?
C3B C4B C12B N1B . . . . -3.6(2) ?
C5B C4B C12B N1B . . . . 175.35(15) ?
C3B C4B C12B C11B . . . . 177.77(15) ?
C5B C4B C12B C11B . . . . -3.3(2) ?
N2B C11B C12B N1B . . . . 7.9(2) ?
C7B C11B C12B N1B . . . . -173.53(15) ?
N2B C11B C12B C4B . . . . -173.35(15) ?
C7B C11B C12B C4B . . . . 5.2(2) ?
N1B C1B C13B Cl1B . . . . 34.79(18) ?
C2B C1B C13B Cl1B . . . . -146.50(14) ?
N1B C1B C13B Cl2B . . . . 155.75(13) ?
C2B C1B C13B Cl2B . . . . -25.5(2) ?
N1B C1B C13B Cl3B . . . . -85.40(16) ?
C2B C1B C13B Cl3B . . . . 93.31(17) ?
N2B C10B C14B Cl4B . . . . 27.50(19) ?
C9B C10B C14B Cl4B . . . . -154.01(14) ?
N2B C10B C14B Cl5B . . . . 147.86(13) ?
C9B C10B C14B Cl5B . . . . -33.7(2) ?
N2B C10B C14B Cl6B . . . . -93.09(15) ?
C9B C10B C14B Cl6B . . . . 85.40(17) ?
