#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:53:43 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179352 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/49/4324929.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_4324929
loop_
_publ_author_name
'Alexander Himmelspach'
'Manfred Zähres'
'Maik Finze'
_publ_contact_author_address
;    Institut für Anorganische Chemie und Strukturchemie II
     Heinrich Heine Universität Düsseldorf
     Universitätsstrasse 1
     D-40225 Düsseldorf
     Germany
;
_publ_contact_author_email       maik.finze@uni-duesseldorf.de
_publ_contact_author_fax         '049 211 81 14146'
_publ_contact_author_name        'Maik Finze'
_publ_contact_author_phone       '049 211 81 13144'
_publ_section_title
;
 Salts of the Lewis-Acidic Dianion [Hg(closo-1-CB11F11)2]2-: Coordination
 of Acetonitrile and Water
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3186
_journal_page_last               3188
_journal_paper_doi               10.1021/ic200330d
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C4 H3 B22 F22 Hg N, 2(C8 H20 N) '
_chemical_formula_sum            'C20 H43 B22 F22 Hg N3'
_chemical_formula_weight         1181.98
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           8
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 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                 131.437(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.6852(19)
_cell_length_b                   16.0034(7)
_cell_length_c                   11.2335(13)
_cell_measurement_reflns_used    7301
_cell_measurement_temperature    290(2)
_cell_measurement_theta_max      27.1769
_cell_measurement_theta_min      3.4834
_cell_volume                     2248.7(8)
_computing_cell_refinement
;
CrysAlisPro Version 1.171.33.52 (Oxford Diffraction Ltd., 2009)

;
_computing_data_collection
;
CrysAlisPro Version 1.171.33.52 (Oxford Diffraction Ltd., 2009)
;
_computing_data_reduction
;
CrysAlisPro Version 1.171.33.52 (Oxford Diffraction Ltd., 2009)
;
_computing_molecular_graphics    'Diamond 3.1f (Brandenburg, 1999-2010)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      290(2)
_diffrn_detector_area_resol_mean 16.2711
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0254
_diffrn_reflns_av_sigmaI/netI    0.0356
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7689
_diffrn_reflns_theta_full        27.25
_diffrn_reflns_theta_max         27.25
_diffrn_reflns_theta_min         3.51
_exptl_absorpt_coefficient_mu    3.539
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.58005
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.746
_exptl_crystal_description       block
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.792
_refine_diff_density_min         -1.197
_refine_diff_density_rms         0.073
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.221(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         4276
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0264
_refine_ls_R_factor_gt           0.0263
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0386P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0593
_refine_ls_wR_factor_ref         0.0595
_reflns_number_gt                4271
_reflns_number_total             4276
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic200330d_si_002.cif
_cod_data_source_block           '[Et4N]2[Hg(closo-1-CB11F11)2NCMe]'
_cod_original_sg_symbol_H-M      'C m'
_cod_database_code               4324929
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Hg1 Hg 0.3538 0.5000 0.0771 0.03055(7) Uani 1 2 d S
C1 C 0.4848(7) 0.5000 0.0871(11) 0.028(2) Uani 1 2 d S
B1 B 0.1342(5) 0.5566(4) 0.0060(8) 0.0343(14) Uani 1 1 d .
F1 F 0.1049(3) 0.5993(2) -0.1195(4) 0.0480(7) Uani 1 1 d .
B2 B 0.2485(6) 0.5911(4) 0.2033(8) 0.0361(14) Uani 1 1 d .
F2 F 0.3058(3) 0.65726(19) 0.2193(4) 0.0548(8) Uani 1 1 d .
B3 B 0.3196(6) 0.5000 0.3238(9) 0.0361(16) Uani 1 2 d S
F3 F 0.4276(3) 0.5000 0.4298(5) 0.0552(11) Uani 1 2 d S
B4 B 0.0489(8) 0.5000 0.0225(13) 0.039(2) Uani 1 2 d S
F4 F -0.0598(4) 0.5000 -0.0994(6) 0.0521(11) Uani 1 2 d S
B5 B 0.1198(6) 0.5914(6) 0.1405(10) 0.0373(19) Uani 1 1 d .
F5 F 0.0670(6) 0.6626(4) 0.1194(9) 0.0580(16) Uani 1 1 d .
B6 B 0.2354(5) 0.5564(4) 0.3402(7) 0.0447(13) Uani 1 1 d .
F6 F 0.2734(3) 0.6015(3) 0.4709(4) 0.0668(10) Uani 1 1 d .
B7 B 0.1110(8) 0.5000 0.2247(14) 0.039(2) Uani 1 2 d S
F7 F 0.0512(4) 0.5000 0.2678(6) 0.0601(12) Uani 1 2 d S
C2 C 0.2525(8) 0.5000 0.1181(13) 0.037(3) Uani 1 2 d S
B8 B 0.6029(6) 0.5000 0.2803(9) 0.0440(19) Uani 1 2 d S
F8 F 0.6034(4) 0.5000 0.4011(5) 0.0607(12) Uani 1 2 d S
B9 B 0.5566(5) 0.4103(5) 0.1570(9) 0.0378(15) Uani 1 1 d .
F9 F 0.5214(3) 0.3436(2) 0.1848(5) 0.0647(10) Uani 1 1 d .
B10 B 0.4829(5) 0.4438(4) -0.0433(7) 0.0312(12) Uani 1 1 d .
F10 F 0.3962(3) 0.4009(2) -0.1611(4) 0.0543(8) Uani 1 1 d .
B11 B 0.6924(4) 0.4437(5) 0.2758(7) 0.0476(15) Uani 1 1 d .
F11 F 0.7774(3) 0.3993(3) 0.4027(4) 0.0847(14) Uani 1 1 d .
B12 B 0.6184(7) 0.4077(6) 0.0749(10) 0.041(2) Uani 1 1 d .
F12 F 0.6421(6) 0.3355(4) 0.0402(9) 0.066(2) Uani 1 1 d .
B13 B 0.5715(8) 0.5000 -0.0505(12) 0.036(2) Uani 1 2 d S
F13 F 0.5640(4) 0.5000 -0.1796(6) 0.0485(10) Uani 1 2 d S
B14 B 0.6999(9) 0.5000 0.1478(12) 0.040(2) Uani 1 2 d S
F14 F 0.7913(4) 0.5000 0.1697(6) 0.0617(13) Uani 1 2 d S
N1 N 0.1917(3) 0.2093(2) 0.7021(5) 0.0395(9) Uani 1 1 d .
C3 C 0.1124(7) 0.5000 -0.3460(10) 0.0515(18) Uani 1 2 d S
C4 C -0.0004(8) 0.5000 -0.4774(13) 0.089(4) Uani 1 2 d S
H4A H -0.0249 0.4436 -0.5111 0.133 Uiso 0.50 1 calc PR
H4B H -0.0159 0.5313 -0.5634 0.133 Uiso 0.50 1 calc PR
H4C H -0.0361 0.5251 -0.4458 0.133 Uiso 0.50 1 calc PR
N2 N 0.2007(6) 0.5000 -0.2414(8) 0.0528(16) Uani 1 2 d S
C5 C 0.2507(5) 0.1618(4) 0.6659(9) 0.0581(15) Uani 1 1 d .
H5A H 0.2023 0.1522 0.5522 0.070 Uiso 1 1 calc R
H5B H 0.2700 0.1076 0.7170 0.070 Uiso 1 1 calc R
C6 C 0.3509(6) 0.2029(5) 0.7167(9) 0.0658(17) Uani 1 1 d .
H6A H 0.3324 0.2546 0.6603 0.099 Uiso 1 1 calc R
H6B H 0.3846 0.1664 0.6934 0.099 Uiso 1 1 calc R
H6C H 0.3992 0.2138 0.8288 0.099 Uiso 1 1 calc R
C7 C 0.2629(5) 0.2269(5) 0.8789(7) 0.0627(16) Uani 1 1 d .
H7A H 0.3199 0.2641 0.9100 0.075 Uiso 1 1 calc R
H7B H 0.2211 0.2559 0.8974 0.075 Uiso 1 1 calc R
C8 C 0.3121(7) 0.1509(7) 0.9837(10) 0.103(3) Uani 1 1 d .
H8A H 0.2572 0.1109 0.9473 0.155 Uiso 1 1 calc R
H8B H 0.3477 0.1667 1.0909 0.155 Uiso 1 1 calc R
H8C H 0.3629 0.1265 0.9797 0.155 Uiso 1 1 calc R
C9 C 0.1579(5) 0.2939(4) 0.6227(7) 0.0537(13) Uani 1 1 d .
H9A H 0.1237 0.3243 0.6533 0.064 Uiso 1 1 calc R
H9B H 0.2216 0.3248 0.6628 0.064 Uiso 1 1 calc R
C10 C 0.0830(7) 0.2923(6) 0.4442(9) 0.086(2) Uani 1 1 d .
H10A H 0.1156 0.2622 0.4119 0.129 Uiso 1 1 calc R
H10B H 0.0681 0.3485 0.4046 0.129 Uiso 1 1 calc R
H10C H 0.0176 0.2653 0.4023 0.129 Uiso 1 1 calc R
C11 C 0.0951(5) 0.1575(4) 0.6423(9) 0.0590(16) Uani 1 1 d .
H11A H 0.0559 0.1436 0.5319 0.071 Uiso 1 1 calc R
H11B H 0.1204 0.1055 0.7015 0.071 Uiso 1 1 calc R
C12 C 0.0190(6) 0.1971(5) 0.6535(9) 0.0694(18) Uani 1 1 d .
H12A H 0.0577 0.2163 0.7601 0.104 Uiso 1 1 calc R
H12B H -0.0335 0.1568 0.6260 0.104 Uiso 1 1 calc R
H12C H -0.0159 0.2436 0.5817 0.104 Uiso 1 1 calc R
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Hg Hg -2.3894 9.2266 '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'
H H 0.0000 0.0000 '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
C2 Hg1 C1 167.9(4) . .
C2 Hg1 N2 95.8(3) . .
C1 Hg1 N2 96.3(3) . .
B9 C1 B9 115.9(7) 2_565 .
B9 C1 B10 63.6(4) 2_565 2_565
B9 C1 B10 116.8(6) . 2_565
B9 C1 B10 116.8(6) 2_565 .
B9 C1 B10 63.6(4) . .
B10 C1 B10 63.8(5) 2_565 .
B9 C1 B8 62.9(4) 2_565 .
B9 C1 B8 62.9(4) . .
B10 C1 B8 116.2(5) 2_565 .
B10 C1 B8 116.2(5) . .
B9 C1 Hg1 114.5(4) 2_565 .
B9 C1 Hg1 114.5(4) . .
B10 C1 Hg1 121.7(5) 2_565 .
B10 C1 Hg1 121.7(5) . .
B8 C1 Hg1 110.5(5) . .
F1 B1 C2 118.6(6) . .
F1 B1 B5 125.4(5) . .
C2 B1 B5 106.1(6) . .
F1 B1 B4 127.3(6) . .
C2 B1 B4 105.0(5) . .
B5 B1 B4 60.4(4) . .
F1 B1 B2 119.4(5) . .
C2 B1 B2 59.9(4) . .
B5 B1 B2 59.1(4) . .
B4 B1 B2 107.0(5) . .
F1 B1 B1 120.8(3) . 2_565
C2 B1 B1 58.5(3) . 2_565
B5 B1 B1 108.3(4) . 2_565
B4 B1 B1 59.7(3) . 2_565
B2 B1 B1 107.8(3) . 2_565
F2 B2 B5 128.0(6) . .
F2 B2 C2 116.1(5) . .
B5 B2 C2 104.9(6) . .
F2 B2 B6 127.5(5) . .
B5 B2 B6 62.1(4) . .
C2 B2 B6 106.3(5) . .
F2 B2 B3 118.5(5) . .
B5 B2 B3 109.0(5) . .
C2 B2 B3 59.8(4) . .
B6 B2 B3 59.6(4) . .
F2 B2 B1 118.7(5) . .
B5 B2 B1 59.5(4) . .
C2 B2 B1 58.1(4) . .
B6 B2 B1 109.3(5) . .
B3 B2 B1 108.1(5) . .
F3 B3 C2 118.1(6) . .
F3 B3 B6 126.4(5) . .
C2 B3 B6 105.8(5) . .
F3 B3 B6 126.4(5) . 2_565
C2 B3 B6 105.8(5) . 2_565
B6 B3 B6 61.0(5) . 2_565
F3 B3 B2 119.6(4) . 2_565
C2 B3 B2 59.2(3) . 2_565
B6 B3 B2 108.4(5) . 2_565
B6 B3 B2 59.6(3) 2_565 2_565
F3 B3 B2 119.6(4) . .
C2 B3 B2 59.2(3) . .
B6 B3 B2 59.6(3) . .
B6 B3 B2 108.4(5) 2_565 .
B2 B3 B2 108.2(6) 2_565 .
F4 B4 B7 123.2(8) . .
F4 B4 B5 121.8(4) . .
B7 B4 B5 60.8(4) . .
F4 B4 B5 121.8(4) . 2_565
B7 B4 B5 60.8(4) . 2_565
B5 B4 B5 109.3(8) . 2_565
F4 B4 B1 120.8(6) . 2_565
B7 B4 B1 107.6(6) . 2_565
B5 B4 B1 107.9(6) . 2_565
B5 B4 B1 59.0(4) 2_565 2_565
F4 B4 B1 120.8(6) . .
B7 B4 B1 107.6(6) . .
B5 B4 B1 59.0(4) . .
B5 B4 B1 107.9(6) 2_565 .
B1 B4 B1 60.6(5) 2_565 .
F5 B5 B2 123.3(7) . .
F5 B5 B1 123.5(7) . .
B2 B5 B1 61.5(4) . .
F5 B5 B4 121.3(6) . .
B2 B5 B4 109.0(6) . .
B1 B5 B4 60.5(5) . .
F5 B5 B7 120.2(7) . .
B2 B5 B7 106.8(6) . .
B1 B5 B7 107.3(6) . .
B4 B5 B7 58.8(5) . .
F5 B5 B6 120.4(7) . .
B2 B5 B6 59.4(4) . .
B1 B5 B6 108.8(5) . .
B4 B5 B6 107.5(6) . .
B7 B5 B6 59.5(5) . .
F6 B6 B2 122.1(5) . .
F6 B6 B3 123.1(5) . .
B2 B6 B3 60.8(3) . .
F6 B6 B7 122.4(5) . .
B2 B6 B7 106.0(5) . .
B3 B6 B7 106.5(4) . .
F6 B6 B6 122.1(3) . 2_565
B2 B6 B6 108.2(3) . 2_565
B3 B6 B6 59.5(2) . 2_565
B7 B6 B6 59.9(3) . 2_565
F6 B6 B5 121.5(5) . .
B2 B6 B5 58.5(4) . .
B3 B6 B5 107.0(5) . .
B7 B6 B5 59.5(4) . .
B6 B6 B5 107.9(3) 2_565 .
F7 B7 B4 120.8(8) . .
F7 B7 B5 121.2(4) . 2_565
B4 B7 B5 60.4(5) . 2_565
F7 B7 B5 121.2(4) . .
B4 B7 B5 60.4(5) . .
B5 B7 B5 108.7(8) 2_565 .
F7 B7 B6 120.5(7) . .
B4 B7 B6 110.0(6) . .
B5 B7 B6 109.3(6) 2_565 .
B5 B7 B6 61.0(4) . .
F7 B7 B6 120.5(7) . 2_565
B4 B7 B6 110.0(6) . 2_565
B5 B7 B6 61.0(4) 2_565 2_565
B5 B7 B6 109.3(6) . 2_565
B6 B7 B6 60.2(5) . 2_565
B1 C2 B1 62.9(5) 2_565 .
B1 C2 B2 113.0(7) 2_565 .
B1 C2 B2 62.0(4) . .
B1 C2 B2 62.0(4) 2_565 2_565
B1 C2 B2 113.0(7) . 2_565
B2 C2 B2 111.0(8) . 2_565
B1 C2 B3 112.2(7) 2_565 .
B1 C2 B3 112.2(7) . .
B2 C2 B3 61.0(4) . .
B2 C2 B3 61.0(4) 2_565 .
B1 C2 Hg1 123.7(6) 2_565 .
B1 C2 Hg1 123.7(6) . .
B2 C2 Hg1 117.3(4) . .
B2 C2 Hg1 117.3(4) 2_565 .
B3 C2 Hg1 113.1(5) . .
F8 B8 C1 120.6(6) . .
F8 B8 B11 125.7(5) . 2_565
C1 B8 B11 104.4(5) . 2_565
F8 B8 B11 125.7(5) . .
C1 B8 B11 104.4(5) . .
B11 B8 B11 61.1(5) 2_565 .
F8 B8 B9 119.6(4) . .
C1 B8 B9 58.0(3) . .
B11 B8 B9 109.1(5) 2_565 .
B11 B8 B9 60.5(3) . .
F8 B8 B9 119.6(4) . 2_565
C1 B8 B9 58.0(3) . 2_565
B11 B8 B9 60.5(3) 2_565 2_565
B11 B8 B9 109.1(5) . 2_565
B9 B8 B9 107.7(6) . 2_565
F9 B9 C1 119.6(5) . .
F9 B9 B8 119.2(6) . .
C1 B9 B8 59.0(4) . .
F9 B9 B12 126.2(6) . .
C1 B9 B12 104.8(6) . .
B8 B9 B12 108.7(6) . .
F9 B9 B11 126.4(6) . .
C1 B9 B11 104.5(5) . .
B8 B9 B11 59.6(4) . .
B12 B9 B11 60.8(4) . .
F9 B9 B10 119.1(6) . .
C1 B9 B10 58.4(4) . .
B8 B9 B10 108.7(5) . .
B12 B9 B10 60.5(4) . .
B11 B9 B10 109.1(5) . .
F10 B10 C1 121.1(5) . .
F10 B10 B13 127.1(5) . .
C1 B10 B13 103.3(5) . .
F10 B10 B9 119.0(5) . .
C1 B10 B9 58.0(4) . .
B13 B10 B9 108.0(5) . .
F10 B10 B10 121.0(3) . 2_565
C1 B10 B10 58.1(3) . 2_565
B13 B10 B10 59.6(2) . 2_565
B9 B10 B10 107.5(3) . 2_565
F10 B10 B12 125.0(5) . .
C1 B10 B12 103.7(5) . .
B13 B10 B12 61.3(4) . .
B9 B10 B12 59.5(4) . .
B10 B10 B12 108.8(4) 2_565 .
F11 B11 B14 121.9(5) . .
F11 B11 B8 123.1(5) . .
B14 B11 B8 106.2(5) . .
F11 B11 B9 123.3(6) . .
B14 B11 B9 106.4(5) . .
B8 B11 B9 59.9(3) . .
F11 B11 B11 121.3(4) . 2_565
B14 B11 B11 59.4(3) . 2_565
B8 B11 B11 59.5(3) . 2_565
B9 B11 B11 107.4(3) . 2_565
F11 B11 B12 121.0(6) . .
B14 B11 B12 60.3(4) . .
B8 B11 B12 107.8(5) . .
B9 B11 B12 59.4(4) . .
B11 B11 B12 108.6(4) 2_565 .
F12 B12 B9 123.1(7) . .
F12 B12 B14 123.6(7) . .
B9 B12 B14 105.5(6) . .
F12 B12 B10 121.6(7) . .
B9 B12 B10 59.9(4) . .
B14 B12 B10 105.9(6) . .
F12 B12 B11 122.8(7) . .
B9 B12 B11 59.8(4) . .
B14 B12 B11 58.8(5) . .
B10 B12 B11 107.8(5) . .
F12 B12 B13 121.7(7) . .
B9 B12 B13 106.4(6) . .
B14 B12 B13 59.6(5) . .
B10 B12 B13 58.8(4) . .
B11 B12 B13 107.2(6) . .
F13 B13 B10 123.5(6) . .
F13 B13 B10 123.5(6) . 2_565
B10 B13 B10 60.8(5) . 2_565
F13 B13 B14 120.7(7) . .
B10 B13 B14 106.8(6) . .
B10 B13 B14 106.8(6) 2_565 .
F13 B13 B12 120.6(4) . 2_565
B10 B13 B12 108.6(6) . 2_565
B10 B13 B12 59.9(4) 2_565 2_565
B14 B13 B12 59.5(4) . 2_565
F13 B13 B12 120.6(4) . .
B10 B13 B12 59.9(4) . .
B10 B13 B12 108.6(6) 2_565 .
B14 B13 B12 59.5(4) . .
B12 B13 B12 108.4(8) 2_565 .
F14 B14 B11 121.4(6) . .
F14 B14 B11 121.4(6) . 2_565
B11 B14 B11 61.2(6) . 2_565
F14 B14 B12 119.8(5) . .
B11 B14 B12 60.9(4) . .
B11 B14 B12 110.5(7) 2_565 .
F14 B14 B12 119.8(5) . 2_565
B11 B14 B12 110.5(7) . 2_565
B11 B14 B12 60.9(4) 2_565 2_565
B12 B14 B12 110.6(8) . 2_565
F14 B14 B13 119.5(7) . .
B11 B14 B13 109.8(6) . .
B11 B14 B13 109.8(6) 2_565 .
B12 B14 B13 60.9(4) . .
B12 B14 B13 60.9(4) 2_565 .
C5 N1 C9 110.5(5) . .
C5 N1 C11 107.4(4) . .
C9 N1 C11 110.9(5) . .
C5 N1 C7 111.3(5) . .
C9 N1 C7 105.6(4) . .
C11 N1 C7 111.3(5) . .
N2 C3 C4 179.0(10) . .
C3 C4 H4A 109.5 . .
C3 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C3 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C3 N2 Hg1 145.7(7) . .
N1 C5 C6 115.9(5) . .
N1 C5 H5A 108.3 . .
C6 C5 H5A 108.3 . .
N1 C5 H5B 108.3 . .
C6 C5 H5B 108.3 . .
H5A C5 H5B 107.4 . .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C8 C7 N1 115.0(7) . .
C8 C7 H7A 108.5 . .
N1 C7 H7A 108.5 . .
C8 C7 H7B 108.5 . .
N1 C7 H7B 108.5 . .
H7A C7 H7B 107.5 . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C10 C9 N1 115.3(6) . .
C10 C9 H9A 108.4 . .
N1 C9 H9A 108.4 . .
C10 C9 H9B 108.4 . .
N1 C9 H9B 108.4 . .
H9A C9 H9B 107.5 . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C12 C11 N1 116.3(6) . .
C12 C11 H11A 108.2 . .
N1 C11 H11A 108.2 . .
C12 C11 H11B 108.2 . .
N1 C11 H11B 108.2 . .
H11A C11 H11B 107.4 . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Hg1 C2 2.025(12) .
Hg1 C1 2.113(8) .
Hg1 N2 2.689(7) .
C1 B9 1.695(8) 2_565
C1 B9 1.695(8) .
C1 B10 1.702(9) 2_565
C1 B10 1.702(9) .
C1 B8 1.713(12) .
B1 F1 1.334(7) .
B1 C2 1.736(10) .
B1 B5 1.770(11) .
B1 B4 1.797(11) .
B1 B2 1.806(10) .
B1 B1 1.812(14) 2_565
B2 F2 1.356(8) .
B2 B5 1.762(10) .
B2 C2 1.769(10) .
B2 B6 1.780(9) .
B2 B3 1.800(8) .
B3 F3 1.351(9) .
B3 C2 1.780(14) .
B3 B6 1.780(9) .
B3 B6 1.780(9) 2_565
B3 B2 1.800(8) 2_565
B4 F4 1.370(10) .
B4 B7 1.765(16) .
B4 B5 1.794(11) .
B4 B5 1.794(11) 2_565
B4 B1 1.797(11) 2_565
B5 F5 1.362(11) .
B5 B7 1.800(11) .
B5 B6 1.828(10) .
B6 F6 1.358(7) .
B6 B7 1.801(11) .
B6 B6 1.806(13) 2_565
B7 F7 1.368(12) .
B7 B5 1.800(11) 2_565
B7 B6 1.801(11) 2_565
C2 B1 1.736(10) 2_565
C2 B2 1.769(10) 2_565
B8 F8 1.351(9) .
B8 B11 1.773(9) 2_565
B8 B11 1.773(9) .
B8 B9 1.779(9) .
B8 B9 1.779(9) 2_565
B9 F9 1.351(8) .
B9 B12 1.781(11) .
B9 B11 1.788(9) .
B9 B10 1.789(10) .
B10 F10 1.335(7) .
B10 B13 1.778(10) .
B10 B10 1.799(13) 2_565
B10 B12 1.799(10) .
B11 F11 1.369(7) .
B11 B14 1.770(11) .
B11 B11 1.801(15) 2_565
B11 B12 1.807(11) .
B12 F12 1.359(12) .
B12 B14 1.797(12) .
B12 B13 1.823(11) .
B13 F13 1.370(10) .
B13 B10 1.778(10) 2_565
B13 B14 1.799(15) .
B13 B12 1.823(11) 2_565
B14 F14 1.375(12) .
B14 B11 1.770(11) 2_565
B14 B12 1.797(12) 2_565
N1 C5 1.497(7) .
N1 C9 1.512(7) .
N1 C11 1.516(7) .
N1 C7 1.520(7) .
C3 N2 1.122(10) .
C3 C4 1.430(13) .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 C6 1.514(9) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 C8 1.503(11) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 C10 1.505(10) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 C12 1.497(10) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
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_4
C2 Hg1 C1 B9 -68.7(5) . 2_565
N2 Hg1 C1 B9 111.3(5) . 2_565
C2 Hg1 C1 B9 68.7(5) . .
N2 Hg1 C1 B9 -111.3(5) . .
C2 Hg1 C1 B10 -141.6(4) . 2_565
N2 Hg1 C1 B10 38.4(4) . 2_565
C2 Hg1 C1 B10 141.6(4) . .
N2 Hg1 C1 B10 -38.4(4) . .
C2 Hg1 C1 B8 0.0 . .
N2 Hg1 C1 B8 180.000(1) . .
F1 B1 B2 F2 -3.6(8) . .
C2 B1 B2 F2 104.4(6) . .
B5 B1 B2 F2 -119.5(6) . .
B4 B1 B2 F2 -157.7(5) . .
B1 B1 B2 F2 139.4(4) 2_565 .
F1 B1 B2 B5 115.9(6) . .
C2 B1 B2 B5 -136.1(6) . .
B4 B1 B2 B5 -38.2(5) . .
B1 B1 B2 B5 -101.1(4) 2_565 .
F1 B1 B2 C2 -108.0(7) . .
B5 B1 B2 C2 136.1(6) . .
B4 B1 B2 C2 97.8(6) . .
B1 B1 B2 C2 34.9(5) 2_565 .
F1 B1 B2 B6 154.5(5) . .
C2 B1 B2 B6 -97.5(6) . .
B5 B1 B2 B6 38.5(5) . .
B4 B1 B2 B6 0.3(6) . .
B1 B1 B2 B6 -62.6(4) 2_565 .
F1 B1 B2 B3 -142.2(5) . .
C2 B1 B2 B3 -34.2(5) . .
B5 B1 B2 B3 101.8(6) . .
B4 B1 B2 B3 63.6(5) . .
B1 B1 B2 B3 0.7(4) 2_565 .
F2 B2 B3 F3 1.7(9) . .
B5 B2 B3 F3 -156.4(6) . .
C2 B2 B3 F3 107.0(7) . .
B6 B2 B3 F3 -117.2(6) . .
B1 B2 B3 F3 140.5(5) . .
F2 B2 B3 C2 -105.2(6) . .
B5 B2 B3 C2 96.6(6) . .
B6 B2 B3 C2 135.8(6) . .
B1 B2 B3 C2 33.5(5) . .
F2 B2 B3 B6 119.0(6) . .
B5 B2 B3 B6 -39.2(5) . .
C2 B2 B3 B6 -135.8(6) . .
B1 B2 B3 B6 -102.3(5) . .
F2 B2 B3 B6 156.9(5) . 2_565
B5 B2 B3 B6 -1.2(7) . 2_565
C2 B2 B3 B6 -97.8(6) . 2_565
B6 B2 B3 B6 38.0(4) . 2_565
B1 B2 B3 B6 -64.3(6) . 2_565
F2 B2 B3 B2 -139.9(4) . 2_565
B5 B2 B3 B2 61.9(7) . 2_565
C2 B2 B3 B2 -34.7(6) . 2_565
B6 B2 B3 B2 101.1(5) . 2_565
B1 B2 B3 B2 -1.1(7) . 2_565
F1 B1 B4 F4 -2.9(9) . .
C2 B1 B4 F4 -148.8(6) . .
B5 B1 B4 F4 111.0(6) . .
B2 B1 B4 F4 148.6(5) . .
B1 B1 B4 F4 -110.3(6) 2_565 .
F1 B1 B4 B7 -151.9(5) . .
C2 B1 B4 B7 62.2(6) . .
B5 B1 B4 B7 -38.0(4) . .
B2 B1 B4 B7 -0.4(5) . .
B1 B1 B4 B7 100.7(4) 2_565 .
F1 B1 B4 B5 -113.9(7) . .
C2 B1 B4 B5 100.2(6) . .
B2 B1 B4 B5 37.6(5) . .
B1 B1 B4 B5 138.7(5) 2_565 .
F1 B1 B4 B5 144.0(6) . 2_565
C2 B1 B4 B5 -1.9(8) . 2_565
B5 B1 B4 B5 -102.1(8) . 2_565
B2 B1 B4 B5 -64.5(7) . 2_565
B1 B1 B4 B5 36.5(4) 2_565 2_565
F1 B1 B4 B1 107.4(5) . 2_565
C2 B1 B4 B1 -38.5(6) . 2_565
B5 B1 B4 B1 -138.7(5) . 2_565
B2 B1 B4 B1 -101.0(4) . 2_565
F2 B2 B5 F5 -9.0(12) . .
C2 B2 B5 F5 -150.9(8) . .
B6 B2 B5 F5 108.3(8) . .
B3 B2 B5 F5 146.4(7) . .
B1 B2 B5 F5 -113.3(9) . .
F2 B2 B5 B1 104.3(7) . .
C2 B2 B5 B1 -37.6(5) . .
B6 B2 B5 B1 -138.3(5) . .
B3 B2 B5 B1 -100.3(5) . .
F2 B2 B5 B4 143.1(7) . .
C2 B2 B5 B4 1.3(8) . .
B6 B2 B5 B4 -99.5(6) . .
B3 B2 B5 B4 -61.4(7) . .
B1 B2 B5 B4 38.8(5) . .
F2 B2 B5 B7 -154.8(7) . .
C2 B2 B5 B7 63.4(7) . .
B6 B2 B5 B7 -37.4(5) . .
B3 B2 B5 B7 0.7(7) . .
B1 B2 B5 B7 100.9(6) . .
F2 B2 B5 B6 -117.4(7) . .
C2 B2 B5 B6 100.8(6) . .
B3 B2 B5 B6 38.1(5) . .
B1 B2 B5 B6 138.3(5) . .
F1 B1 B5 F5 6.8(10) . .
C2 B1 B5 F5 151.6(7) . .
B4 B1 B5 F5 -110.0(8) . .
B2 B1 B5 F5 112.9(8) . .
B1 B1 B5 F5 -146.9(6) 2_565 .
F1 B1 B5 B2 -106.1(7) . .
C2 B1 B5 B2 38.7(5) . .
B4 B1 B5 B2 137.1(6) . .
B1 B1 B5 B2 100.2(4) 2_565 .
F1 B1 B5 B4 116.8(7) . .
C2 B1 B5 B4 -98.5(5) . .
B2 B1 B5 B4 -137.1(6) . .
B1 B1 B5 B4 -36.9(4) 2_565 .
F1 B1 B5 B7 153.8(6) . .
C2 B1 B5 B7 -61.4(6) . .
B4 B1 B5 B7 37.0(5) . .
B2 B1 B5 B7 -100.1(6) . .
B1 B1 B5 B7 0.1(5) 2_565 .
F1 B1 B5 B6 -143.3(6) . .
C2 B1 B5 B6 1.5(7) . .
B4 B1 B5 B6 99.9(6) . .
B2 B1 B5 B6 -37.2(5) . .
B1 B1 B5 B6 63.0(5) 2_565 .
F4 B4 B5 F5 4.3(13) . .
B7 B4 B5 F5 -108.7(9) . .
B5 B4 B5 F5 -146.6(6) 2_565 .
B1 B4 B5 F5 150.7(7) 2_565 .
B1 B4 B5 F5 113.5(8) . .
F4 B4 B5 B2 -148.5(8) . .
B7 B4 B5 B2 98.5(6) . .
B5 B4 B5 B2 60.6(9) 2_565 .
B1 B4 B5 B2 -2.0(8) 2_565 .
B1 B4 B5 B2 -39.2(5) . .
F4 B4 B5 B1 -109.2(9) . .
B7 B4 B5 B1 137.8(6) . .
B5 B4 B5 B1 99.8(7) 2_565 .
B1 B4 B5 B1 37.2(5) 2_565 .
F4 B4 B5 B7 113.0(10) . .
B5 B4 B5 B7 -37.9(7) 2_565 .
B1 B4 B5 B7 -100.6(6) 2_565 .
B1 B4 B5 B7 -137.8(6) . .
F4 B4 B5 B6 148.6(7) . .
B7 B4 B5 B6 35.6(6) . .
B5 B4 B5 B6 -2.3(10) 2_565 .
B1 B4 B5 B6 -64.9(7) 2_565 .
B1 B4 B5 B6 -102.1(5) . .
F2 B2 B6 F6 8.4(9) . .
B5 B2 B6 F6 -109.8(6) . .
C2 B2 B6 F6 151.6(6) . .
B3 B2 B6 F6 112.7(6) . .
B1 B2 B6 F6 -147.1(5) . .
F2 B2 B6 B3 -104.3(7) . .
B5 B2 B6 B3 137.5(5) . .
C2 B2 B6 B3 38.9(5) . .
B1 B2 B6 B3 100.1(5) . .
F2 B2 B6 B7 155.5(5) . .
B5 B2 B6 B7 37.3(5) . .
C2 B2 B6 B7 -61.3(6) . .
B3 B2 B6 B7 -100.2(4) . .
B1 B2 B6 B7 -0.1(6) . .
F2 B2 B6 B6 -141.6(5) . 2_565
B5 B2 B6 B6 100.2(4) . 2_565
C2 B2 B6 B6 1.6(5) . 2_565
B3 B2 B6 B6 -37.3(3) . 2_565
B1 B2 B6 B6 62.9(4) . 2_565
F2 B2 B6 B5 118.2(7) . .
C2 B2 B6 B5 -98.6(6) . .
B3 B2 B6 B5 -137.5(5) . .
B1 B2 B6 B5 -37.3(5) . .
F3 B3 B6 F6 -5.1(8) . .
C2 B3 B6 F6 -149.8(5) . .
B6 B3 B6 F6 110.6(5) 2_565 .
B2 B3 B6 F6 148.0(6) 2_565 .
B2 B3 B6 F6 -111.3(7) . .
F3 B3 B6 B2 106.2(5) . .
C2 B3 B6 B2 -38.5(4) . .
B6 B3 B6 B2 -138.1(4) 2_565 .
B2 B3 B6 B2 -100.7(6) 2_565 .
F3 B3 B6 B7 -154.3(5) . .
C2 B3 B6 B7 60.9(5) . .
B6 B3 B6 B7 -38.7(5) 2_565 .
B2 B3 B6 B7 -1.3(6) 2_565 .
B2 B3 B6 B7 99.5(5) . .
F3 B3 B6 B6 -115.7(6) . 2_565
C2 B3 B6 B6 99.6(3) . 2_565
B2 B3 B6 B6 37.4(3) 2_565 2_565
B2 B3 B6 B6 138.1(4) . 2_565
F3 B3 B6 B5 143.3(5) . .
C2 B3 B6 B5 -1.5(5) . .
B6 B3 B6 B5 -101.1(4) 2_565 .
B2 B3 B6 B5 -63.7(6) 2_565 .
B2 B3 B6 B5 37.0(5) . .
F5 B5 B6 F6 -2.3(10) . .
B2 B5 B6 F6 110.8(6) . .
B1 B5 B6 F6 148.9(6) . .
B4 B5 B6 F6 -147.0(6) . .
B7 B5 B6 F6 -111.6(6) . .
F5 B5 B6 B2 -113.1(8) . .
B1 B5 B6 B2 38.1(5) . .
B4 B5 B6 B2 102.2(7) . .
B7 B5 B6 B2 137.5(6) . .
F5 B5 B6 B3 -151.2(6) . .
B2 B5 B6 B3 -38.1(4) . .
B1 B5 B6 B3 0.0(6) . .
B4 B5 B6 B3 64.1(6) . .
B7 B5 B6 B3 99.4(5) . .
F5 B5 B6 B7 109.4(8) . .
B2 B5 B6 B7 -137.5(6) . .
B1 B5 B6 B7 -99.4(6) . .
B4 B5 B6 B7 -35.4(6) . .
F5 B5 B6 B6 146.1(6) . 2_565
B2 B5 B6 B6 -100.8(4) . 2_565
B1 B5 B6 B6 -62.7(5) . 2_565
B4 B5 B6 B6 1.4(6) . 2_565
B7 B5 B6 B6 36.7(4) . 2_565
F4 B4 B7 F7 0.0 . .
B5 B4 B7 F7 110.8(4) . .
B5 B4 B7 F7 -110.8(4) 2_565 .
B1 B4 B7 F7 -148.1(3) 2_565 .
B1 B4 B7 F7 148.1(3) . .
F4 B4 B7 B5 110.8(4) . 2_565
B5 B4 B7 B5 -138.3(7) . 2_565
B1 B4 B7 B5 -37.2(4) 2_565 2_565
B1 B4 B7 B5 -101.1(6) . 2_565
F4 B4 B7 B5 -110.8(4) . .
B5 B4 B7 B5 138.3(7) 2_565 .
B1 B4 B7 B5 101.1(6) 2_565 .
B1 B4 B7 B5 37.2(4) . .
F4 B4 B7 B6 -147.8(3) . .
B5 B4 B7 B6 -36.9(4) . .
B5 B4 B7 B6 101.4(5) 2_565 .
B1 B4 B7 B6 64.2(4) 2_565 .
B1 B4 B7 B6 0.3(5) . .
F4 B4 B7 B6 147.8(3) . 2_565
B5 B4 B7 B6 -101.4(5) . 2_565
B5 B4 B7 B6 36.9(4) 2_565 2_565
B1 B4 B7 B6 -0.3(5) 2_565 2_565
B1 B4 B7 B6 -64.2(4) . 2_565
F5 B5 B7 F7 0.4(13) . .
B2 B5 B7 F7 147.5(8) . .
B1 B5 B7 F7 -147.9(8) . .
B4 B5 B7 F7 -110.1(10) . .
B6 B5 B7 F7 110.1(9) . .
F5 B5 B7 B4 110.5(8) . .
B2 B5 B7 B4 -102.4(7) . .
B1 B5 B7 B4 -37.8(5) . .
B6 B5 B7 B4 -139.8(6) . .
F5 B5 B7 B5 148.2(6) . 2_565
B2 B5 B7 B5 -64.8(8) . 2_565
B1 B5 B7 B5 -0.1(9) . 2_565
B4 B5 B7 B5 37.7(7) . 2_565
B6 B5 B7 B5 -102.2(6) . 2_565
F5 B5 B7 B6 -109.6(8) . .
B2 B5 B7 B6 37.4(5) . .
B1 B5 B7 B6 102.0(5) . .
B4 B5 B7 B6 139.8(6) . .
F5 B5 B7 B6 -146.9(7) . 2_565
B2 B5 B7 B6 0.2(8) . 2_565
B1 B5 B7 B6 64.8(7) . 2_565
B4 B5 B7 B6 102.6(7) . 2_565
B6 B5 B7 B6 -37.2(5) . 2_565
F6 B6 B7 F7 -1.0(9) . .
B2 B6 B7 F7 -148.0(5) . .
B3 B6 B7 F7 148.5(5) . .
B6 B6 B7 F7 110.0(7) 2_565 .
B5 B6 B7 F7 -111.2(6) . .
F6 B6 B7 B4 146.8(5) . .
B2 B6 B7 B4 -0.1(5) . .
B3 B6 B7 B4 -63.7(5) . .
B6 B6 B7 B4 -102.2(5) 2_565 .
B5 B6 B7 B4 36.7(5) . .
F6 B6 B7 B5 -148.6(6) . 2_565
B2 B6 B7 B5 64.5(7) . 2_565
B3 B6 B7 B5 0.9(8) . 2_565
B6 B6 B7 B5 -37.6(4) 2_565 2_565
B5 B6 B7 B5 101.3(9) . 2_565
F6 B6 B7 B5 110.1(7) . .
B2 B6 B7 B5 -36.8(5) . .
B3 B6 B7 B5 -100.4(5) . .
B6 B6 B7 B5 -138.8(5) 2_565 .
F6 B6 B7 B6 -111.0(5) . 2_565
B2 B6 B7 B6 102.0(4) . 2_565
B3 B6 B7 B6 38.5(5) . 2_565
B5 B6 B7 B6 138.8(5) . 2_565
F1 B1 C2 B1 -110.4(5) . 2_565
B5 B1 C2 B1 102.0(5) . 2_565
B4 B1 C2 B1 39.0(6) . 2_565
B2 B1 C2 B1 140.3(5) . 2_565
F1 B1 C2 B2 109.3(6) . .
B5 B1 C2 B2 -38.3(5) . .
B4 B1 C2 B2 -101.2(5) . .
B1 B1 C2 B2 -140.3(5) 2_565 .
F1 B1 C2 B2 -148.3(6) . 2_565
B5 B1 C2 B2 64.2(7) . 2_565
B4 B1 C2 B2 1.2(8) . 2_565
B2 B1 C2 B2 102.4(8) . 2_565
B1 B1 C2 B2 -37.8(4) 2_565 2_565
F1 B1 C2 B3 145.1(5) . .
B5 B1 C2 B3 -2.5(6) . .
B4 B1 C2 B3 -65.5(5) . .
B2 B1 C2 B3 35.8(4) . .
B1 B1 C2 B3 -104.5(5) 2_565 .
F1 B1 C2 Hg1 3.7(8) . .
B5 B1 C2 Hg1 -143.9(5) . .
B4 B1 C2 Hg1 153.1(4) . .
B2 B1 C2 Hg1 -105.7(4) . .
B1 B1 C2 Hg1 114.1(6) 2_565 .
F2 B2 C2 B1 -147.2(6) . 2_565
B5 B2 C2 B1 0.0(8) . 2_565
B6 B2 C2 B1 64.8(7) . 2_565
B3 B2 C2 B1 103.6(7) . 2_565
B1 B2 C2 B1 -38.2(5) . 2_565
F2 B2 C2 B1 -109.0(6) . .
B5 B2 C2 B1 38.2(5) . .
B6 B2 C2 B1 103.0(5) . .
B3 B2 C2 B1 141.8(6) . .
F2 B2 C2 B2 145.3(5) . 2_565
B5 B2 C2 B2 -67.5(8) . 2_565
B6 B2 C2 B2 -2.7(9) . 2_565
B3 B2 C2 B2 36.1(6) . 2_565
B1 B2 C2 B2 -105.7(7) . 2_565
F2 B2 C2 B3 109.2(6) . .
B5 B2 C2 B3 -103.6(6) . .
B6 B2 C2 B3 -38.8(5) . .
B1 B2 C2 B3 -141.8(6) . .
F2 B2 C2 Hg1 6.6(9) . .
B5 B2 C2 Hg1 153.8(5) . .
B6 B2 C2 Hg1 -141.4(5) . .
B3 B2 C2 Hg1 -102.6(6) . .
B1 B2 C2 Hg1 115.6(7) . .
F3 B3 C2 B1 145.7(4) . 2_565
B6 B3 C2 B1 -66.2(4) . 2_565
B6 B3 C2 B1 -2.5(5) 2_565 2_565
B2 B3 C2 B1 36.2(4) 2_565 2_565
B2 B3 C2 B1 -104.9(6) . 2_565
F3 B3 C2 B1 -145.7(4) . .
B6 B3 C2 B1 2.5(5) . .
B6 B3 C2 B1 66.2(4) 2_565 .
B2 B3 C2 B1 104.9(6) 2_565 .
B2 B3 C2 B1 -36.2(4) . .
F3 B3 C2 B2 -109.5(3) . .
B6 B3 C2 B2 38.7(4) . .
B6 B3 C2 B2 102.3(5) 2_565 .
B2 B3 C2 B2 141.0(7) 2_565 .
F3 B3 C2 B2 109.5(3) . 2_565
B6 B3 C2 B2 -102.3(5) . 2_565
B6 B3 C2 B2 -38.7(4) 2_565 2_565
B2 B3 C2 B2 -141.0(7) . 2_565
F3 B3 C2 Hg1 0.0 . .
B6 B3 C2 Hg1 148.2(3) . .
B6 B3 C2 Hg1 -148.2(3) 2_565 .
B2 B3 C2 Hg1 -109.5(3) 2_565 .
B2 B3 C2 Hg1 109.5(3) . .
C1 Hg1 C2 B1 -141.1(5) . 2_565
N2 Hg1 C2 B1 38.9(5) . 2_565
C1 Hg1 C2 B1 141.1(5) . .
N2 Hg1 C2 B1 -38.9(5) . .
C1 Hg1 C2 B2 68.0(6) . .
N2 Hg1 C2 B2 -112.0(6) . .
C1 Hg1 C2 B2 -68.0(6) . 2_565
N2 Hg1 C2 B2 112.0(6) . 2_565
C1 Hg1 C2 B3 0.0 . .
N2 Hg1 C2 B3 180.000(1) . .
B9 C1 B8 F8 107.8(3) 2_565 .
B9 C1 B8 F8 -107.8(3) . .
B10 C1 B8 F8 143.9(4) 2_565 .
B10 C1 B8 F8 -143.9(4) . .
Hg1 C1 B8 F8 0.0 . .
B9 C1 B8 B11 -40.5(4) 2_565 2_565
B9 C1 B8 B11 103.8(5) . 2_565
B10 C1 B8 B11 -4.4(5) 2_565 2_565
B10 C1 B8 B11 67.7(4) . 2_565
Hg1 C1 B8 B11 -148.4(3) . 2_565
B9 C1 B8 B11 -103.8(5) 2_565 .
B9 C1 B8 B11 40.5(4) . .
B10 C1 B8 B11 -67.7(4) 2_565 .
B10 C1 B8 B11 4.4(5) . .
Hg1 C1 B8 B11 148.4(3) . .
B9 C1 B8 B9 -144.3(7) 2_565 .
B10 C1 B8 B9 -108.2(6) 2_565 .
B10 C1 B8 B9 -36.1(4) . .
Hg1 C1 B8 B9 107.8(3) . .
B9 C1 B8 B9 144.3(7) . 2_565
B10 C1 B8 B9 36.1(4) 2_565 2_565
B10 C1 B8 B9 108.2(6) . 2_565
Hg1 C1 B8 B9 -107.8(3) . 2_565
B9 C1 B9 F9 143.6(5) 2_565 .
B10 C1 B9 F9 -144.4(6) 2_565 .
B10 C1 B9 F9 -107.9(7) . .
B8 C1 B9 F9 108.3(7) . .
Hg1 C1 B9 F9 6.8(9) . .
B9 C1 B9 B8 35.3(7) 2_565 .
B10 C1 B9 B8 107.3(6) 2_565 .
B10 C1 B9 B8 143.8(5) . .
Hg1 C1 B9 B8 -101.5(6) . .
B9 C1 B9 B12 -67.9(9) 2_565 .
B10 C1 B9 B12 4.0(8) 2_565 .
B10 C1 B9 B12 40.6(5) . .
B8 C1 B9 B12 -103.2(6) . .
Hg1 C1 B9 B12 155.3(5) . .
B9 C1 B9 B11 -4.8(9) 2_565 .
B10 C1 B9 B11 67.1(7) 2_565 .
B10 C1 B9 B11 103.7(5) . .
B8 C1 B9 B11 -40.1(5) . .
Hg1 C1 B9 B11 -141.6(4) . .
B9 C1 B9 B10 -108.5(7) 2_565 .
B10 C1 B9 B10 -36.6(5) 2_565 .
B8 C1 B9 B10 -143.8(5) . .
Hg1 C1 B9 B10 114.7(5) . .
F8 B8 B9 F9 0.7(9) . .
C1 B8 B9 F9 -108.9(6) . .
B11 B8 B9 F9 155.7(5) 2_565 .
B11 B8 B9 F9 117.4(6) . .
B9 B8 B9 F9 -140.2(4) 2_565 .
F8 B8 B9 C1 109.6(7) . .
B11 B8 B9 C1 -95.4(5) 2_565 .
B11 B8 B9 C1 -133.7(5) . .
B9 B8 B9 C1 -31.3(5) 2_565 .
F8 B8 B9 B12 -154.0(6) . .
C1 B8 B9 B12 96.4(6) . .
B11 B8 B9 B12 1.0(7) 2_565 .
B11 B8 B9 B12 -37.3(5) . .
B9 B8 B9 B12 65.1(7) 2_565 .
F8 B8 B9 B11 -116.7(6) . .
C1 B8 B9 B11 133.7(5) . .
B11 B8 B9 B11 38.3(5) 2_565 .
B9 B8 B9 B11 102.4(5) 2_565 .
F8 B8 B9 B10 141.7(5) . .
C1 B8 B9 B10 32.1(5) . .
B11 B8 B9 B10 -63.3(6) 2_565 .
B11 B8 B9 B10 -101.6(5) . .
B9 B8 B9 B10 0.8(7) 2_565 .
B9 C1 B10 F10 -145.9(6) 2_565 .
B9 C1 B10 F10 106.9(6) . .
B10 C1 B10 F10 -109.4(5) 2_565 .
B8 C1 B10 F10 142.8(5) . .
Hg1 C1 B10 F10 3.2(7) . .
B9 C1 B10 B13 4.1(7) 2_565 .
B9 C1 B10 B13 -103.1(5) . .
B10 C1 B10 B13 40.6(5) 2_565 .
B8 C1 B10 B13 -67.2(5) . .
Hg1 C1 B10 B13 153.2(4) . .
B9 C1 B10 B9 107.2(8) 2_565 .
B10 C1 B10 B9 143.7(4) 2_565 .
B8 C1 B10 B9 35.9(4) . .
Hg1 C1 B10 B9 -103.8(4) . .
B9 C1 B10 B10 -36.5(4) 2_565 2_565
B9 C1 B10 B10 -143.7(4) . 2_565
B8 C1 B10 B10 -107.8(5) . 2_565
Hg1 C1 B10 B10 112.6(5) . 2_565
B9 C1 B10 B12 67.3(7) 2_565 .
B9 C1 B10 B12 -39.9(5) . .
B10 C1 B10 B12 103.8(4) 2_565 .
B8 C1 B10 B12 -4.0(6) . .
Hg1 C1 B10 B12 -143.6(5) . .
F9 B9 B10 F10 -1.7(8) . .
C1 B9 B10 F10 -110.5(6) . .
B8 B9 B10 F10 -142.8(5) . .
B12 B9 B10 F10 115.8(6) . .
B11 B9 B10 F10 153.9(5) . .
F9 B9 B10 C1 108.7(6) . .
B8 B9 B10 C1 -32.3(5) . .
B12 B9 B10 C1 -133.7(6) . .
B11 B9 B10 C1 -95.7(6) . .
F9 B9 B10 B13 -156.5(5) . .
C1 B9 B10 B13 94.7(5) . .
B8 B9 B10 B13 62.4(5) . .
B12 B9 B10 B13 -39.0(5) . .
B11 B9 B10 B13 -0.9(6) . .
F9 B9 B10 B10 140.6(4) . 2_565
C1 B9 B10 B10 31.8(4) . 2_565
B8 B9 B10 B10 -0.5(4) . 2_565
B12 B9 B10 B10 -101.9(4) . 2_565
B11 B9 B10 B10 -63.8(4) . 2_565
F9 B9 B10 B12 -117.5(7) . .
C1 B9 B10 B12 133.7(6) . .
B8 B9 B10 B12 101.4(6) . .
B11 B9 B10 B12 38.1(5) . .
F8 B8 B11 F11 -5.4(9) . .
C1 B8 B11 F11 -151.7(6) . .
B11 B8 B11 F11 109.6(6) 2_565 .
B9 B8 B11 F11 -112.4(7) . .
B9 B8 B11 F11 147.6(6) 2_565 .
F8 B8 B11 B14 -153.2(5) . .
C1 B8 B11 B14 60.5(5) . .
B11 B8 B11 B14 -38.2(5) 2_565 .
B9 B8 B11 B14 99.8(5) . .
B9 B8 B11 B14 -0.2(6) 2_565 .
F8 B8 B11 B9 106.9(5) . .
C1 B8 B11 B9 -39.3(4) . .
B11 B8 B11 B9 -138.0(4) 2_565 .
B9 B8 B11 B9 -100.0(7) 2_565 .
F8 B8 B11 B11 -115.1(6) . 2_565
C1 B8 B11 B11 98.7(3) . 2_565
B9 B8 B11 B11 138.0(4) . 2_565
B9 B8 B11 B11 38.0(3) 2_565 2_565
F8 B8 B11 B12 143.4(5) . .
C1 B8 B11 B12 -2.8(5) . .
B11 B8 B11 B12 -101.5(5) 2_565 .
B9 B8 B11 B12 36.5(5) . .
B9 B8 B11 B12 -63.5(6) 2_565 .
F9 B9 B11 F11 6.3(10) . .
C1 B9 B11 F11 151.8(6) . .
B8 B9 B11 F11 112.0(6) . .
B12 B9 B11 F11 -109.1(7) . .
B10 B9 B11 F11 -147.0(5) . .
F9 B9 B11 B14 154.8(6) . .
C1 B9 B11 B14 -59.7(6) . .
B8 B9 B11 B14 -99.5(5) . .
B12 B9 B11 B14 39.4(5) . .
B10 B9 B11 B14 1.4(6) . .
F9 B9 B11 B8 -105.7(7) . .
C1 B9 B11 B8 39.8(5) . .
B12 B9 B11 B8 138.9(5) . .
B10 B9 B11 B8 101.0(5) . .
F9 B9 B11 B11 -142.9(5) . 2_565
C1 B9 B11 B11 2.7(5) . 2_565
B8 B9 B11 B11 -37.2(3) . 2_565
B12 B9 B11 B11 101.7(4) . 2_565
B10 B9 B11 B11 63.8(4) . 2_565
F9 B9 B11 B12 115.4(7) . .
C1 B9 B11 B12 -99.0(6) . .
B8 B9 B11 B12 -138.9(5) . .
B10 B9 B11 B12 -37.9(5) . .
F9 B9 B12 F12 -4.1(12) . .
C1 B9 B12 F12 -149.8(8) . .
B8 B9 B12 F12 148.4(7) . .
B11 B9 B12 F12 111.6(8) . .
B10 B9 B12 F12 -110.2(9) . .
F9 B9 B12 B14 -154.2(7) . .
C1 B9 B12 B14 60.1(7) . .
B8 B9 B12 B14 -1.7(7) . .
B11 B9 B12 B14 -38.4(5) . .
B10 B9 B12 B14 99.7(6) . .
F9 B9 B12 B10 106.1(8) . .
C1 B9 B12 B10 -39.6(5) . .
B8 B9 B12 B10 -101.4(5) . .
B11 B9 B12 B10 -138.1(6) . .
F9 B9 B12 B11 -115.7(8) . .
C1 B9 B12 B11 98.6(6) . .
B8 B9 B12 B11 36.8(5) . .
B10 B9 B12 B11 138.1(6) . .
F9 B9 B12 B13 143.6(7) . .
C1 B9 B12 B13 -2.1(7) . .
B8 B9 B12 B13 -63.9(7) . .
B11 B9 B12 B13 -100.7(6) . .
B10 B9 B12 B13 37.5(5) . .
F10 B10 B12 F12 6.8(11) . .
C1 B10 B12 F12 151.8(7) . .
B13 B10 B12 F12 -110.4(8) . .
B9 B10 B12 F12 112.7(9) . .
B10 B10 B12 F12 -147.7(7) 2_565 .
F10 B10 B12 B9 -105.9(7) . .
C1 B10 B12 B9 39.1(5) . .
B13 B10 B12 B9 137.0(6) . .
B10 B10 B12 B9 99.7(4) 2_565 .
F10 B10 B12 B14 155.1(6) . .
C1 B10 B12 B14 -59.8(6) . .
B13 B10 B12 B14 38.0(5) . .
B9 B10 B12 B14 -99.0(7) . .
B10 B10 B12 B14 0.7(6) 2_565 .
F10 B10 B12 B11 -143.2(6) . .
C1 B10 B12 B11 1.9(7) . .
B13 B10 B12 B11 99.7(6) . .
B9 B10 B12 B11 -37.3(5) . .
B10 B10 B12 B11 62.4(5) 2_565 .
F10 B10 B12 B13 117.1(7) . .
C1 B10 B12 B13 -97.8(5) . .
B9 B10 B12 B13 -137.0(6) . .
B10 B10 B12 B13 -37.3(4) 2_565 .
F11 B11 B12 F12 0.8(11) . .
B14 B11 B12 F12 112.3(9) . .
B8 B11 B12 F12 -148.9(7) . .
B9 B11 B12 F12 -112.2(9) . .
B11 B11 B12 F12 148.2(7) 2_565 .
F11 B11 B12 B9 112.9(6) . .
B14 B11 B12 B9 -135.5(6) . .
B8 B11 B12 B9 -36.7(4) . .
B11 B11 B12 B9 -99.7(4) 2_565 .
F11 B11 B12 B14 -111.5(6) . .
B8 B11 B12 B14 98.8(5) . .
B9 B11 B12 B14 135.5(6) . .
B11 B11 B12 B14 35.9(4) 2_565 .
F11 B11 B12 B10 150.2(6) . .
B14 B11 B12 B10 -98.2(6) . .
B8 B11 B12 B10 0.6(7) . .
B9 B11 B12 B10 37.3(5) . .
B11 B11 B12 B10 -62.3(5) 2_565 .
F11 B11 B12 B13 -147.8(6) . .
B14 B11 B12 B13 -36.3(6) . .
B8 B11 B12 B13 62.6(6) . .
B9 B11 B12 B13 99.3(6) . .
B11 B11 B12 B13 -0.4(6) 2_565 .
F10 B10 B13 F13 -5.1(8) . .
C1 B10 B13 F13 -152.6(5) . .
B9 B10 B13 F13 147.0(5) . .
B10 B10 B13 F13 -112.8(6) 2_565 .
B12 B10 B13 F13 108.9(6) . .
F10 B10 B13 B10 107.7(5) . 2_565
C1 B10 B13 B10 -39.8(5) . 2_565
B9 B10 B13 B10 -100.1(4) . 2_565
B12 B10 B13 B10 -138.3(5) . 2_565
F10 B10 B13 B14 -152.1(5) . .
C1 B10 B13 B14 60.4(5) . .
B9 B10 B13 B14 0.1(5) . .
B10 B10 B13 B14 100.2(4) 2_565 .
B12 B10 B13 B14 -38.1(5) . .
F10 B10 B13 B12 145.1(6) . 2_565
C1 B10 B13 B12 -2.4(7) . 2_565
B9 B10 B13 B12 -62.7(6) . 2_565
B10 B10 B13 B12 37.4(4) 2_565 2_565
B12 B10 B13 B12 -100.9(8) . 2_565
F10 B10 B13 B12 -114.0(7) . .
C1 B10 B13 B12 98.5(5) . .
B9 B10 B13 B12 38.2(5) . .
B10 B10 B13 B12 138.3(5) 2_565 .
F12 B12 B13 F13 -3.2(12) . .
B9 B12 B13 F13 -151.5(7) . .
B14 B12 B13 F13 109.9(9) . .
B10 B12 B13 F13 -113.5(8) . .
B11 B12 B13 F13 145.8(7) . .
F12 B12 B13 B10 110.3(9) . .
B9 B12 B13 B10 -38.0(5) . .
B14 B12 B13 B10 -136.7(6) . .
B11 B12 B13 B10 -100.7(6) . .
F12 B12 B13 B10 148.1(7) . 2_565
B9 B12 B13 B10 -0.2(8) . 2_565
B14 B12 B13 B10 -98.9(6) . 2_565
B10 B12 B13 B10 37.8(5) . 2_565
B11 B12 B13 B10 -62.9(7) . 2_565
F12 B12 B13 B14 -113.1(9) . .
B9 B12 B13 B14 98.7(7) . .
B10 B12 B13 B14 136.7(6) . .
B11 B12 B13 B14 35.9(6) . .
F12 B12 B13 B12 -148.4(6) . 2_565
B9 B12 B13 B12 63.4(8) . 2_565
B14 B12 B13 B12 -35.3(7) . 2_565
B10 B12 B13 B12 101.4(6) . 2_565
B11 B12 B13 B12 0.6(9) . 2_565
F11 B11 B14 F14 1.1(9) . .
B8 B11 B14 F14 149.4(5) . .
B9 B11 B14 F14 -147.9(5) . .
B11 B11 B14 F14 111.2(6) 2_565 .
B12 B11 B14 F14 -109.0(5) . .
F11 B11 B14 B11 -110.1(6) . 2_565
B8 B11 B14 B11 38.2(5) . 2_565
B9 B11 B14 B11 100.9(4) . 2_565
B12 B11 B14 B11 139.8(5) . 2_565
F11 B11 B14 B12 110.1(7) . .
B8 B11 B14 B12 -101.6(5) . .
B9 B11 B14 B12 -38.9(5) . .
B11 B11 B14 B12 -139.8(5) 2_565 .
F11 B11 B14 B12 -147.0(7) . 2_565
B8 B11 B14 B12 1.2(7) . 2_565
B9 B11 B14 B12 63.9(7) . 2_565
B11 B11 B14 B12 -37.0(4) 2_565 2_565
B12 B11 B14 B12 102.8(8) . 2_565
F11 B11 B14 B13 147.6(6) . .
B8 B11 B14 B13 -64.1(5) . .
B9 B11 B14 B13 -1.4(6) . .
B11 B11 B14 B13 -102.3(5) 2_565 .
B12 B11 B14 B13 37.5(4) . .
F12 B12 B14 F14 0.6(12) . .
B9 B12 B14 F14 150.6(7) . .
B10 B12 B14 F14 -146.9(7) . .
B11 B12 B14 F14 111.6(8) . .
B13 B12 B14 F14 -109.3(9) . .
F12 B12 B14 B11 -111.0(8) . .
B9 B12 B14 B11 38.9(5) . .
B10 B12 B14 B11 101.4(6) . .
B13 B12 B14 B11 139.0(6) . .
F12 B12 B14 B11 -148.1(8) . 2_565
B9 B12 B14 B11 1.8(7) . 2_565
B10 B12 B14 B11 64.3(7) . 2_565
B11 B12 B14 B11 -37.1(5) . 2_565
B13 B12 B14 B11 101.9(7) . 2_565
F12 B12 B14 B12 146.4(6) . 2_565
B9 B12 B14 B12 -63.7(9) . 2_565
B10 B12 B14 B12 -1.2(10) . 2_565
B11 B12 B14 B12 -102.6(7) . 2_565
B13 B12 B14 B12 36.5(7) . 2_565
F12 B12 B14 B13 110.0(9) . .
B9 B12 B14 B13 -100.1(6) . .
B10 B12 B14 B13 -37.6(5) . .
B11 B12 B14 B13 -139.0(6) . .
F13 B13 B14 F14 0.0 . .
B10 B13 B14 F14 148.1(3) . .
B10 B13 B14 F14 -148.1(3) 2_565 .
B12 B13 B14 F14 -109.8(4) 2_565 .
B12 B13 B14 F14 109.8(4) . .
F13 B13 B14 B11 -147.3(4) . .
B10 B13 B14 B11 0.9(5) . .
B10 B13 B14 B11 64.6(4) 2_565 .
B12 B13 B14 B11 103.0(6) 2_565 .
B12 B13 B14 B11 -37.5(5) . .
F13 B13 B14 B11 147.3(4) . 2_565
B10 B13 B14 B11 -64.6(4) . 2_565
B10 B13 B14 B11 -0.9(5) 2_565 2_565
B12 B13 B14 B11 37.5(5) 2_565 2_565
B12 B13 B14 B11 -103.0(6) . 2_565
F13 B13 B14 B12 -109.8(4) . .
B10 B13 B14 B12 38.3(5) . .
B10 B13 B14 B12 102.1(6) 2_565 .
B12 B13 B14 B12 140.5(8) 2_565 .
F13 B13 B14 B12 109.8(4) . 2_565
B10 B13 B14 B12 -102.1(6) . 2_565
B10 B13 B14 B12 -38.3(5) 2_565 2_565
B12 B13 B14 B12 -140.5(8) . 2_565
C4 C3 N2 Hg1 0.00(7) . .
C2 Hg1 N2 C3 0.000(2) . .
C1 Hg1 N2 C3 180.000(3) . .
C9 N1 C5 C6 59.1(7) . .
C11 N1 C5 C6 -179.9(6) . .
C7 N1 C5 C6 -57.9(7) . .
C5 N1 C7 C8 -56.4(7) . .
C9 N1 C7 C8 -176.3(6) . .
C11 N1 C7 C8 63.3(7) . .
C5 N1 C9 C10 61.5(7) . .
C11 N1 C9 C10 -57.5(7) . .
C7 N1 C9 C10 -178.1(6) . .
C5 N1 C11 C12 -174.7(6) . .
C9 N1 C11 C12 -54.0(7) . .
C7 N1 C11 C12 63.3(7) . .
