# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_y2
_database_code_depnum_ccdc_archive 'CCDC 1487622'
_audit_update_record             
;
2016-06-24 deposited with the CCDC.
2016-08-04 downloaded from the CCDC.
;
_audit_creation_date             2016-03-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H25 Cl Hg N2 O3'
_chemical_formula_sum            'C25 H25 Cl Hg N2 O3'
_chemical_formula_weight         637.51
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 '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'
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   9.4629(2)
_cell_length_b                   11.3500(2)
_cell_length_c                   12.3473(3)
_cell_angle_alpha                103.8430(10)
_cell_angle_beta                 109.6160(10)
_cell_angle_gamma                99.7450(10)
_cell_volume                     1166.86(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    10200
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      2
_exptl_absorpt_coefficient_mu    6.739
_exptl_absorpt_correction_T_max  0.3187
_exptl_absorpt_correction_T_min  0.1576
_exptl_absorpt_correction_type   'multi scan'
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.814
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             620
_exptl_crystal_size_max          0.435
_exptl_crystal_size_mid          0.283
_exptl_crystal_size_min          0.22
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0418
_diffrn_reflns_av_unetI/netI     0.0363
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            21104
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.27
_diffrn_reflns_theta_min         1.85
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                5556
_reflns_number_total             5748
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         2.247
_refine_diff_density_min         -1.389
_refine_diff_density_rms         0.141
_refine_ls_extinction_coef       0.0023(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     291
_refine_ls_number_reflns         5748
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0259
_refine_ls_R_factor_gt           0.0250
_refine_ls_restrained_S_all      1.065
_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)+(0.0234P)²+2.2395P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0589
_refine_ls_wR_factor_ref         0.0593
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C11(H11)
2.b Secondary CH2 refined with riding coordinates:
 C21(H21A,H21B), C22(H22A,H22B), C23(H23A,H23B), C20(H20A,H20B), C24(H24A,H24B)
2.c Aromatic/amide H refined with riding coordinates:
 N2(H2), C1(H1), C14(H14), C8(H8), C17(H17), C15(H15), C3(H3), C9(H9),
 C10(H10), C16(H16), C4(H4)
2.d Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
Hg1 Hg 0.114955(12) 0.172174(9) 0.647958(9) 0.01304(5) Uani 1 d . . .
Cl1 Cl 0.21204(10) 0.05157(8) 0.52254(8) 0.02380(17) Uani 1 d . . .
O3 O 0.0801(3) 0.4798(2) 0.7761(2) 0.0182(4) Uani 1 d . . .
O1 O 0.6961(3) 0.2476(3) 0.8154(2) 0.0344(7) Uani 1 d . . .
O2 O -0.1503(3) 0.6517(2) 0.4577(2) 0.0229(5) Uani 1 d . . .
N2 N -0.0729(3) 0.5657(3) 0.6097(2) 0.0175(5) Uani 1 d . . .
H2 H 0.0002 0.5787 0.6790 0.021 Uiso 1 calc . . R
N1 N 0.3560(3) 0.2890(3) 0.8534(2) 0.0145(5) Uani 1 d . . .
C21 C 0.1004(6) 0.8350(5) 0.7551(4) 0.0504(14) Uani 1 d . . .
H21A H 0.0926 0.7758 0.7993 0.060 Uiso 1 calc . . R
H21B H 0.0126 0.8708 0.7459 0.060 Uiso 1 calc . . R
C19 C -0.0576(4) 0.6573(3) 0.5574(3) 0.0179(6) Uani 1 d . . .
C1 C 0.5644(4) 0.2553(4) 0.7941(3) 0.0234(7) Uani 1 d . . .
H1 H 0.4954 0.2322 0.7136 0.028 Uiso 1 calc . . R
C14 C -0.2823(4) 0.2438(3) 0.5733(3) 0.0155(6) Uani 1 d . . .
H14 H -0.2648 0.1787 0.6052 0.019 Uiso 1 calc . . R
C7 C 0.1322(4) 0.3125(3) 0.8982(3) 0.0142(6) Uani 1 d . . .
C12 C -0.0147(3) 0.3748(3) 0.7233(3) 0.0126(5) Uani 1 d . . .
C5 C 0.3931(4) 0.3754(3) 1.0635(3) 0.0161(6) Uani 1 d . . .
C6 C 0.2958(4) 0.3257(3) 0.9376(3) 0.0140(6) Uani 1 d . . .
C8 C 0.0732(4) 0.3462(3) 0.9850(3) 0.0194(6) Uani 1 d . . .
H8 H -0.0335 0.3362 0.9607 0.023 Uiso 1 calc . . R
C22 C 0.2489(5) 0.9396(4) 0.8297(3) 0.0314(8) Uani 1 d . . .
H22A H 0.3360 0.9027 0.8423 0.038 Uiso 1 calc . . R
H22B H 0.2596 0.9954 0.7828 0.038 Uiso 1 calc . . R
C17 C -0.3371(4) 0.4351(3) 0.4751(3) 0.0221(7) Uani 1 d . . .
H17 H -0.3565 0.4989 0.4417 0.027 Uiso 1 calc . . R
C23 C 0.2617(9) 1.0171(6) 0.9502(5) 0.083(2) Uani 1 d . . .
H23A H 0.3674 1.0717 0.9914 0.100 Uiso 1 calc . . R
H23B H 0.1937 1.0715 0.9347 0.100 Uiso 1 calc . . R
C15 C -0.4252(4) 0.2265(3) 0.4821(3) 0.0214(7) Uani 1 d . . .
H15 H -0.5022 0.1506 0.4531 0.026 Uiso 1 calc . . R
C3 C 0.6122(4) 0.3494(3) 1.0129(3) 0.0199(6) Uani 1 d . . .
H3 H 0.7179 0.3554 1.0347 0.024 Uiso 1 calc . . R
C13 C -0.1636(3) 0.3562(3) 0.6189(3) 0.0125(5) Uani 1 d . . .
C9 C 0.1692(4) 0.3954(3) 1.1095(3) 0.0223(7) Uani 1 d . . .
H9 H 0.1251 0.4171 1.1657 0.027 Uiso 1 calc . . R
C10 C 0.3267(4) 0.4115(3) 1.1488(3) 0.0203(7) Uani 1 d . . .
H10 H 0.3897 0.4459 1.2311 0.024 Uiso 1 calc . . R
C11 C 0.0210(4) 0.2667(3) 0.7658(3) 0.0131(6) Uani 1 d . . .
H11 H -0.0760 0.2100 0.7560 0.016 Uiso 1 calc . . R
C16 C -0.4525(4) 0.3230(3) 0.4345(3) 0.0254(7) Uani 1 d . . .
H16 H -0.5493 0.3125 0.3747 0.030 Uiso 1 calc . . R
C20 C 0.0879(5) 0.7650(4) 0.6331(3) 0.0307(9) Uani 1 d . . .
H20A H 0.1776 0.7317 0.6426 0.037 Uiso 1 calc . . R
H20B H 0.0934 0.8242 0.5886 0.037 Uiso 1 calc . . R
C4 C 0.5545(4) 0.3886(3) 1.0988(3) 0.0195(6) Uani 1 d . . .
H4 H 0.6213 0.4239 1.1802 0.023 Uiso 1 calc . . R
C18 C -0.1916(4) 0.4529(3) 0.5661(3) 0.0145(6) Uani 1 d . . .
C2 C 0.5077(4) 0.2999(3) 0.8908(3) 0.0174(6) Uani 1 d . . .
C25 C -0.2596(9) -0.0490(5) 0.8421(5) 0.0670(18) Uani 1 d . . .
H25A H -0.1776 -0.0898 0.8475 0.101 Uiso 1 calc . . GR
H25B H -0.2619 0.0007 0.7889 0.101 Uiso 1 calc . . GR
H25C H -0.3578 -0.1117 0.8106 0.101 Uiso 1 calc . . GR
C24 C -0.2305(10) 0.0355(7) -0.0332(5) 0.081(2) Uani 1 d . . .
H24A H -0.1216 0.0832 0.0040 0.097 Uiso 1 calc . . R
H24B H -0.2914 0.0956 -0.0442 0.097 Uiso 1 calc . . R


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Hg1 Cl1 2.3414(8) . ?
Hg1 N1 2.623(3) . ?
Hg1 C11 2.122(3) . ?
O3 C12 1.235(4) . ?
O1 C1 1.208(4) . ?
O2 C19 1.229(4) . ?
N2 H2 0.8600 . ?
N2 C19 1.361(4) . ?
N2 C18 1.403(4) . ?
N1 C6 1.360(4) . ?
N1 C2 1.325(4) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 C22 1.508(6) . ?
C21 C20 1.479(5) . ?
C19 C20 1.511(5) . ?
C1 H1 0.9300 . ?
C1 C2 1.483(5) . ?
C14 H14 0.9300 . ?
C14 C15 1.385(4) . ?
C14 C13 1.398(4) . ?
C7 C6 1.428(4) . ?
C7 C8 1.373(4) . ?
C7 C11 1.517(4) . ?
C12 C13 1.497(4) . ?
C12 C11 1.492(4) . ?
C5 C6 1.423(4) . ?
C5 C10 1.413(4) . ?
C5 C4 1.410(4) . ?
C8 H8 0.9300 . ?
C8 C9 1.407(5) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 C23 1.490(7) . ?
C17 H17 0.9300 . ?
C17 C16 1.386(5) . ?
C17 C18 1.400(4) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C24 1.388(8) 2_566 ?
C15 H15 0.9300 . ?
C15 C16 1.383(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.367(5) . ?
C3 C2 1.404(4) . ?
C13 C18 1.422(4) . ?
C9 H9 0.9300 . ?
C9 C10 1.367(5) . ?
C10 H10 0.9300 . ?
C11 H11 0.9800 . ?
C16 H16 0.9300 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C4 H4 0.9300 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C25 C24 1.512(7) 1_556 ?
C24 C23 1.388(8) 2_566 ?
C24 C25 1.512(7) 1_554 ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?

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 Hg1 N1 105.10(6) . . ?
C11 Hg1 Cl1 174.81(8) . . ?
C11 Hg1 N1 75.41(10) . . ?
C19 N2 H2 115.6 . . ?
C19 N2 C18 128.9(3) . . ?
C18 N2 H2 115.6 . . ?
C6 N1 Hg1 105.67(19) . . ?
C2 N1 Hg1 134.6(2) . . ?
C2 N1 C6 118.7(3) . . ?
H21A C21 H21B 107.6 . . ?
C22 C21 H21A 108.6 . . ?
C22 C21 H21B 108.6 . . ?
C20 C21 H21A 108.6 . . ?
C20 C21 H21B 108.6 . . ?
C20 C21 C22 114.8(4) . . ?
O2 C19 N2 123.6(3) . . ?
O2 C19 C20 123.4(3) . . ?
N2 C19 C20 113.0(3) . . ?
O1 C1 H1 118.5 . . ?
O1 C1 C2 122.9(3) . . ?
C2 C1 H1 118.5 . . ?
C15 C14 H14 119.0 . . ?
C15 C14 C13 121.9(3) . . ?
C13 C14 H14 119.0 . . ?
C6 C7 C11 123.6(3) . . ?
C8 C7 C6 118.0(3) . . ?
C8 C7 C11 118.4(3) . . ?
O3 C12 C13 120.7(3) . . ?
O3 C12 C11 118.9(3) . . ?
C11 C12 C13 120.5(3) . . ?
C10 C5 C6 119.6(3) . . ?
C4 C5 C6 118.3(3) . . ?
C4 C5 C10 122.0(3) . . ?
N1 C6 C7 119.0(3) . . ?
N1 C6 C5 121.0(3) . . ?
C5 C6 C7 120.0(3) . . ?
C7 C8 H8 119.0 . . ?
C7 C8 C9 122.1(3) . . ?
C9 C8 H8 119.0 . . ?
C21 C22 H22A 108.2 . . ?
C21 C22 H22B 108.2 . . ?
H22A C22 H22B 107.4 . . ?
C23 C22 C21 116.3(4) . . ?
C23 C22 H22A 108.2 . . ?
C23 C22 H22B 108.2 . . ?
C16 C17 H17 119.8 . . ?
C16 C17 C18 120.3(3) . . ?
C18 C17 H17 119.8 . . ?
C22 C23 H23A 106.6 . . ?
C22 C23 H23B 106.6 . . ?
H23A C23 H23B 106.6 . . ?
C24 C23 C22 122.9(5) 2_566 . ?
C24 C23 H23A 106.6 2_566 . ?
C24 C23 H23B 106.6 2_566 . ?
C14 C15 H15 120.3 . . ?
C16 C15 C14 119.4(3) . . ?
C16 C15 H15 120.3 . . ?
C4 C3 H3 120.9 . . ?
C4 C3 C2 118.3(3) . . ?
C2 C3 H3 120.9 . . ?
C14 C13 C12 120.4(3) . . ?
C14 C13 C18 117.9(3) . . ?
C18 C13 C12 121.6(3) . . ?
C8 C9 H9 119.6 . . ?
C10 C9 C8 120.7(3) . . ?
C10 C9 H9 119.6 . . ?
C5 C10 H10 120.2 . . ?
C9 C10 C5 119.5(3) . . ?
C9 C10 H10 120.2 . . ?
Hg1 C11 H11 109.3 . . ?
C7 C11 Hg1 113.1(2) . . ?
C7 C11 H11 109.3 . . ?
C12 C11 Hg1 104.93(19) . . ?
C12 C11 C7 110.9(2) . . ?
C12 C11 H11 109.3 . . ?
C17 C16 H16 119.7 . . ?
C15 C16 C17 120.7(3) . . ?
C15 C16 H16 119.7 . . ?
C21 C20 C19 116.0(3) . . ?
C21 C20 H20A 108.3 . . ?
C21 C20 H20B 108.3 . . ?
C19 C20 H20A 108.3 . . ?
C19 C20 H20B 108.3 . . ?
H20A C20 H20B 107.4 . . ?
C5 C4 H4 120.2 . . ?
C3 C4 C5 119.6(3) . . ?
C3 C4 H4 120.2 . . ?
N2 C18 C13 118.7(3) . . ?
C17 C18 N2 121.6(3) . . ?
C17 C18 C13 119.7(3) . . ?
N1 C2 C1 115.7(3) . . ?
N1 C2 C3 124.0(3) . . ?
C3 C2 C1 120.3(3) . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C25 H25A 109.5 1_556 . ?
C24 C25 H25B 109.5 1_556 . ?
C24 C25 H25C 109.5 1_556 . ?
C23 C24 C25 119.8(6) 2_566 1_554 ?
C23 C24 H24A 107.4 2_566 . ?
C23 C24 H24B 107.4 2_566 . ?
C25 C24 H24A 107.4 1_554 . ?
C25 C24 H24B 107.4 1_554 . ?
H24A C24 H24B 106.9 . . ?

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
Hg1 N1 C6 C7 -8.9(3) . . . . ?
Hg1 N1 C6 C5 170.4(2) . . . . ?
Hg1 N1 C2 C1 12.1(5) . . . . ?
Hg1 N1 C2 C3 -167.8(2) . . . . ?
Cl1 Hg1 N1 C6 -160.96(18) . . . . ?
Cl1 Hg1 N1 C2 6.9(3) . . . . ?
Cl1 Hg1 C11 C7 81.5(10) . . . . ?
Cl1 Hg1 C11 C12 -157.5(8) . . . . ?
O3 C12 C13 C14 -168.7(3) . . . . ?
O3 C12 C13 C18 8.9(4) . . . . ?
O3 C12 C11 Hg1 -97.6(3) . . . . ?
O3 C12 C11 C7 24.8(4) . . . . ?
O1 C1 C2 N1 -172.4(4) . . . . ?
O1 C1 C2 C3 7.5(6) . . . . ?
O2 C19 C20 C21 121.0(4) . . . . ?
N2 C19 C20 C21 -60.8(5) . . . . ?
N1 Hg1 C11 C7 -14.9(2) . . . . ?
N1 Hg1 C11 C12 106.1(2) . . . . ?
C21 C22 C23 C24 49.0(11) . . . 2_566 ?
C19 N2 C18 C17 -18.6(5) . . . . ?
C19 N2 C18 C13 163.3(3) . . . . ?
C14 C15 C16 C17 1.6(6) . . . . ?
C14 C13 C18 N2 -179.1(3) . . . . ?
C14 C13 C18 C17 2.7(4) . . . . ?
C7 C8 C9 C10 0.0(5) . . . . ?
C12 C13 C18 N2 3.2(4) . . . . ?
C12 C13 C18 C17 -175.0(3) . . . . ?
C6 N1 C2 C1 178.7(3) . . . . ?
C6 N1 C2 C3 -1.2(5) . . . . ?
C6 C7 C8 C9 1.5(5) . . . . ?
C6 C7 C11 Hg1 17.7(4) . . . . ?
C6 C7 C11 C12 -99.9(3) . . . . ?
C6 C5 C10 C9 1.6(5) . . . . ?
C6 C5 C4 C3 -2.5(5) . . . . ?
C8 C7 C6 N1 177.8(3) . . . . ?
C8 C7 C6 C5 -1.5(4) . . . . ?
C8 C7 C11 Hg1 -164.0(2) . . . . ?
C8 C7 C11 C12 78.4(4) . . . . ?
C8 C9 C10 C5 -1.6(5) . . . . ?
C22 C21 C20 C19 178.4(4) . . . . ?
C15 C14 C13 C12 175.8(3) . . . . ?
C15 C14 C13 C18 -1.9(5) . . . . ?
C13 C14 C15 C16 -0.3(5) . . . . ?
C13 C12 C11 Hg1 82.8(3) . . . . ?
C13 C12 C11 C7 -154.8(3) . . . . ?
C10 C5 C6 N1 -179.3(3) . . . . ?
C10 C5 C6 C7 0.0(4) . . . . ?
C10 C5 C4 C3 178.4(3) . . . . ?
C11 Hg1 N1 C6 13.70(19) . . . . ?
C11 Hg1 N1 C2 -178.5(3) . . . . ?
C11 C7 C6 N1 -3.8(4) . . . . ?
C11 C7 C6 C5 176.8(3) . . . . ?
C11 C7 C8 C9 -176.9(3) . . . . ?
C11 C12 C13 C14 10.9(4) . . . . ?
C11 C12 C13 C18 -171.5(3) . . . . ?
C16 C17 C18 N2 -179.5(3) . . . . ?
C16 C17 C18 C13 -1.4(5) . . . . ?
C20 C21 C22 C23 176.6(5) . . . . ?
C4 C5 C6 N1 1.6(4) . . . . ?
C4 C5 C6 C7 -179.1(3) . . . . ?
C4 C5 C10 C9 -179.4(3) . . . . ?
C4 C3 C2 N1 0.2(5) . . . . ?
C4 C3 C2 C1 -179.6(3) . . . . ?
C18 N2 C19 O2 -1.6(5) . . . . ?
C18 N2 C19 C20 -179.8(3) . . . . ?
C18 C17 C16 C15 -0.8(6) . . . . ?
C2 N1 C6 C7 -179.1(3) . . . . ?
C2 N1 C6 C5 0.3(4) . . . . ?
C2 C3 C4 C5 1.7(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
