# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_Complex_Fig4
_database_code_depnum_ccdc_archive 'CCDC 2168662'
loop_
_audit_author_name
_audit_author_address
'Francisco Molina Gonzalez'
;CIQSO
Spain
;
_audit_update_record             
;
2022-04-25 deposited with the CCDC.	2022-10-17 downloaded from the CCDC.
;
_audit_creation_date             2021-07-18
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C62 H54 Au4 Cl2 N2 P4, 2(B F4), 2(C2 H3 N)'
_chemical_formula_sum            'C66 H60 Au4 B2 Cl2 F8 N4 P4'
_chemical_formula_weight         2065.44
_exptl_crystal_recrystallization_method 
'Crystallized from a mixture of acetonitrile, hexane and dichloromethane by cooling'
_chemical_melting_point          ?
_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_diffrn_ambient_temperature      150.0
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'
Au Au -2.0133 8.8022 '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'
Cl Cl 0.1484 0.1585 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'
_chemical_absolute_configuration .
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   15.1241(12)
_cell_length_b                   10.3724(8)
_cell_length_c                   20.8748(16)
_cell_angle_alpha                90
_cell_angle_beta                 101.162(3)
_cell_angle_gamma                90
_cell_volume                     3212.8(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9773
_cell_measurement_temperature    150.0
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      2.40
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    9.356
_exptl_absorpt_correction_T_max  0.046758
_exptl_absorpt_correction_T_min  0.012757
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.

Final HKLF 4 output contains 124823 reflections, Rint = 0.0696
 (67402 with I > 3sig(I), Rint = 0.0609)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.135
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             1952
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0542
_diffrn_reflns_av_unetI/netI     0.0560
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            11200
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         0.994
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'Bruker D8 Quest'
_diffrn_measurement_device_type  'Bruker CHi Fixed Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  multilayer
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed x-ray tube'
_diffrn_source_type              'Incoatec I/mS high brilliance'
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4951
_reflns_number_total             5730
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker Apex3, 2020'
_computing_data_collection       'Bruker Apex3, 2020'
_computing_data_reduction        'SAINT V8.40B (Bruker, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL 2018/3 (Sheldrick, 2015)'
_refine_diff_density_max         2.716
_refine_diff_density_min         -1.559
_refine_diff_density_rms         0.294
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.126
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         5730
_refine_ls_number_restraints     16
_refine_ls_R_factor_all          0.0724
_refine_ls_R_factor_gt           0.0596
_refine_ls_restrained_S_all      1.125
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+127.7063P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1272
_refine_ls_wR_factor_ref         0.1329
_refine_special_details          
;The crystal is non-merohedrically twinned; 
three domains were indexed separately
and used in the integration and the refinement (HKLF4). 
The twins ratio refined to 0.76, 0.15, 0.09.
The majority domain used in HKLF4 showed an additional
non-merohedrical twin that refined (TWIN/BASF) to 0.0515(9).

AFIX 66 was applied to the phenyl groups and
soft restraints to N1-C14 and N1-C18 distances
to enhance the model.

All H atoms were refined using a riding model, with a common U restrained
to be 1.2 (1.5 for methyl groups) times the equivalent isotropic displacement
parameter of the parent atom. 

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.,Twin
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.9485(9)
 0.0515(9)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 C14-N1 \\sim N1-C18
 with sigma of 0.01
4. Rigid bond restraints
 N2, C32, C33
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
5. Uiso/Uaniso restraints and constraints
N2 \\sim C32 \\sim C33: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
6.a Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C19(H19A,H19B)
6.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C5(H5), C4(H4), C3(H3), C2(H2), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C15(H15), C16(H16), C17(H17), C25(H25), C24(H24), C23(H23), C22(H22),
  C21(H21), C31(H31), C30(H30), C29(H29), C28(H28), C27(H27)
6.c Fitted hexagon refined as free rotating group:
 C1(C6,C5,C4,C3,C2), C7(C8,C9,C10,C11,C12), C20(C25,C24,C23,C22,C21), C26(C31,
 C30,C29,C28,C27)
6.d Idealised Me refined as rotating group:
 C32(H32A,H32B,H32C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Au1 Au 0.54149(4) 0.59512(6) 0.46080(3) 0.02869(16) Uani 1 1 d . . . . .
Au2 Au 0.75138(4) 0.51415(6) 0.52079(3) 0.03245(17) Uani 1 1 d . . . . .
Cl1 Cl 0.7486(3) 0.3080(4) 0.5609(2) 0.0399(9) Uani 1 1 d . . . . .
P1 P 0.4663(3) 0.5751(4) 0.60726(18) 0.0281(8) Uani 1 1 d . . . . .
P2 P 0.7789(3) 0.7094(4) 0.4836(2) 0.0328(9) Uani 1 1 d . . . . .
N1 N 0.5627(7) 0.7748(12) 0.5096(6) 0.029(3) Uani 1 1 d D . . . .
C1 C 0.3832(6) 0.5438(10) 0.6578(5) 0.030(3) Uani 1 1 d G . . . .
C6 C 0.3025(7) 0.6113(10) 0.6511(5) 0.046(4) Uani 1 1 d G . . . .
H6 H 0.289324 0.678279 0.619690 0.055 Uiso 1 1 calc R U . . .
C5 C 0.2411(6) 0.5807(11) 0.6904(6) 0.053(5) Uani 1 1 d G . . . .
H5 H 0.185948 0.626805 0.685888 0.064 Uiso 1 1 calc R U . . .
C4 C 0.2604(7) 0.4827(12) 0.7364(5) 0.047(5) Uani 1 1 d G . . . .
H4 H 0.218404 0.461798 0.763317 0.057 Uiso 1 1 calc R U . . .
C3 C 0.3411(8) 0.4153(10) 0.7431(5) 0.048(5) Uani 1 1 d G . . . .
H3 H 0.354235 0.348263 0.774548 0.057 Uiso 1 1 calc R U . . .
C2 C 0.4025(6) 0.4458(10) 0.7038(5) 0.041(4) Uani 1 1 d G . . . .
H2 H 0.457612 0.399735 0.708349 0.049 Uiso 1 1 calc R U . . .
C7 C 0.5713(5) 0.5982(9) 0.6638(4) 0.029(3) Uani 1 1 d G . . . .
C8 C 0.6448(6) 0.5188(9) 0.6618(5) 0.035(4) Uani 1 1 d G . . . .
H8 H 0.639634 0.450580 0.630944 0.042 Uiso 1 1 calc R U . . .
C9 C 0.7258(5) 0.5393(10) 0.7050(5) 0.044(4) Uani 1 1 d G . . . .
H9 H 0.776053 0.484988 0.703655 0.053 Uiso 1 1 calc R U . . .
C10 C 0.7334(5) 0.6391(11) 0.7501(5) 0.046(4) Uani 1 1 d G . . . .
H10 H 0.788799 0.653071 0.779661 0.055 Uiso 1 1 calc R U . . .
C11 C 0.6600(7) 0.7185(9) 0.7521(5) 0.045(4) Uani 1 1 d G . . . .
H11 H 0.665126 0.786747 0.782956 0.053 Uiso 1 1 calc R U . . .
C12 C 0.5789(6) 0.6981(9) 0.7089(5) 0.034(4) Uani 1 1 d G . . . .
H12 H 0.528706 0.752340 0.710245 0.041 Uiso 1 1 calc R U . . .
C13 C 0.4375(10) 0.7348(14) 0.5686(7) 0.029(3) Uani 1 1 d . . . . .
H13A H 0.395114 0.721300 0.526711 0.035 Uiso 1 1 calc R U . . .
H13B H 0.405512 0.785656 0.597222 0.035 Uiso 1 1 calc R U . . .
C14 C 0.5151(10) 0.8126(14) 0.5557(7) 0.032(3) Uani 1 1 d D . . . .
C15 C 0.5350(11) 0.9291(15) 0.5878(8) 0.035(4) Uani 1 1 d . . . . .
H15 H 0.502412 0.955344 0.620220 0.042 Uiso 1 1 calc R U . . .
C16 C 0.6020(11) 1.0069(16) 0.5728(8) 0.040(4) Uani 1 1 d . . . . .
H16 H 0.615094 1.087359 0.594239 0.048 Uiso 1 1 calc R U . . .
C17 C 0.6485(10) 0.9685(15) 0.5277(7) 0.033(4) Uani 1 1 d . . . . .
H17 H 0.695617 1.021282 0.518124 0.040 Uiso 1 1 calc R U . . .
C18 C 0.6286(9) 0.8525(14) 0.4947(7) 0.031(3) Uani 1 1 d D . . . .
C19 C 0.6808(10) 0.8087(16) 0.4456(8) 0.035(4) Uani 1 1 d . . . . .
H19A H 0.702125 0.884700 0.424242 0.042 Uiso 1 1 calc R U . . .
H19B H 0.641213 0.757480 0.411576 0.042 Uiso 1 1 calc R U . . .
C20 C 0.8389(7) 0.8108(10) 0.5482(4) 0.040(4) Uani 1 1 d G . . . .
C25 C 0.8835(8) 0.9205(11) 0.5331(4) 0.051(5) Uani 1 1 d G . . . .
H25 H 0.885620 0.939510 0.488884 0.061 Uiso 1 1 calc R U . . .
C24 C 0.9250(8) 1.0024(9) 0.5826(6) 0.060(5) Uani 1 1 d G . . . .
H24 H 0.955473 1.077344 0.572232 0.072 Uiso 1 1 calc R U . . .
C23 C 0.9219(8) 0.9745(11) 0.6473(5) 0.053(5) Uani 1 1 d G . . . .
H23 H 0.950271 1.030504 0.681093 0.064 Uiso 1 1 calc R U . . .
C22 C 0.8773(9) 0.8648(12) 0.6624(4) 0.055(5) Uani 1 1 d G . . . .
H22 H 0.875215 0.845830 0.706608 0.066 Uiso 1 1 calc R U . . .
C21 C 0.8358(8) 0.7830(10) 0.6129(5) 0.049(5) Uani 1 1 d G . . . .
H21 H 0.805360 0.707994 0.623261 0.059 Uiso 1 1 calc R U . . .
C26 C 0.8501(6) 0.6958(11) 0.4233(4) 0.034(4) Uani 1 1 d G . . . .
C31 C 0.9202(7) 0.6074(11) 0.4377(5) 0.051(5) Uani 1 1 d G . . . .
H31 H 0.926713 0.556453 0.476150 0.061 Uiso 1 1 calc R U . . .
C30 C 0.9809(7) 0.5938(11) 0.3959(6) 0.059(5) Uani 1 1 d G . . . .
H30 H 1.028843 0.533403 0.405832 0.071 Uiso 1 1 calc R U . . .
C29 C 0.9714(7) 0.6684(12) 0.3397(5) 0.044(4) Uani 1 1 d G . . . .
H29 H 1.012859 0.659012 0.311172 0.053 Uiso 1 1 calc R U . . .
C28 C 0.9012(8) 0.7567(11) 0.3253(4) 0.045(4) Uani 1 1 d G . . . .
H28 H 0.894745 0.807673 0.286830 0.054 Uiso 1 1 calc R U . . .
C27 C 0.8406(7) 0.7704(10) 0.3670(5) 0.046(4) Uani 1 1 d G . . . .
H27 H 0.792614 0.830726 0.357148 0.055 Uiso 1 1 calc R U . . .
F1 F 0.4643(9) 0.1628(12) 0.7783(6) 0.074(4) Uani 1 1 d . . . . .
F2 F 0.4187(8) 0.0306(17) 0.6930(6) 0.093(5) Uani 1 1 d . . . . .
F3 F 0.5607(7) 0.0164(12) 0.7472(6) 0.068(3) Uani 1 1 d . . . . .
F4 F 0.5173(9) 0.1887(12) 0.6837(6) 0.076(4) Uani 1 1 d . . . . .
B1 B 0.4905(13) 0.099(2) 0.7260(10) 0.045(5) Uani 1 1 d . . . . .
N2 N 0.7840(15) 1.090(2) 0.4039(10) 0.076(5) Uani 1 1 d . U . . .
C32 C 0.9129(15) 1.252(3) 0.4339(12) 0.080(6) Uani 1 1 d . U . . .
H32A H 0.955861 1.244256 0.404446 0.119 Uiso 1 1 calc R U . . .
H32B H 0.944083 1.236743 0.478908 0.119 Uiso 1 1 calc R U . . .
H32C H 0.887041 1.339107 0.430333 0.119 Uiso 1 1 calc R U . . .
C33 C 0.8431(16) 1.160(2) 0.4164(12) 0.068(5) Uani 1 1 d . U . . .


_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
Au1 Au1 2.9905(12) 3_666 ?
Au1 Au2 3.2881(9) . ?
Au1 P1 2.255(4) 3_666 ?
Au1 N1 2.119(12) . ?
Au2 Cl1 2.299(4) . ?
Au2 P2 2.237(4) . ?
P1 C1 1.820(8) . ?
P1 C7 1.802(8) . ?
P1 C13 1.857(16) . ?
P2 C19 1.853(16) . ?
P2 C20 1.811(9) . ?
P2 C26 1.813(8) . ?
N1 C14 1.367(13) . ?
N1 C18 1.363(13) . ?
C1 C6 1.3900 . ?
C1 C2 1.3900 . ?
C6 H6 0.9500 . ?
C6 C5 1.3900 . ?
C5 H5 0.9500 . ?
C5 C4 1.3900 . ?
C4 H4 0.9500 . ?
C4 C3 1.3900 . ?
C3 H3 0.9500 . ?
C3 C2 1.3900 . ?
C2 H2 0.9500 . ?
C7 C8 1.3900 . ?
C7 C12 1.3900 . ?
C8 H8 0.9500 . ?
C8 C9 1.3900 . ?
C9 H9 0.9500 . ?
C9 C10 1.3900 . ?
C10 H10 0.9500 . ?
C10 C11 1.3900 . ?
C11 H11 0.9500 . ?
C11 C12 1.3900 . ?
C12 H12 0.9500 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.49(2) . ?
C14 C15 1.39(2) . ?
C15 H15 0.9500 . ?
C15 C16 1.38(2) . ?
C16 H16 0.9500 . ?
C16 C17 1.34(2) . ?
C17 H17 0.9500 . ?
C17 C18 1.39(2) . ?
C18 C19 1.48(2) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C25 1.3900 . ?
C20 C21 1.3900 . ?
C25 H25 0.9500 . ?
C25 C24 1.3900 . ?
C24 H24 0.9500 . ?
C24 C23 1.3900 . ?
C23 H23 0.9500 . ?
C23 C22 1.3900 . ?
C22 H22 0.9500 . ?
C22 C21 1.3900 . ?
C21 H21 0.9500 . ?
C26 C31 1.3900 . ?
C26 C27 1.3900 . ?
C31 H31 0.9500 . ?
C31 C30 1.3900 . ?
C30 H30 0.9500 . ?
C30 C29 1.3900 . ?
C29 H29 0.9500 . ?
C29 C28 1.3900 . ?
C28 H28 0.9500 . ?
C28 C27 1.3900 . ?
C27 H27 0.9500 . ?
F1 B1 1.40(2) . ?
F2 B1 1.37(2) . ?
F3 B1 1.37(2) . ?
F4 B1 1.39(3) . ?
N2 C33 1.14(3) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C32 C33 1.42(3) . ?

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
Au1 Au1 Au2 95.71(3) 3_666 . ?
P1 Au1 Au1 81.48(10) 3_666 3_666 ?
P1 Au1 Au2 88.22(10) 3_666 . ?
N1 Au1 Au1 111.0(3) . 3_666 ?
N1 Au1 Au2 89.8(3) . . ?
N1 Au1 P1 167.5(3) . 3_666 ?
Cl1 Au2 Au1 106.95(11) . . ?
P2 Au2 Au1 82.36(10) . . ?
P2 Au2 Cl1 170.43(15) . . ?
C1 P1 Au1 105.6(4) . 3_666 ?
C1 P1 C13 106.3(6) . . ?
C7 P1 Au1 116.7(3) . 3_666 ?
C7 P1 C1 105.3(5) . . ?
C7 P1 C13 105.5(6) . . ?
C13 P1 Au1 116.5(5) . 3_666 ?
C19 P2 Au2 117.7(5) . . ?
C20 P2 Au2 111.5(4) . . ?
C20 P2 C19 103.9(7) . . ?
C20 P2 C26 106.5(5) . . ?
C26 P2 Au2 110.2(4) . . ?
C26 P2 C19 106.3(6) . . ?
C14 N1 Au1 122.6(9) . . ?
C18 N1 Au1 117.4(9) . . ?
C18 N1 C14 120.0(13) . . ?
C6 C1 P1 123.0(6) . . ?
C6 C1 C2 120.0 . . ?
C2 C1 P1 117.0(6) . . ?
C1 C6 H6 120.0 . . ?
C1 C6 C5 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C5 H5 120.0 . . ?
C4 C5 C6 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C4 H4 120.0 . . ?
C5 C4 C3 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C3 H3 120.0 . . ?
C2 C3 C4 120.0 . . ?
C2 C3 H3 120.0 . . ?
C1 C2 H2 120.0 . . ?
C3 C2 C1 120.0 . . ?
C3 C2 H2 120.0 . . ?
C8 C7 P1 120.7(5) . . ?
C8 C7 C12 120.0 . . ?
C12 C7 P1 119.3(5) . . ?
C7 C8 H8 120.0 . . ?
C7 C8 C9 120.0 . . ?
C9 C8 H8 120.0 . . ?
C8 C9 H9 120.0 . . ?
C8 C9 C10 120.0 . . ?
C10 C9 H9 120.0 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 C9 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.0 . . ?
C12 C11 H11 120.0 . . ?
C7 C12 H12 120.0 . . ?
C11 C12 C7 120.0 . . ?
C11 C12 H12 120.0 . . ?
P1 C13 H13A 108.3 . . ?
P1 C13 H13B 108.3 . . ?
H13A C13 H13B 107.4 . . ?
C14 C13 P1 115.8(10) . . ?
C14 C13 H13A 108.3 . . ?
C14 C13 H13B 108.3 . . ?
N1 C14 C13 120.9(13) . . ?
N1 C14 C15 119.7(14) . . ?
C15 C14 C13 119.3(13) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 C14 120.0(15) . . ?
C16 C15 H15 120.0 . . ?
C15 C16 H16 120.1 . . ?
C17 C16 C15 119.7(16) . . ?
C17 C16 H16 120.1 . . ?
C16 C17 H17 119.6 . . ?
C16 C17 C18 120.8(15) . . ?
C18 C17 H17 119.6 . . ?
N1 C18 C17 119.8(13) . . ?
N1 C18 C19 119.2(13) . . ?
C17 C18 C19 121.0(13) . . ?
P2 C19 H19A 109.4 . . ?
P2 C19 H19B 109.4 . . ?
C18 C19 P2 111.4(11) . . ?
C18 C19 H19A 109.4 . . ?
C18 C19 H19B 109.4 . . ?
H19A C19 H19B 108.0 . . ?
C25 C20 P2 120.1(6) . . ?
C25 C20 C21 120.0 . . ?
C21 C20 P2 119.8(6) . . ?
C20 C25 H25 120.0 . . ?
C24 C25 C20 120.0 . . ?
C24 C25 H25 120.0 . . ?
C25 C24 H24 120.0 . . ?
C25 C24 C23 120.0 . . ?
C23 C24 H24 120.0 . . ?
C24 C23 H23 120.0 . . ?
C22 C23 C24 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C22 H22 120.0 . . ?
C21 C22 C23 120.0 . . ?
C21 C22 H22 120.0 . . ?
C20 C21 H21 120.0 . . ?
C22 C21 C20 120.0 . . ?
C22 C21 H21 120.0 . . ?
C31 C26 P2 115.6(6) . . ?
C31 C26 C27 120.0 . . ?
C27 C26 P2 124.4(6) . . ?
C26 C31 H31 120.0 . . ?
C26 C31 C30 120.0 . . ?
C30 C31 H31 120.0 . . ?
C31 C30 H30 120.0 . . ?
C29 C30 C31 120.0 . . ?
C29 C30 H30 120.0 . . ?
C30 C29 H29 120.0 . . ?
C30 C29 C28 120.0 . . ?
C28 C29 H29 120.0 . . ?
C29 C28 H28 120.0 . . ?
C27 C28 C29 120.0 . . ?
C27 C28 H28 120.0 . . ?
C26 C27 H27 120.0 . . ?
C28 C27 C26 120.0 . . ?
C28 C27 H27 120.0 . . ?
F2 B1 F1 108.8(16) . . ?
F2 B1 F3 109.0(18) . . ?
F2 B1 F4 109.0(17) . . ?
F3 B1 F1 111.3(16) . . ?
F3 B1 F4 108.6(15) . . ?
F4 B1 F1 110.1(17) . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C33 C32 H32A 109.5 . . ?
C33 C32 H32B 109.5 . . ?
C33 C32 H32C 109.5 . . ?
N2 C33 C32 176(3) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C9 H9 F3 0.95 2.50 3.197(14) 129.9 2_656 yes
C29 H29 F3 0.95 2.45 3.199(15) 136.0 4_665 yes

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
Au1 P1 C1 C6 -107.8(6) 3_666 . . . ?
Au1 P1 C1 C2 70.9(6) 3_666 . . . ?
Au1 P1 C7 C8 3.9(7) 3_666 . . . ?
Au1 P1 C7 C12 -177.1(5) 3_666 . . . ?
Au1 P1 C13 C14 -94.5(11) 3_666 . . . ?
Au1 N1 C14 C13 -7(2) . . . . ?
Au1 N1 C14 C15 177.3(11) . . . . ?
Au1 N1 C18 C17 -176.7(11) . . . . ?
Au1 N1 C18 C19 0.4(18) . . . . ?
Au2 P2 C19 C18 69.3(12) . . . . ?
Au2 P2 C20 C25 162.4(6) . . . . ?
Au2 P2 C20 C21 -21.4(8) . . . . ?
Au2 P2 C26 C31 -41.3(7) . . . . ?
Au2 P2 C26 C27 141.5(6) . . . . ?
P1 C1 C6 C5 178.7(8) . . . . ?
P1 C1 C2 C3 -178.7(8) . . . . ?
P1 C7 C8 C9 178.9(8) . . . . ?
P1 C7 C12 C11 -178.9(8) . . . . ?
P1 C13 C14 N1 68.4(17) . . . . ?
P1 C13 C14 C15 -116.1(14) . . . . ?
P2 C20 C25 C24 176.2(9) . . . . ?
P2 C20 C21 C22 -176.2(9) . . . . ?
P2 C26 C31 C30 -177.3(8) . . . . ?
P2 C26 C27 C28 177.0(9) . . . . ?
N1 C14 C15 C16 1(2) . . . . ?
N1 C18 C19 P2 -86.9(15) . . . . ?
C1 P1 C7 C8 120.6(6) . . . . ?
C1 P1 C7 C12 -60.5(7) . . . . ?
C1 P1 C13 C14 148.3(10) . . . . ?
C1 C6 C5 C4 0.0 . . . . ?
C6 C1 C2 C3 0.0 . . . . ?
C6 C5 C4 C3 0.0 . . . . ?
C5 C4 C3 C2 0.0 . . . . ?
C4 C3 C2 C1 0.0 . . . . ?
C2 C1 C6 C5 0.0 . . . . ?
C7 P1 C1 C6 128.2(7) . . . . ?
C7 P1 C1 C2 -53.1(7) . . . . ?
C7 P1 C13 C14 36.7(12) . . . . ?
C7 C8 C9 C10 0.0 . . . . ?
C8 C7 C12 C11 0.0 . . . . ?
C8 C9 C10 C11 0.0 . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C10 C11 C12 C7 0.0 . . . . ?
C12 C7 C8 C9 0.0 . . . . ?
C13 P1 C1 C6 16.5(8) . . . . ?
C13 P1 C1 C2 -164.8(7) . . . . ?
C13 P1 C7 C8 -127.2(7) . . . . ?
C13 P1 C7 C12 51.7(8) . . . . ?
C13 C14 C15 C16 -175.0(15) . . . . ?
C14 N1 C18 C17 2(2) . . . . ?
C14 N1 C18 C19 178.7(13) . . . . ?
C14 C15 C16 C17 -1(2) . . . . ?
C15 C16 C17 C18 2(2) . . . . ?
C16 C17 C18 N1 -2(2) . . . . ?
C16 C17 C18 C19 -179.0(15) . . . . ?
C17 C18 C19 P2 90.2(16) . . . . ?
C18 N1 C14 C13 174.6(13) . . . . ?
C18 N1 C14 C15 -1(2) . . . . ?
C19 P2 C20 C25 -69.9(8) . . . . ?
C19 P2 C20 C21 106.3(8) . . . . ?
C19 P2 C26 C31 -169.9(8) . . . . ?
C19 P2 C26 C27 13.0(10) . . . . ?
C20 P2 C19 C18 -54.6(12) . . . . ?
C20 P2 C26 C31 79.8(7) . . . . ?
C20 P2 C26 C27 -97.3(8) . . . . ?
C20 C25 C24 C23 0.0 . . . . ?
C25 C20 C21 C22 0.0 . . . . ?
C25 C24 C23 C22 0.0 . . . . ?
C24 C23 C22 C21 0.0 . . . . ?
C23 C22 C21 C20 0.0 . . . . ?
C21 C20 C25 C24 0.0 . . . . ?
C26 P2 C19 C18 -166.7(10) . . . . ?
C26 P2 C20 C25 42.1(8) . . . . ?
C26 P2 C20 C21 -141.7(7) . . . . ?
C26 C31 C30 C29 0.0 . . . . ?
C31 C26 C27 C28 0.0 . . . . ?
C31 C30 C29 C28 0.0 . . . . ?
C30 C29 C28 C27 0.0 . . . . ?
C29 C28 C27 C26 0.0 . . . . ?
C27 C26 C31 C30 0.0 . . . . ?


_olex2_exptl_crystal_mounting_method 
'The crystal was mounted on a 100 micro/m MITEGEN holder in perfluoroether oil'
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.9485(9)
2 0.0515(9)
####################################################################### 
# 
# 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_Complex_Fig2
_database_code_depnum_ccdc_archive 'CCDC 2168663'
loop_
_audit_author_name
_audit_author_address
'Francisco Molina Gonzalez'
;CIQSO
Spain
;
_audit_update_record             
;
2022-04-25 deposited with the CCDC.	2022-10-17 downloaded from the CCDC.
;
_audit_creation_date             2021-09-23
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C31 H27 Au2 Br2 N P2, C H2 Cl2'
_chemical_formula_sum            'C32 H29 Au2 Br2 Cl2 N P2'
_chemical_formula_weight         1114.15
_exptl_crystal_recrystallization_method 
'Crystallized from a mixture of hexane and dichloromethane by diffusion'
_chemical_melting_point          ?
_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_diffrn_ambient_temperature      150.0
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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'
_chemical_absolute_configuration .
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'

_cell_length_a                   15.7361(4)
_cell_length_b                   12.8876(3)
_cell_length_c                   16.5348(4)
_cell_angle_alpha                90
_cell_angle_beta                 90.4110(10)
_cell_angle_gamma                90
_cell_volume                     3353.18(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9343
_cell_measurement_temperature    150.0
_cell_measurement_theta_max      30.03
_cell_measurement_theta_min      2.59
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    11.402
_exptl_absorpt_correction_T_max  0.0990
_exptl_absorpt_correction_T_min  0.0403
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1402 before and 0.0695 after correction.
The Ratio of minimum to maximum transmission is 0.4071.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.207
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             2080
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.035
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0579
_diffrn_reflns_av_unetI/netI     0.0289
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            91509
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.080
_diffrn_reflns_theta_min         2.381
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'Bruker D8 Quest'
_diffrn_measurement_device_type  'Bruker CHi Fixed Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  multilayer
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed x-ray tube'
_diffrn_source_type              'Incoatec I/mS high brilliance'
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8266
_reflns_number_total             9836
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker Apex3, 2020'
_computing_data_collection       'Bruker Apex3, 2020'
_computing_data_reduction        'SAINT V8.40B (Bruker, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXL 2018/3 (Sheldrick, 2015)'
_refine_diff_density_max         1.755
_refine_diff_density_min         -1.748
_refine_diff_density_rms         0.150
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         9836
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0382
_refine_ls_R_factor_gt           0.0289
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0270P)²+13.0721P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0691
_refine_ls_wR_factor_ref         0.0732
_refine_special_details          
;
All H atoms were refined using a riding model, with a common U restrained
to be 1.2 times the equivalent isotropic displacement
parameter of the parent atom. 

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
2.a Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B), C19(H19A,H19B), C32(H32A,H32B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12),
 C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C21(H21), C22(H22), C23(H23),
  C24(H24), C25(H25), C27(H27), C28(H28), C29(H29), C30(H30), C31(H31)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Au1 Au 0.15621(2) 0.76966(2) 0.55547(2) 0.02431(4) Uani 1 1 d . . . . .
Au2 Au 0.27807(2) 0.52187(2) 0.59511(2) 0.02794(5) Uani 1 1 d . . . . .
Br1 Br 0.07128(3) 0.66139(4) 0.64229(3) 0.03223(10) Uani 1 1 d . . . . .
Br2 Br 0.36745(4) 0.62316(5) 0.68347(4) 0.05003(15) Uani 1 1 d . . . . .
P1 P 0.22854(7) 0.86892(9) 0.46875(6) 0.0230(2) Uani 1 1 d . . . . .
P2 P 0.20037(7) 0.41965(9) 0.51449(6) 0.0225(2) Uani 1 1 d . . . . .
N1 N 0.1991(2) 0.6349(3) 0.4208(2) 0.0233(7) Uani 1 1 d . . . . .
C1 C 0.1488(3) 0.5564(3) 0.3968(2) 0.0233(8) Uani 1 1 d . . . . .
C2 C 0.1295(3) 0.5390(4) 0.3155(3) 0.0296(9) Uani 1 1 d . . . . .
H2 H 0.093551 0.483247 0.299657 0.036 Uiso 1 1 calc R U . . .
C3 C 0.1639(3) 0.6043(4) 0.2587(3) 0.0336(10) Uani 1 1 d . . . . .
H3 H 0.152563 0.593263 0.202862 0.040 Uiso 1 1 calc R U . . .
C4 C 0.2151(3) 0.6863(4) 0.2829(3) 0.0276(9) Uani 1 1 d . . . . .
H4 H 0.238623 0.732632 0.244388 0.033 Uiso 1 1 calc R U . . .
C5 C 0.2311(3) 0.6987(3) 0.3647(3) 0.0233(8) Uani 1 1 d . . . . .
C6 C 0.2851(3) 0.7864(3) 0.3974(3) 0.0244(8) Uani 1 1 d . . . . .
H6A H 0.304908 0.829475 0.351693 0.029 Uiso 1 1 calc R U . . .
H6B H 0.335837 0.756946 0.424677 0.029 Uiso 1 1 calc R U . . .
C7 C 0.3098(3) 0.9532(4) 0.5115(3) 0.0281(9) Uani 1 1 d . . . . .
C8 C 0.3386(3) 1.0391(4) 0.4687(4) 0.0390(11) Uani 1 1 d . . . . .
H8 H 0.314750 1.055219 0.417272 0.047 Uiso 1 1 calc R U . . .
C9 C 0.4024(4) 1.1012(5) 0.5013(4) 0.0477(14) Uani 1 1 d . . . . .
H9 H 0.422358 1.159142 0.471378 0.057 Uiso 1 1 calc R U . . .
C10 C 0.4370(4) 1.0804(5) 0.5759(4) 0.0520(15) Uani 1 1 d . . . . .
H10 H 0.480011 1.123802 0.598077 0.062 Uiso 1 1 calc R U . . .
C11 C 0.4081(5) 0.9949(6) 0.6184(4) 0.0593(18) Uani 1 1 d . . . . .
H11 H 0.431780 0.979632 0.670013 0.071 Uiso 1 1 calc R U . . .
C12 C 0.3449(4) 0.9312(5) 0.5864(3) 0.0461(13) Uani 1 1 d . . . . .
H12 H 0.325942 0.872563 0.616060 0.055 Uiso 1 1 calc R U . . .
C13 C 0.1610(3) 0.9547(3) 0.4096(3) 0.0241(8) Uani 1 1 d . . . . .
C14 C 0.1655(3) 0.9641(4) 0.3261(3) 0.0286(9) Uani 1 1 d . . . . .
H14 H 0.203651 0.921705 0.296518 0.034 Uiso 1 1 calc R U . . .
C15 C 0.1143(3) 1.0357(4) 0.2857(3) 0.0323(10) Uani 1 1 d . . . . .
H15 H 0.117759 1.041946 0.228610 0.039 Uiso 1 1 calc R U . . .
C16 C 0.0585(3) 1.0976(4) 0.3278(3) 0.0343(10) Uani 1 1 d . . . . .
H16 H 0.023854 1.146428 0.299974 0.041 Uiso 1 1 calc R U . . .
C17 C 0.0532(3) 1.0878(4) 0.4122(3) 0.0327(10) Uani 1 1 d . . . . .
H17 H 0.014760 1.130056 0.441601 0.039 Uiso 1 1 calc R U . . .
C18 C 0.1036(3) 1.0174(4) 0.4524(3) 0.0289(9) Uani 1 1 d . . . . .
H18 H 0.099597 1.010961 0.509491 0.035 Uiso 1 1 calc R U . . .
C19 C 0.1141(3) 0.4876(3) 0.4621(3) 0.0238(8) Uani 1 1 d . . . . .
H19A H 0.074558 0.436341 0.437973 0.029 Uiso 1 1 calc R U . . .
H19B H 0.082044 0.530005 0.501395 0.029 Uiso 1 1 calc R U . . .
C20 C 0.2588(3) 0.3602(3) 0.4322(3) 0.0255(8) Uani 1 1 d . . . . .
C21 C 0.2204(4) 0.2836(4) 0.3848(3) 0.0365(11) Uani 1 1 d . . . . .
H21 H 0.165901 0.257814 0.398717 0.044 Uiso 1 1 calc R U . . .
C22 C 0.2615(4) 0.2454(4) 0.3177(3) 0.0421(12) Uani 1 1 d . . . . .
H22 H 0.234739 0.194557 0.284564 0.050 Uiso 1 1 calc R U . . .
C23 C 0.3415(4) 0.2811(5) 0.2987(4) 0.0508(15) Uani 1 1 d . . . . .
H23 H 0.370658 0.253152 0.253565 0.061 Uiso 1 1 calc R U . . .
C24 C 0.3791(4) 0.3569(7) 0.3449(4) 0.064(2) Uani 1 1 d . . . . .
H24 H 0.433852 0.381965 0.330876 0.077 Uiso 1 1 calc R U . . .
C25 C 0.3382(3) 0.3975(5) 0.4120(3) 0.0460(14) Uani 1 1 d . . . . .
H25 H 0.364499 0.450258 0.443643 0.055 Uiso 1 1 calc R U . . .
C26 C 0.1481(3) 0.3148(3) 0.5679(2) 0.0242(8) Uani 1 1 d . . . . .
C27 C 0.0623(3) 0.3189(4) 0.5858(3) 0.0350(11) Uani 1 1 d . . . . .
H27 H 0.029376 0.376560 0.568187 0.042 Uiso 1 1 calc R U . . .
C28 C 0.0238(3) 0.2397(4) 0.6290(3) 0.0372(11) Uani 1 1 d . . . . .
H28 H -0.035204 0.243032 0.640551 0.045 Uiso 1 1 calc R U . . .
C29 C 0.0710(4) 0.1567(4) 0.6550(3) 0.0357(11) Uani 1 1 d . . . . .
H29 H 0.044641 0.102372 0.684439 0.043 Uiso 1 1 calc R U . . .
C30 C 0.1573(4) 0.1518(4) 0.6384(3) 0.0411(12) Uani 1 1 d . . . . .
H30 H 0.189894 0.094024 0.656261 0.049 Uiso 1 1 calc R U . . .
C31 C 0.1960(3) 0.2318(4) 0.5957(3) 0.0356(11) Uani 1 1 d . . . . .
H31 H 0.255268 0.229387 0.585496 0.043 Uiso 1 1 calc R U . . .
Cl1 Cl 0.53455(10) 0.36054(12) 0.51434(10) 0.0508(3) Uani 1 1 d . . . . .
Cl2 Cl 0.53417(11) 0.32949(15) 0.69002(10) 0.0587(4) Uani 1 1 d . . . . .
C32 C 0.4806(4) 0.3809(6) 0.6051(5) 0.0604(18) Uani 1 1 d . . . . .
H32A H 0.423558 0.348733 0.601011 0.073 Uiso 1 1 calc R U . . .
H32B H 0.472549 0.456427 0.613007 0.073 Uiso 1 1 calc R U . . .


_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
Au1 Br1 2.4127(5) . ?
Au1 P1 2.2387(11) . ?
Au2 Br2 2.4058(6) . ?
Au2 P2 2.2323(11) . ?
P1 C6 1.824(4) . ?
P1 C7 1.818(5) . ?
P1 C13 1.815(4) . ?
P2 C19 1.828(4) . ?
P2 C20 1.817(4) . ?
P2 C26 1.814(4) . ?
N1 C1 1.342(6) . ?
N1 C5 1.340(5) . ?
C1 C2 1.395(6) . ?
C1 C19 1.503(6) . ?
C2 H2 0.9500 . ?
C2 C3 1.375(7) . ?
C3 H3 0.9500 . ?
C3 C4 1.386(7) . ?
C4 H4 0.9500 . ?
C4 C5 1.383(6) . ?
C5 C6 1.513(6) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.391(7) . ?
C7 C12 1.382(7) . ?
C8 H8 0.9500 . ?
C8 C9 1.389(8) . ?
C9 H9 0.9500 . ?
C9 C10 1.372(9) . ?
C10 H10 0.9500 . ?
C10 C11 1.384(10) . ?
C11 H11 0.9500 . ?
C11 C12 1.391(8) . ?
C12 H12 0.9500 . ?
C13 C14 1.388(6) . ?
C13 C18 1.407(6) . ?
C14 H14 0.9500 . ?
C14 C15 1.393(7) . ?
C15 H15 0.9500 . ?
C15 C16 1.378(7) . ?
C16 H16 0.9500 . ?
C16 C17 1.404(7) . ?
C17 H17 0.9500 . ?
C17 C18 1.373(7) . ?
C18 H18 0.9500 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.395(7) . ?
C20 C25 1.383(7) . ?
C21 H21 0.9500 . ?
C21 C22 1.380(7) . ?
C22 H22 0.9500 . ?
C22 C23 1.379(8) . ?
C23 H23 0.9500 . ?
C23 C24 1.372(9) . ?
C24 H24 0.9500 . ?
C24 C25 1.389(8) . ?
C25 H25 0.9500 . ?
C26 C27 1.385(6) . ?
C26 C31 1.385(7) . ?
C27 H27 0.9500 . ?
C27 C28 1.388(7) . ?
C28 H28 0.9500 . ?
C28 C29 1.370(7) . ?
C29 H29 0.9500 . ?
C29 C30 1.389(8) . ?
C30 H30 0.9500 . ?
C30 C31 1.392(7) . ?
C31 H31 0.9500 . ?
Cl1 C32 1.749(7) . ?
Cl2 C32 1.763(7) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?

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
P1 Au1 Br1 176.30(3) . . ?
P2 Au2 Br2 176.50(3) . . ?
C6 P1 Au1 109.49(14) . . ?
C7 P1 Au1 116.87(16) . . ?
C7 P1 C6 104.8(2) . . ?
C13 P1 Au1 113.26(15) . . ?
C13 P1 C6 107.0(2) . . ?
C13 P1 C7 104.7(2) . . ?
C19 P2 Au2 113.69(15) . . ?
C20 P2 Au2 114.72(15) . . ?
C20 P2 C19 103.0(2) . . ?
C26 P2 Au2 113.39(14) . . ?
C26 P2 C19 104.4(2) . . ?
C26 P2 C20 106.5(2) . . ?
C5 N1 C1 118.8(4) . . ?
N1 C1 C2 122.0(4) . . ?
N1 C1 C19 116.7(4) . . ?
C2 C1 C19 121.3(4) . . ?
C1 C2 H2 120.8 . . ?
C3 C2 C1 118.4(4) . . ?
C3 C2 H2 120.8 . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.1(4) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 120.9 . . ?
C5 C4 C3 118.1(4) . . ?
C5 C4 H4 120.9 . . ?
N1 C5 C4 122.7(4) . . ?
N1 C5 C6 115.1(4) . . ?
C4 C5 C6 122.3(4) . . ?
P1 C6 H6A 109.0 . . ?
P1 C6 H6B 109.0 . . ?
C5 C6 P1 113.1(3) . . ?
C5 C6 H6A 109.0 . . ?
C5 C6 H6B 109.0 . . ?
H6A C6 H6B 107.8 . . ?
C8 C7 P1 120.6(4) . . ?
C12 C7 P1 120.1(4) . . ?
C12 C7 C8 119.3(5) . . ?
C7 C8 H8 120.1 . . ?
C9 C8 C7 119.9(5) . . ?
C9 C8 H8 120.1 . . ?
C8 C9 H9 119.4 . . ?
C10 C9 C8 121.1(6) . . ?
C10 C9 H9 119.4 . . ?
C9 C10 H10 120.6 . . ?
C9 C10 C11 118.8(5) . . ?
C11 C10 H10 120.6 . . ?
C10 C11 H11 119.5 . . ?
C10 C11 C12 120.9(6) . . ?
C12 C11 H11 119.5 . . ?
C7 C12 C11 119.9(6) . . ?
C7 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C14 C13 P1 123.7(3) . . ?
C14 C13 C18 119.2(4) . . ?
C18 C13 P1 117.0(3) . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C15 120.1(4) . . ?
C15 C14 H14 120.0 . . ?
C14 C15 H15 119.7 . . ?
C16 C15 C14 120.6(4) . . ?
C16 C15 H15 119.7 . . ?
C15 C16 H16 120.2 . . ?
C15 C16 C17 119.5(4) . . ?
C17 C16 H16 120.2 . . ?
C16 C17 H17 119.9 . . ?
C18 C17 C16 120.1(4) . . ?
C18 C17 H17 119.9 . . ?
C13 C18 H18 119.8 . . ?
C17 C18 C13 120.4(4) . . ?
C17 C18 H18 119.8 . . ?
P2 C19 H19A 109.5 . . ?
P2 C19 H19B 109.5 . . ?
C1 C19 P2 110.6(3) . . ?
C1 C19 H19A 109.5 . . ?
C1 C19 H19B 109.5 . . ?
H19A C19 H19B 108.1 . . ?
C21 C20 P2 120.0(3) . . ?
C25 C20 P2 119.8(4) . . ?
C25 C20 C21 119.9(4) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 C20 120.1(5) . . ?
C22 C21 H21 119.9 . . ?
C21 C22 H22 120.1 . . ?
C23 C22 C21 119.8(5) . . ?
C23 C22 H22 120.1 . . ?
C22 C23 H23 119.9 . . ?
C24 C23 C22 120.2(5) . . ?
C24 C23 H23 119.9 . . ?
C23 C24 H24 119.6 . . ?
C23 C24 C25 120.8(6) . . ?
C25 C24 H24 119.6 . . ?
C20 C25 C24 119.1(5) . . ?
C20 C25 H25 120.4 . . ?
C24 C25 H25 120.4 . . ?
C27 C26 P2 121.5(3) . . ?
C31 C26 P2 119.3(4) . . ?
C31 C26 C27 119.1(4) . . ?
C26 C27 H27 119.6 . . ?
C26 C27 C28 120.8(5) . . ?
C28 C27 H27 119.6 . . ?
C27 C28 H28 120.1 . . ?
C29 C28 C27 119.9(5) . . ?
C29 C28 H28 120.1 . . ?
C28 C29 H29 119.9 . . ?
C28 C29 C30 120.2(5) . . ?
C30 C29 H29 119.9 . . ?
C29 C30 H30 120.1 . . ?
C29 C30 C31 119.9(5) . . ?
C31 C30 H30 120.1 . . ?
C26 C31 C30 120.1(5) . . ?
C26 C31 H31 119.9 . . ?
C30 C31 H31 119.9 . . ?
Cl1 C32 Cl2 113.2(3) . . ?
Cl1 C32 H32A 108.9 . . ?
Cl1 C32 H32B 108.9 . . ?
Cl2 C32 H32A 108.9 . . ?
Cl2 C32 H32B 108.9 . . ?
H32A C32 H32B 107.7 . . ?

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
Au1 P1 C6 C5 44.8(3) . . . . ?
Au1 P1 C7 C8 -159.5(4) . . . . ?
Au1 P1 C7 C12 21.9(5) . . . . ?
Au1 P1 C13 C14 -130.6(4) . . . . ?
Au1 P1 C13 C18 51.9(4) . . . . ?
Au2 P2 C19 C1 72.3(3) . . . . ?
Au2 P2 C20 C21 171.0(4) . . . . ?
Au2 P2 C20 C25 -15.0(5) . . . . ?
Au2 P2 C26 C27 102.8(4) . . . . ?
Au2 P2 C26 C31 -73.3(4) . . . . ?
P1 C7 C8 C9 -178.3(4) . . . . ?
P1 C7 C12 C11 178.9(5) . . . . ?
P1 C13 C14 C15 -176.8(4) . . . . ?
P1 C13 C18 C17 176.9(4) . . . . ?
P2 C20 C21 C22 173.9(4) . . . . ?
P2 C20 C25 C24 -174.8(5) . . . . ?
P2 C26 C27 C28 -177.8(4) . . . . ?
P2 C26 C31 C30 178.5(4) . . . . ?
N1 C1 C2 C3 0.3(7) . . . . ?
N1 C1 C19 P2 -63.6(4) . . . . ?
N1 C5 C6 P1 -57.9(5) . . . . ?
C1 N1 C5 C4 -0.8(6) . . . . ?
C1 N1 C5 C6 178.4(4) . . . . ?
C1 C2 C3 C4 -1.1(8) . . . . ?
C2 C1 C19 P2 116.1(4) . . . . ?
C2 C3 C4 C5 0.9(7) . . . . ?
C3 C4 C5 N1 0.0(7) . . . . ?
C3 C4 C5 C6 -179.1(4) . . . . ?
C4 C5 C6 P1 121.3(4) . . . . ?
C5 N1 C1 C2 0.7(6) . . . . ?
C5 N1 C1 C19 -179.6(4) . . . . ?
C6 P1 C7 C8 79.1(5) . . . . ?
C6 P1 C7 C12 -99.5(5) . . . . ?
C6 P1 C13 C14 -9.9(4) . . . . ?
C6 P1 C13 C18 172.7(3) . . . . ?
C7 P1 C6 C5 170.9(3) . . . . ?
C7 P1 C13 C14 101.0(4) . . . . ?
C7 P1 C13 C18 -76.5(4) . . . . ?
C7 C8 C9 C10 -0.9(9) . . . . ?
C8 C7 C12 C11 0.3(9) . . . . ?
C8 C9 C10 C11 0.9(10) . . . . ?
C9 C10 C11 C12 -0.2(11) . . . . ?
C10 C11 C12 C7 -0.4(11) . . . . ?
C12 C7 C8 C9 0.3(8) . . . . ?
C13 P1 C6 C5 -78.4(3) . . . . ?
C13 P1 C7 C8 -33.4(5) . . . . ?
C13 P1 C7 C12 148.0(4) . . . . ?
C13 C14 C15 C16 -0.2(7) . . . . ?
C14 C13 C18 C17 -0.7(7) . . . . ?
C14 C15 C16 C17 -0.3(7) . . . . ?
C15 C16 C17 C18 0.2(7) . . . . ?
C16 C17 C18 C13 0.2(7) . . . . ?
C18 C13 C14 C15 0.7(7) . . . . ?
C19 P2 C20 C21 -65.0(4) . . . . ?
C19 P2 C20 C25 109.1(5) . . . . ?
C19 P2 C26 C27 -21.5(4) . . . . ?
C19 P2 C26 C31 162.4(4) . . . . ?
C19 C1 C2 C3 -179.4(4) . . . . ?
C20 P2 C19 C1 -52.4(3) . . . . ?
C20 P2 C26 C27 -130.1(4) . . . . ?
C20 P2 C26 C31 53.8(4) . . . . ?
C20 C21 C22 C23 1.6(9) . . . . ?
C21 C20 C25 C24 -0.8(9) . . . . ?
C21 C22 C23 C24 -2.1(10) . . . . ?
C22 C23 C24 C25 1.1(12) . . . . ?
C23 C24 C25 C20 0.3(11) . . . . ?
C25 C20 C21 C22 -0.2(8) . . . . ?
C26 P2 C19 C1 -163.6(3) . . . . ?
C26 P2 C20 C21 44.6(4) . . . . ?
C26 P2 C20 C25 -141.3(4) . . . . ?
C26 C27 C28 C29 0.5(8) . . . . ?
C27 C26 C31 C30 2.3(8) . . . . ?
C27 C28 C29 C30 0.2(8) . . . . ?
C28 C29 C30 C31 0.3(8) . . . . ?
C29 C30 C31 C26 -1.6(8) . . . . ?
C31 C26 C27 C28 -1.7(8) . . . . ?

_olex2_exptl_crystal_mounting_method 
'The crystal was mounted on a 200 micro/m MITEGEN holder in perfluoroether oil'
_olex2_submission_special_instructions 'No special instructions were received'

####################################################################### 
# 
# 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_Complex_Fig1
_database_code_depnum_ccdc_archive 'CCDC 2168683'
loop_
_audit_author_name
_audit_author_address
'Francisco Molina Gonzalez'
;CIQSO
Spain
;
_audit_update_record             
;
2022-04-25 deposited with the CCDC.	2022-10-17 downloaded from the CCDC.
;
_audit_creation_date             2017-05-04
_audit_creation_method           
; 
Olex2 1.2 
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335) 
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C31 H27 Au2 Cl2 N P2, 0.5(C H2 Cl2)'
_chemical_formula_sum            'C31.50 H28 Au2 Cl3 N P2'
_chemical_properties_physical    'air-sensitive, moisture-sensitive'
_chemical_formula_weight         982.77
_exptl_crystal_recrystallization_method 
'From a mixture of DCM and diethyl ether by saturate solution at r.t.'
_chemical_melting_point          ?
_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_diffrn_ambient_temperature      100.0
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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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. 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_chemical_absolute_configuration .
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.9762(4)
_cell_length_b                   12.4423(5)
_cell_length_c                   14.4881(7)
_cell_angle_alpha                90.049(2)
_cell_angle_beta                 95.592(2)
_cell_angle_gamma                107.456(2)
_cell_volume                     1535.46(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9934
_cell_measurement_temperature    100
_cell_measurement_theta_max      33.20
_cell_measurement_theta_min      2.39
_shelx_estimated_absorpt_T_max   0.486
_shelx_estimated_absorpt_T_min   0.358
_exptl_absorpt_coefficient_mu    9.932
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_correction_T_min  0.5249
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. 
wR2(int) was 0.1031 before and 0.0754 after correction. 
The Ratio of minimum to maximum transmission is 0.7031. 
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.126
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             926
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.105
_exptl_crystal_size_min          0.085
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0721
_diffrn_reflns_av_unetI/netI     0.0237
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            148921
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.034
_diffrn_reflns_theta_min         2.258
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'Bruker D8 Quest'
_diffrn_measurement_device_type  'D8_Quest_Mo Huelva'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  multilayer
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed x-ray tube'
_diffrn_source_type              'Incoatec I/mS high brilliance'
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        .
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7972
_reflns_number_total             8988
_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker Apex3, 2016'
_computing_data_collection       'Bruker Apex3, 2016'
_computing_data_reduction        'SAINT v8.35A (Bruker, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2014)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         0.717
_refine_diff_density_min         -0.953
_refine_diff_density_rms         0.124
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         8988
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0239
_refine_ls_R_factor_gt           0.0177
_refine_ls_restrained_S_all      1.094
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0090P)²+1.4440P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0355
_refine_ls_wR_factor_ref         0.0369
_refine_special_details          
;
All H atoms were refined using a riding model, with a common U restrained
to be 1.2 times the equivalent isotropic displacement
parameter of the parent atom. 

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 
2. Restrained distances 
 Cl3-C32 = Cl4-C32 
 1.771 with sigma of 0.01 
 Cl3-Cl4 
 2.916 with sigma of 0.03 
3. Uiso/Uaniso restraints and constraints 
Cl3 \\sim Cl4 \\sim C32: within 2A with sigma of 0.04 and sigma for terminal 
atoms of 0.08 
4. Rigid body (RIGU) restrains 
 Cl3, Cl4, C32 
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004 
5. Others 
 Fixed Sof: Cl3(0.5) Cl4(0.5) C32(0.5) H32A(0.5) H32B(0.5) 
6.a Secondary CH2 refined with riding coordinates: 
 C6(H6A,H6B), C19(H19A,H19B), C32(H32A,H32B) 
6.b Aromatic/amide H refined with riding coordinates: 
 C2(H2), C3(H3), C4(H4), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), 
 C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21), 
 C22(H22), C23(H23), C24(H24), C27(H27), C28(H28), C29(H29), 
 C30(H30), C31(H31) 
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Au1 Au 0.63954(2) 0.79110(2) 0.16960(2) 0.01141(2) Uani 1 1 d . . . . .
Au2 Au 0.74385(2) 0.58998(2) 0.28969(2) 0.01113(2) Uani 1 1 d . . . . .
Cl1 Cl 0.78475(7) 0.71648(5) 0.07937(4) 0.01520(11) Uani 1 1 d . . . . .
Cl2 Cl 0.92446(7) 0.74740(5) 0.36213(4) 0.01530(11) Uani 1 1 d . . . . .
P1 P 0.48308(7) 0.85818(5) 0.24883(4) 0.01084(11) Uani 1 1 d . . . . .
P2 P 0.57651(7) 0.43263(5) 0.22260(4) 0.01108(11) Uani 1 1 d . . . . .
N1 N 0.3789(2) 0.59059(16) 0.21322(14) 0.0116(4) Uani 1 1 d . . . . .
C1 C 0.3281(3) 0.50565(19) 0.14970(16) 0.0119(4) Uani 1 1 d . . . . .
C2 C 0.1731(3) 0.4691(2) 0.10966(18) 0.0171(5) Uani 1 1 d . . . . .
H2 H 0.1392 0.4077 0.0658 0.021 Uiso 1 1 calc R . . . .
C3 C 0.0693(3) 0.5242(2) 0.1352(2) 0.0221(6) Uani 1 1 d . . . . .
H3 H -0.0369 0.5012 0.1088 0.027 Uiso 1 1 calc R . . . .
C4 C 0.1223(3) 0.6133(2) 0.19989(18) 0.0185(5) Uani 1 1 d . . . . .
H4 H 0.0535 0.6528 0.2179 0.022 Uiso 1 1 calc R . . . .
C5 C 0.2777(3) 0.64342(19) 0.23768(16) 0.0128(4) Uani 1 1 d . . . . .
C6 C 0.3490(3) 0.74204(19) 0.30541(16) 0.0135(4) Uani 1 1 d . . . . .
H6A H 0.4070 0.7183 0.3593 0.016 Uiso 1 1 calc R . . . .
H6B H 0.2646 0.7677 0.3284 0.016 Uiso 1 1 calc R . . . .
C7 C 0.3613(3) 0.92564(19) 0.17770(16) 0.0121(4) Uani 1 1 d . . . . .
C8 C 0.2023(3) 0.9076(2) 0.18694(17) 0.0154(5) Uani 1 1 d . . . . .
H8 H 0.1515 0.8551 0.2301 0.018 Uiso 1 1 calc R . . . .
C9 C 0.1183(3) 0.9664(2) 0.13278(18) 0.0170(5) Uani 1 1 d . . . . .
H9 H 0.0100 0.9536 0.1389 0.020 Uiso 1 1 calc R . . . .
C10 C 0.1914(3) 1.0435(2) 0.07006(18) 0.0178(5) Uani 1 1 d . . . . .
H10 H 0.1336 1.0834 0.0332 0.021 Uiso 1 1 calc R . . . .
C11 C 0.3505(3) 1.0622(2) 0.06128(17) 0.0168(5) Uani 1 1 d . . . . .
H11 H 0.4012 1.1155 0.0187 0.020 Uiso 1 1 calc R . . . .
C12 C 0.4347(3) 1.0035(2) 0.11442(17) 0.0151(5) Uani 1 1 d . . . . .
H12 H 0.5429 1.0163 0.1078 0.018 Uiso 1 1 calc R . . . .
C13 C 0.5808(3) 0.96258(19) 0.33978(16) 0.0120(4) Uani 1 1 d . . . . .
C14 C 0.5111(3) 1.0416(2) 0.36763(17) 0.0160(5) Uani 1 1 d . . . . .
H14 H 0.4093 1.0392 0.3406 0.019 Uiso 1 1 calc R . . . .
C15 C 0.5898(3) 1.1237(2) 0.43469(18) 0.0182(5) Uani 1 1 d . . . . .
H15 H 0.5422 1.1778 0.4532 0.022 Uiso 1 1 calc R . . . .
C16 C 0.7373(3) 1.1272(2) 0.47480(17) 0.0183(5) Uani 1 1 d . . . . .
H16 H 0.7921 1.1846 0.5198 0.022 Uiso 1 1 calc R . . . .
C17 C 0.8049(3) 1.0470(2) 0.44930(19) 0.0212(5) Uani 1 1 d . . . . .
H17 H 0.9046 1.0478 0.4787 0.025 Uiso 1 1 calc R . . . .
C18 C 0.7286(3) 0.9650(2) 0.38091(18) 0.0184(5) Uani 1 1 d . . . . .
H18 H 0.7768 0.9112 0.3625 0.022 Uiso 1 1 calc R . . . .
C19 C 0.4492(3) 0.4545(2) 0.12241(16) 0.0124(4) Uani 1 1 d . . . . .
H19A H 0.5144 0.5045 0.0790 0.015 Uiso 1 1 calc R . . . .
H19B H 0.3960 0.3812 0.0895 0.015 Uiso 1 1 calc R . . . .
C20 C 0.3323(2) 0.24892(18) 0.27056(16) 0.0096(4) Uani 1 1 d . . . . .
H20 H 0.3306 0.2210 0.2093 0.012 Uiso 1 1 calc R . . . .
C21 C 0.2260(3) 0.1869(2) 0.32651(19) 0.0185(5) Uani 1 1 d . . . . .
H21 H 0.1533 0.1168 0.3048 0.022 Uiso 1 1 calc R . . . .
C22 C 0.2264(3) 0.2280(2) 0.41517(19) 0.0207(5) Uani 1 1 d . . . . .
H22 H 0.1527 0.1865 0.4547 0.025 Uiso 1 1 calc R . . . .
C23 C 0.3338(3) 0.3294(2) 0.44669(19) 0.0221(6) Uani 1 1 d . . . . .
H23 H 0.3341 0.3572 0.5078 0.027 Uiso 1 1 calc R . . . .
C24 C 0.4411(3) 0.3906(2) 0.38886(17) 0.0179(5) Uani 1 1 d . . . . .
H24 H 0.5146 0.4605 0.4104 0.021 Uiso 1 1 calc R . . . .
C25 C 0.4414(3) 0.3498(2) 0.29915(16) 0.0123(4) Uani 1 1 d . . . . .
C26 C 0.6752(3) 0.3390(2) 0.17776(17) 0.0139(5) Uani 1 1 d . . . . .
C27 C 0.7574(3) 0.2878(2) 0.2418(2) 0.0225(6) Uani 1 1 d . . . . .
H27 H 0.7553 0.2995 0.3064 0.027 Uiso 1 1 calc R . . . .
C28 C 0.8419(3) 0.2202(3) 0.2116(2) 0.0277(6) Uani 1 1 d . . . . .
H28 H 0.8964 0.1850 0.2555 0.033 Uiso 1 1 calc R . . . .
C29 C 0.8467(3) 0.2039(2) 0.1175(2) 0.0271(6) Uani 1 1 d . . . . .
H29 H 0.9057 0.1583 0.0969 0.032 Uiso 1 1 calc R . . . .
C30 C 0.7660(3) 0.2536(2) 0.0534(2) 0.0238(6) Uani 1 1 d . . . . .
H30 H 0.7695 0.2420 -0.0111 0.029 Uiso 1 1 calc R . . . .
C31 C 0.6799(3) 0.3205(2) 0.08316(18) 0.0173(5) Uani 1 1 d . . . . .
H31 H 0.6237 0.3540 0.0389 0.021 Uiso 1 1 calc R . . . .
Cl3 Cl 0.1806(5) 0.5650(3) 0.4921(3) 0.0330(6) Uani 0.5 1 d D U P A -1
Cl4 Cl -0.1435(5) 0.4578(4) 0.5266(4) 0.0700(14) Uani 0.5 1 d D U P A -1
C32 C 0.0068(6) 0.4593(5) 0.4562(5) 0.0355(14) Uani 0.5 1 d D U P A -1
H32A H 0.0267 0.3852 0.4584 0.043 Uiso 0.5 1 calc R . P A -1
H32B H -0.0280 0.4713 0.3911 0.043 Uiso 0.5 1 calc R . P A -1


_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
Au1 Cl1 2.3078(6) . ?
Au1 P1 2.2365(6) . ?
Au2 Cl2 2.3078(6) . ?
Au2 P2 2.2320(6) . ?
P1 C6 1.833(2) . ?
P1 C7 1.815(2) . ?
P1 C13 1.811(2) . ?
P2 C19 1.830(2) . ?
P2 C25 1.810(2) . ?
P2 C26 1.815(2) . ?
N1 C1 1.341(3) . ?
N1 C5 1.343(3) . ?
C1 C2 1.393(3) . ?
C1 C19 1.498(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.388(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.389(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.387(3) . ?
C5 C6 1.511(3) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.397(3) . ?
C7 C12 1.397(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.392(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.384(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.394(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.385(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.392(3) . ?
C13 C18 1.392(3) . ?
C14 H14 0.9500 . ?
C14 C15 1.385(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.381(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.381(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.392(4) . ?
C18 H18 0.9500 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20 0.9500 . ?
C20 C21 1.369(3) . ?
C20 C25 1.375(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.382(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.383(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.389(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.395(3) . ?
C26 C27 1.399(4) . ?
C26 C31 1.396(3) . ?
C27 H27 0.9500 . ?
C27 C28 1.386(4) . ?
C28 H28 0.9500 . ?
C28 C29 1.386(4) . ?
C29 H29 0.9500 . ?
C29 C30 1.381(4) . ?
C30 H30 0.9500 . ?
C30 C31 1.389(4) . ?
C31 H31 0.9500 . ?
Cl3 C32 1.745(6) . ?
Cl4 C32 1.765(7) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?

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
P1 Au1 Cl1 175.59(2) . . ?
P2 Au2 Cl2 177.17(2) . . ?
C6 P1 Au1 109.46(8) . . ?
C7 P1 Au1 114.16(8) . . ?
C7 P1 C6 106.56(11) . . ?
C13 P1 Au1 115.94(8) . . ?
C13 P1 C6 106.05(11) . . ?
C13 P1 C7 103.95(11) . . ?
C19 P2 Au2 114.95(8) . . ?
C25 P2 Au2 113.83(8) . . ?
C25 P2 C19 104.12(11) . . ?
C25 P2 C26 106.21(11) . . ?
C26 P2 Au2 112.70(8) . . ?
C26 P2 C19 104.04(11) . . ?
C1 N1 C5 118.8(2) . . ?
N1 C1 C2 122.2(2) . . ?
N1 C1 C19 115.9(2) . . ?
C2 C1 C19 121.9(2) . . ?
C1 C2 H2 120.7 . . ?
C3 C2 C1 118.6(2) . . ?
C3 C2 H2 120.7 . . ?
C2 C3 H3 120.3 . . ?
C2 C3 C4 119.3(2) . . ?
C4 C3 H3 120.3 . . ?
C3 C4 H4 120.7 . . ?
C5 C4 C3 118.6(2) . . ?
C5 C4 H4 120.7 . . ?
N1 C5 C4 122.5(2) . . ?
N1 C5 C6 114.6(2) . . ?
C4 C5 C6 122.8(2) . . ?
P1 C6 H6A 109.6 . . ?
P1 C6 H6B 109.6 . . ?
C5 C6 P1 110.15(16) . . ?
C5 C6 H6A 109.6 . . ?
C5 C6 H6B 109.6 . . ?
H6A C6 H6B 108.1 . . ?
C8 C7 P1 123.25(18) . . ?
C12 C7 P1 117.25(18) . . ?
C12 C7 C8 119.4(2) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 C7 119.9(2) . . ?
C9 C8 H8 120.0 . . ?
C8 C9 H9 119.8 . . ?
C10 C9 C8 120.5(2) . . ?
C10 C9 H9 119.8 . . ?
C9 C10 H10 120.2 . . ?
C9 C10 C11 119.6(2) . . ?
C11 C10 H10 120.2 . . ?
C10 C11 H11 119.9 . . ?
C12 C11 C10 120.3(2) . . ?
C12 C11 H11 119.9 . . ?
C7 C12 H12 119.9 . . ?
C11 C12 C7 120.2(2) . . ?
C11 C12 H12 119.9 . . ?
C14 C13 P1 120.74(18) . . ?
C18 C13 P1 119.49(18) . . ?
C18 C13 C14 119.8(2) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 C13 120.1(2) . . ?
C15 C14 H14 119.9 . . ?
C14 C15 H15 119.9 . . ?
C16 C15 C14 120.2(2) . . ?
C16 C15 H15 119.9 . . ?
C15 C16 H16 120.1 . . ?
C17 C16 C15 119.8(2) . . ?
C17 C16 H16 120.1 . . ?
C16 C17 H17 119.7 . . ?
C16 C17 C18 120.7(2) . . ?
C18 C17 H17 119.7 . . ?
C13 C18 C17 119.3(2) . . ?
C13 C18 H18 120.3 . . ?
C17 C18 H18 120.3 . . ?
P2 C19 H19A 109.1 . . ?
P2 C19 H19B 109.1 . . ?
C1 C19 P2 112.28(16) . . ?
C1 C19 H19A 109.1 . . ?
C1 C19 H19B 109.1 . . ?
H19A C19 H19B 107.9 . . ?
C21 C20 H20 118.6 . . ?
C21 C20 C25 122.9(2) . . ?
C25 C20 H20 118.6 . . ?
C20 C21 H21 120.6 . . ?
C20 C21 C22 118.7(2) . . ?
C22 C21 H21 120.6 . . ?
C21 C22 H22 119.8 . . ?
C21 C22 C23 120.3(2) . . ?
C23 C22 H22 119.8 . . ?
C22 C23 H23 120.0 . . ?
C22 C23 C24 119.9(2) . . ?
C24 C23 H23 120.0 . . ?
C23 C24 H24 119.9 . . ?
C23 C24 C25 120.1(2) . . ?
C25 C24 H24 119.9 . . ?
C20 C25 P2 122.04(18) . . ?
C20 C25 C24 118.0(2) . . ?
C24 C25 P2 119.91(18) . . ?
C27 C26 P2 117.86(19) . . ?
C31 C26 P2 123.26(19) . . ?
C31 C26 C27 118.8(2) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 C26 120.5(3) . . ?
C28 C27 H27 119.7 . . ?
C27 C28 H28 120.1 . . ?
C29 C28 C27 119.9(3) . . ?
C29 C28 H28 120.1 . . ?
C28 C29 H29 119.8 . . ?
C30 C29 C28 120.3(3) . . ?
C30 C29 H29 119.8 . . ?
C29 C30 H30 120.0 . . ?
C29 C30 C31 120.0(3) . . ?
C31 C30 H30 120.0 . . ?
C26 C31 H31 119.8 . . ?
C30 C31 C26 120.4(2) . . ?
C30 C31 H31 119.8 . . ?
Cl3 C32 Cl4 111.8(4) . . ?
Cl3 C32 H32A 109.3 . . ?
Cl3 C32 H32B 109.3 . . ?
Cl4 C32 H32A 109.3 . . ?
Cl4 C32 H32B 109.3 . . ?
H32A C32 H32B 107.9 . . ?

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
Au1 P1 C6 C5 -46.53(18) . . . . ?
Au1 P1 C7 C8 135.85(18) . . . . ?
Au1 P1 C7 C12 -47.6(2) . . . . ?
Au1 P1 C13 C14 153.89(17) . . . . ?
Au1 P1 C13 C18 -24.9(2) . . . . ?
Au2 P2 C19 C1 -70.69(17) . . . . ?
Au2 P2 C25 C20 -178.45(17) . . . . ?
Au2 P2 C25 C24 4.6(2) . . . . ?
Au2 P2 C26 C27 67.5(2) . . . . ?
Au2 P2 C26 C31 -109.0(2) . . . . ?
P1 C7 C8 C9 176.99(19) . . . . ?
P1 C7 C12 C11 -176.78(19) . . . . ?
P1 C13 C14 C15 -177.45(19) . . . . ?
P1 C13 C18 C17 178.5(2) . . . . ?
P2 C26 C27 C28 -176.6(2) . . . . ?
P2 C26 C31 C30 175.8(2) . . . . ?
N1 C1 C2 C3 1.3(4) . . . . ?
N1 C1 C19 P2 43.5(3) . . . . ?
N1 C5 C6 P1 69.2(2) . . . . ?
C1 N1 C5 C4 0.2(3) . . . . ?
C1 N1 C5 C6 -176.6(2) . . . . ?
C1 C2 C3 C4 -0.3(4) . . . . ?
C2 C1 C19 P2 -138.2(2) . . . . ?
C2 C3 C4 C5 -0.7(4) . . . . ?
C3 C4 C5 N1 0.8(4) . . . . ?
C3 C4 C5 C6 177.3(2) . . . . ?
C4 C5 C6 P1 -107.5(2) . . . . ?
C5 N1 C1 C2 -1.3(3) . . . . ?
C5 N1 C1 C19 177.1(2) . . . . ?
C6 P1 C7 C8 14.9(2) . . . . ?
C6 P1 C7 C12 -168.51(18) . . . . ?
C6 P1 C13 C14 -84.4(2) . . . . ?
C6 P1 C13 C18 96.8(2) . . . . ?
C7 P1 C6 C5 77.38(18) . . . . ?
C7 P1 C13 C14 27.7(2) . . . . ?
C7 P1 C13 C18 -151.0(2) . . . . ?
C7 C8 C9 C10 -0.4(4) . . . . ?
C8 C7 C12 C11 0.0(4) . . . . ?
C8 C9 C10 C11 -0.1(4) . . . . ?
C9 C10 C11 C12 0.5(4) . . . . ?
C10 C11 C12 C7 -0.4(4) . . . . ?
C12 C7 C8 C9 0.5(4) . . . . ?
C13 P1 C6 C5 -172.30(16) . . . . ?
C13 P1 C7 C8 -96.9(2) . . . . ?
C13 P1 C7 C12 79.7(2) . . . . ?
C13 C14 C15 C16 -0.5(4) . . . . ?
C14 C13 C18 C17 -0.3(4) . . . . ?
C14 C15 C16 C17 -1.4(4) . . . . ?
C15 C16 C17 C18 2.5(4) . . . . ?
C16 C17 C18 C13 -1.6(4) . . . . ?
C18 C13 C14 C15 1.3(4) . . . . ?
C19 P2 C25 C20 55.6(2) . . . . ?
C19 P2 C25 C24 -121.3(2) . . . . ?
C19 P2 C26 C27 -167.3(2) . . . . ?
C19 P2 C26 C31 16.2(2) . . . . ?
C19 C1 C2 C3 -176.9(2) . . . . ?
C20 C21 C22 C23 -0.7(4) . . . . ?
C21 C20 C25 P2 -177.92(19) . . . . ?
C21 C20 C25 C24 -0.9(4) . . . . ?
C21 C22 C23 C24 0.4(4) . . . . ?
C22 C23 C24 C25 -0.3(4) . . . . ?
C23 C24 C25 P2 177.6(2) . . . . ?
C23 C24 C25 C20 0.5(4) . . . . ?
C25 P2 C19 C1 54.52(19) . . . . ?
C25 P2 C26 C27 -57.7(2) . . . . ?
C25 P2 C26 C31 125.7(2) . . . . ?
C25 C20 C21 C22 1.0(4) . . . . ?
C26 P2 C19 C1 165.60(16) . . . . ?
C26 P2 C25 C20 -53.9(2) . . . . ?
C26 P2 C25 C24 129.2(2) . . . . ?
C26 C27 C28 C29 0.7(4) . . . . ?
C27 C26 C31 C30 -0.7(4) . . . . ?
C27 C28 C29 C30 -0.8(4) . . . . ?
C28 C29 C30 C31 0.1(4) . . . . ?
C29 C30 C31 C26 0.6(4) . . . . ?
C31 C26 C27 C28 0.1(4) . . . . ?


_olex2_exptl_crystal_mounting_method 
'Mounted on a 150 micro/m MITIGEN holder in perfluoroether '
_olex2_submission_special_instructions 'No special instructions were received'

