# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_platon_sq
_database_code_depnum_ccdc_archive 'CCDC 2425771'
loop_
_audit_author_name
_audit_author_address
Urvashi
;IISER Bhopal
India
;
_audit_update_record             
;
2025-02-21 deposited with the CCDC.	2025-04-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C68 H90 Au2 F12 N8 P2 Sb2'
_chemical_formula_weight         1946.85

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'
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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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'

_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.
;

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                   20.424(9)
_cell_length_b                   11.606(5)
_cell_length_c                   32.783(19)
_cell_angle_alpha                90
_cell_angle_beta                 107.44(2)
_cell_angle_gamma                90
_cell_volume                     7414(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    7742
_cell_measurement_theta_min      2.19
_cell_measurement_theta_max      23.28

_exptl_crystal_description       SQUARE
_exptl_crystal_colour            WHITE
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.744
_exptl_crystal_F_000             3808
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    4.784
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            98147
_diffrn_reflns_av_unetI/netI     0.1126
_diffrn_reflns_av_R_equivalents  0.1871
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_theta_min         1.919
_diffrn_reflns_theta_max         26.408
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             15173
_reflns_number_gt                9464
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0514P)²+34.0892P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15173
_refine_ls_number_parameters     851
_refine_ls_number_restraints     51
_refine_ls_R_factor_all          0.1249
_refine_ls_R_factor_gt           0.0688
_refine_ls_wR_factor_ref         0.1582
_refine_ls_wR_factor_gt          0.1343
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Au01 Au 0.50555(2) 0.93911(4) 0.08979(2) 0.03487(12) Uani 1 1 d . . . . .
C1 C 0.4617(5) 0.4582(8) 0.3959(3) 0.026(2) Uani 1 1 d . U . . .
Au02 Au 0.54998(2) 0.39047(4) 0.42855(2) 0.04048(13) Uani 1 1 d . . . . .
Sb03 Sb 0.65026(5) 0.70945(8) 0.35089(3) 0.0626(3) Uani 1 1 d . . . . .
Sb04 Sb 0.36712(5) 1.29179(9) 0.11680(3) 0.0639(3) Uani 1 1 d . . . . .
P005 P 0.54033(14) 0.2129(2) 0.39443(9) 0.0344(6) Uani 1 1 d . . . . .
P006 P 0.53778(14) 0.7980(2) 0.14234(9) 0.0312(6) Uani 1 1 d . . . . .
N009 N 0.5985(5) 1.0286(7) 0.1274(3) 0.042(2) Uani 1 1 d . . . . .
N00F N 0.6486(5) 0.3274(8) 0.4701(3) 0.045(2) Uani 1 1 d . . . . .
C00J C 0.6366(5) 0.9711(9) 0.1672(3) 0.036(3) Uani 1 1 d . . . . .
F00O F 0.6696(6) 0.6660(10) 0.3016(4) 0.131(4) Uani 1 1 d . U . . .
F00Q F 0.6755(6) 0.5643(8) 0.3713(3) 0.131(4) Uani 1 1 d . U . . .
C00R C 0.4126(5) 0.7007(11) 0.1425(4) 0.046(3) Uani 1 1 d . . . . .
H00A H 0.3948 0.7358 0.1145 0.056 Uiso 1 1 calc R U . . .
H00B H 0.4286 0.6238 0.1389 0.056 Uiso 1 1 calc R U . . .
N00S N 0.3918(7) 1.1155(11) -0.0085(4) 0.081(4) Uani 1 1 d . . . . .
C00T C 0.6328(6) 0.0289(10) 0.4236(4) 0.047(3) Uani 1 1 d . . . . .
H00T H 0.6046 -0.0137 0.4012 0.057 Uiso 1 1 calc R U . . .
C00U C 0.7197(6) 0.1515(12) 0.4899(4) 0.055(3) Uani 1 1 d . . . . .
H00U H 0.7496 0.1937 0.5118 0.066 Uiso 1 1 calc R U . . .
C00V C 0.5528(6) 0.2250(10) 0.3408(3) 0.041(3) Uani 1 1 d . . . . .
F00W F 0.6285(7) 0.8557(9) 0.3289(4) 0.160(5) Uani 1 1 d . . . . .
C00X C 0.7331(6) 0.0396(13) 0.4846(4) 0.060(4) Uani 1 1 d . . . . .
H00X H 0.7709 0.0044 0.5036 0.072 Uiso 1 1 calc R U . . .
C00Y C 0.5743(5) 0.6694(9) 0.1224(4) 0.037(3) Uani 1 1 d . . . . .
C00Z C 0.5196(7) 0.6127(11) 0.0846(4) 0.068(4) Uani 1 1 d . . . . .
H00C H 0.5000 0.6703 0.0629 0.082 Uiso 1 1 calc R U . . .
H00D H 0.4829 0.5818 0.0945 0.082 Uiso 1 1 calc R U . . .
C010 C 0.3526(6) 0.9132(10) 0.0609(4) 0.049(3) Uani 1 1 d . . . . .
H010 H 0.3554 0.9615 0.0840 0.059 Uiso 1 1 calc R U . . .
C011 C 0.4025(7) 0.4516(12) 0.4112(4) 0.062(4) Uani 1 1 d . . . . .
H01A H 0.4042 0.4043 0.4344 0.075 Uiso 1 1 calc R U . . .
C012 C 0.4977(8) 0.3006(13) 0.3110(4) 0.073(5) Uani 1 1 d . . . . .
H01C H 0.4963 0.3747 0.3244 0.088 Uiso 1 1 calc R U . . .
H01D H 0.4531 0.2643 0.3058 0.088 Uiso 1 1 calc R U . . .
C013 C 0.6616(6) 0.2047(11) 0.4631(4) 0.048(3) Uani 1 1 d . . . . .
C014 C 0.3893(7) 0.8843(13) 0.2004(5) 0.071(4) Uani 1 1 d . . . . .
H014 H 0.3734 0.9613 0.2053 0.085 Uiso 1 1 calc R U . . .
C015 C 0.6426(7) 1.0478(12) 0.0985(4) 0.066(4) Uani 1 1 d . . . . .
H01E H 0.6148 1.0776 0.0716 0.099 Uiso 1 1 calc R U . . .
H01F H 0.6628 0.9761 0.0940 0.099 Uiso 1 1 calc R U . . .
H01G H 0.6782 1.1021 0.1116 0.099 Uiso 1 1 calc R U . . .
C016 C 0.3425(7) 0.5144(14) 0.3921(5) 0.074(5) Uani 1 1 d . . . . .
H016 H 0.3047 0.5062 0.4021 0.089 Uiso 1 1 calc R U . . .
C017 C 0.6503(5) 0.8179(10) 0.2185(3) 0.045(3) Uani 1 1 d . . . . .
H017 H 0.6357 0.7487 0.2272 0.054 Uiso 1 1 calc R U . . .
C018 C 0.3421(8) 0.7741(11) -0.0089(4) 0.065(4) Uani 1 1 d . . . . .
H018 H 0.3373 0.7277 -0.0328 0.078 Uiso 1 1 calc R U . . .
C019 C 0.4596(7) 0.1448(12) 0.4437(4) 0.058(3) Uani 1 1 d . . . . .
H01H H 0.5008 0.1155 0.4643 0.069 Uiso 1 1 calc R U . . .
H01I H 0.4557 0.2262 0.4492 0.069 Uiso 1 1 calc R U . . .
C01A C 0.4549(8) 0.5389(12) 0.3628(4) 0.069(4) Uani 1 1 d . . . . .
H01J H 0.4923 0.5522 0.3529 0.082 Uiso 1 1 calc R U . . .
C01B C 0.4993(6) 0.7114(12) 0.2145(4) 0.057(3) Uani 1 1 d . . . . .
H01K H 0.5376 0.7536 0.2333 0.069 Uiso 1 1 calc R U . . .
H01L H 0.5154 0.6351 0.2101 0.069 Uiso 1 1 calc R U . . .
N1B N 0.4913(6) 1.0731(8) 0.0465(3) 0.054(3) Uani 1 1 d . . . . .
C01C C 0.2849(7) 0.8109(12) 0.0013(5) 0.069(4) Uani 1 1 d . . . . .
H01M H 0.2416 0.7878 -0.0154 0.083 Uiso 1 1 calc R U . . .
C01D C 0.5519(7) 0.5149(11) 0.0650(5) 0.072(4) Uani 1 1 d . . . . .
H01N H 0.5169 0.4800 0.0409 0.086 Uiso 1 1 calc R U . . .
N1D N 0.4400(7) 1.0911(8) 0.0185(4) 0.056(3) Uani 1 1 d . . . . .
N1C N 0.5745(6) 0.5390(8) 0.4638(3) 0.064(3) Uani 1 1 d . . . . .
C01E C 0.5737(7) 1.1441(9) 0.1376(4) 0.061(4) Uani 1 1 d . . . . .
H01O H 0.5500 1.1830 0.1115 0.092 Uiso 1 1 calc R U . . .
H01P H 0.6122 1.1896 0.1534 0.092 Uiso 1 1 calc R U . . .
H01Q H 0.5430 1.1333 0.1545 0.092 Uiso 1 1 calc R U . . .
C1E C 0.4132(6) 0.8747(8) 0.0529(3) 0.038(3) Uani 1 1 d . . . . .
C01F C 0.6452(7) 0.3415(11) 0.5147(4) 0.066(4) Uani 1 1 d . . . . .
H01R H 0.6359 0.4206 0.5194 0.099 Uiso 1 1 calc R U . . .
H01S H 0.6883 0.3192 0.5345 0.099 Uiso 1 1 calc R U . . .
H01T H 0.6093 0.2937 0.5187 0.099 Uiso 1 1 calc R U . . .
C01G C 0.7318(6) 0.9708(13) 0.2326(4) 0.065(4) Uani 1 1 d . . . . .
H01U H 0.7715 1.0048 0.2501 0.078 Uiso 1 1 calc R U . . .
C1G C 0.4644(5) 0.1279(9) 0.3980(4) 0.039(3) Uani 1 1 d . . . . .
F1H F 0.4438(7) 1.3690(12) 0.1492(4) 0.187(6) Uani 1 1 d . . . . .
C1H C 0.4474(6) 0.8942(9) 0.1793(4) 0.047(3) Uani 1 1 d . . . . .
H1HA H 0.4306 0.9354 0.1525 0.057 Uiso 1 1 calc R U . . .
H1HB H 0.4852 0.9378 0.1979 0.057 Uiso 1 1 calc R U . . .
C01I C 0.5554(8) 0.1097(11) 0.3187(4) 0.072(4) Uani 1 1 d . . . . .
H01V H 0.5118 0.0702 0.3136 0.086 Uiso 1 1 calc R U . . .
H01W H 0.5909 0.0614 0.3371 0.086 Uiso 1 1 calc R U . . .
N1I N 0.5388(7) 0.6218(11) 0.4587(4) 0.080(4) Uani 1 1 d . . . . .
C01J C 0.7084(6) 0.8708(13) 0.2440(4) 0.060(4) Uani 1 1 d . . . . .
H01X H 0.7324 0.8366 0.2698 0.073 Uiso 1 1 calc R U . . .
C01K C 0.3556(6) 0.6942(12) 0.1645(4) 0.061(4) Uani 1 1 d . . . . .
H01Y H 0.3171 0.6498 0.1462 0.073 Uiso 1 1 calc R U . . .
C1K C 0.4729(5) 0.7745(9) 0.1711(3) 0.036(2) Uani 1 1 d . . . . .
F1K F 0.2969(8) 1.2120(14) 0.0843(5) 0.215(7) Uani 1 1 d . U . . .
C01L C 0.3994(6) 0.1735(12) 0.3654(4) 0.059(3) Uani 1 1 d . . . . .
H01Z H 0.4020 0.1601 0.3367 0.070 Uiso 1 1 calc R U . . .
H011 H 0.3958 0.2559 0.3692 0.070 Uiso 1 1 calc R U . . .
C1L C 0.6130(5) 0.8675(9) 0.1796(3) 0.034(2) Uani 1 1 d . . . . .
C01M C 0.4174(8) 0.8208(15) 0.2430(4) 0.077(5) Uani 1 1 d . . . . .
H012 H 0.4558 0.8634 0.2615 0.093 Uiso 1 1 calc R U . . .
H013 H 0.3820 0.8155 0.2571 0.093 Uiso 1 1 calc R U . . .
C1M C 0.6171(5) 0.1437(9) 0.4298(3) 0.034(2) Uani 1 1 d . . . . .
C01N C 0.6920(6) -0.0216(11) 0.4518(4) 0.054(3) Uani 1 1 d . . . . .
H015 H 0.7028 -0.0978 0.4478 0.065 Uiso 1 1 calc R U . . .
C1N C 0.4079(7) 0.8067(10) 0.0168(4) 0.053(3) Uani 1 1 d . . . . .
H1N H 0.4469 0.7836 0.0099 0.064 Uiso 1 1 calc R U . . .
C01O C 0.4681(7) -0.0018(11) 0.3900(4) 0.063(4) Uani 1 1 d . . . . .
H019 H 0.5093 -0.0334 0.4099 0.076 Uiso 1 1 calc R U . . .
H020 H 0.4707 -0.0142 0.3613 0.076 Uiso 1 1 calc R U . . .
F1O F 0.3985(12) 1.297(2) 0.0730(6) 0.305(12) Uani 1 1 d . . . . .
F01P F 0.5635(6) 0.6573(15) 0.3260(5) 0.189(6) Uani 1 1 d . . . . .
C1P C 0.6956(6) 1.0220(11) 0.1942(4) 0.054(3) Uani 1 1 d . . . . .
H1P H 0.7109 1.0917 0.1864 0.065 Uiso 1 1 calc R U . . .
F1P F 0.3373(12) 1.303(3) 0.1588(7) 0.401(18) Uani 1 1 d . . . . .
C01Q C 0.4048(8) -0.0648(12) 0.3954(5) 0.076(5) Uani 1 1 d . . . . .
H021 H 0.4084 -0.1474 0.3901 0.091 Uiso 1 1 calc R U . . .
C01R C 0.5707(11) 0.1299(12) 0.2756(4) 0.088(6) Uani 1 1 d . . . . .
H022 H 0.5729 0.0554 0.2620 0.105 Uiso 1 1 calc R U . . .
C01S C 0.6603(9) 0.6157(12) 0.0853(7) 0.086(6) Uani 1 1 d . . . . .
H023 H 0.6971 0.6462 0.0748 0.103 Uiso 1 1 calc R U . . .
C01T C 0.6043(8) 0.5788(11) 0.1562(4) 0.075(4) Uani 1 1 d . . . . .
H024 H 0.5688 0.5493 0.1675 0.091 Uiso 1 1 calc R U . . .
H025 H 0.6401 0.6127 0.1796 0.091 Uiso 1 1 calc R U . . .
C01U C 0.5126(8) 0.2006(15) 0.2468(4) 0.081(5) Uani 1 1 d . . . . .
H026 H 0.4690 0.1628 0.2437 0.098 Uiso 1 1 calc R U . . .
H027 H 0.5186 0.2084 0.2187 0.098 Uiso 1 1 calc R U . . .
C01V C 0.5134(8) 0.3190(14) 0.2671(4) 0.080(5) Uani 1 1 d . . . . .
H028 H 0.4776 0.3675 0.2483 0.096 Uiso 1 1 calc R U . . .
C01W C 0.4008(9) -0.0465(13) 0.4415(5) 0.085(5) Uani 1 1 d . . . . .
H029 H 0.3603 -0.0839 0.4449 0.102 Uiso 1 1 calc R U . . .
H02A H 0.4410 -0.0789 0.4621 0.102 Uiso 1 1 calc R U . . .
C01X C 0.5798(8) 0.4255(10) 0.0993(6) 0.077(5) Uani 1 1 d . . . . .
H02B H 0.5994 0.3619 0.0877 0.092 Uiso 1 1 calc R U . . .
H02C H 0.5430 0.3956 0.1093 0.092 Uiso 1 1 calc R U . . .
C01Y C 0.5827(10) 0.3759(15) 0.2744(5) 0.094(5) Uani 1 1 d . U . . .
H02D H 0.5926 0.3846 0.2474 0.113 Uiso 1 1 calc R U . . .
H02E H 0.5825 0.4519 0.2867 0.113 Uiso 1 1 calc R U . . .
F1Z F 0.4100(8) 1.1583(12) 0.1344(5) 0.186(6) Uani 1 1 d . U . . .
C020 C 0.6088(9) 0.5634(12) 0.0498(5) 0.077(5) Uani 1 1 d . . . . .
H02F H 0.6295 0.5023 0.0376 0.093 Uiso 1 1 calc R U . . .
H02G H 0.5904 0.6206 0.0277 0.093 Uiso 1 1 calc R U . . .
C021 C 0.3974(8) 0.0811(14) 0.4482(5) 0.075(5) Uani 1 1 d . . . . .
H02H H 0.3948 0.0939 0.4772 0.090 Uiso 1 1 calc R U . . .
C022 C 0.3304(6) 0.8162(13) 0.1698(5) 0.072(4) Uani 1 1 d . . . . .
H02I H 0.2918 0.8123 0.1812 0.086 Uiso 1 1 calc R U . . .
H02J H 0.3154 0.8545 0.1422 0.086 Uiso 1 1 calc R U . . .
C023 C 0.3814(7) 0.6350(13) 0.2065(5) 0.071(4) Uani 1 1 d . . . . .
H02K H 0.3963 0.5577 0.2024 0.086 Uiso 1 1 calc R U . . .
H02L H 0.3448 0.6292 0.2196 0.086 Uiso 1 1 calc R U . . .
C024 C 0.6370(9) 0.3017(16) 0.3044(5) 0.089(5) Uani 1 1 d . U . . .
H02M H 0.6817 0.3396 0.3097 0.107 Uiso 1 1 calc R U . . .
C025 C 0.4406(7) 0.7016(14) 0.2354(4) 0.070(4) Uani 1 1 d . . . . .
H02N H 0.4577 0.6612 0.2628 0.084 Uiso 1 1 calc R U . . .
C026 C 0.7041(6) 0.3990(11) 0.4623(4) 0.067(4) Uani 1 1 d . . . . .
H02O H 0.7059 0.3859 0.4338 0.101 Uiso 1 1 calc R U . . .
H02P H 0.7472 0.3783 0.4824 0.101 Uiso 1 1 calc R U . . .
H02Q H 0.6948 0.4789 0.4658 0.101 Uiso 1 1 calc R U . . .
C027 C 0.2911(7) 0.8804(12) 0.0354(5) 0.066(4) Uani 1 1 d . . . . .
H02R H 0.2517 0.9060 0.0412 0.079 Uiso 1 1 calc R U . . .
C028 C 0.3322(7) 0.1353(13) 0.4161(5) 0.078(5) Uani 1 1 d . . . . .
H02S H 0.2911 0.1005 0.4198 0.094 Uiso 1 1 calc R U . . .
H02T H 0.3308 0.2174 0.4212 0.094 Uiso 1 1 calc R U . . .
C029 C 0.6342(10) 0.4799(13) 0.1361(6) 0.089(5) Uani 1 1 d . . . . .
H02U H 0.6535 0.4213 0.1579 0.107 Uiso 1 1 calc R U . . .
N02A N 0.5086(9) 0.7034(13) 0.4567(6) 0.131(7) Uani 1 1 d . . . . .
F02B F 0.6261(10) 0.7478(12) 0.3991(4) 0.213(8) Uani 1 1 d . . . . .
C02C C 0.6309(7) 0.7145(10) 0.1050(5) 0.071(5) Uani 1 1 d . . . . .
H02V H 0.6123 0.7731 0.0835 0.085 Uiso 1 1 calc R U . . .
H02W H 0.6670 0.7493 0.1280 0.085 Uiso 1 1 calc R U . . .
C02D C 0.3947(10) 0.5997(14) 0.3445(5) 0.091(6) Uani 1 1 d . . . . .
H02X H 0.3919 0.6496 0.3218 0.109 Uiso 1 1 calc R U . . .
F02E F 0.7390(7) 0.7570(11) 0.3732(5) 0.179(5) Uani 1 1 d . U . . .
C02F C 0.6389(9) 0.1914(17) 0.2836(5) 0.099(5) Uani 1 1 d . U . . .
H02Y H 0.6754 0.1441 0.3016 0.118 Uiso 1 1 calc R U . . .
H02Z H 0.6484 0.2039 0.2566 0.118 Uiso 1 1 calc R U . . .
C02G C 0.6909(8) 0.5286(16) 0.1201(6) 0.101(6) Uani 1 1 d . . . . .
H030 H 0.7255 0.5652 0.1434 0.121 Uiso 1 1 calc R U . . .
H031 H 0.7127 0.4670 0.1089 0.121 Uiso 1 1 calc R U . . .
C02H C 0.3394(9) 0.5866(15) 0.3595(5) 0.092(6) Uani 1 1 d . . . . .
H032 H 0.2994 0.6279 0.3470 0.110 Uiso 1 1 calc R U . . .
C02I C 0.6228(8) 0.2835(15) 0.3472(4) 0.082(5) Uani 1 1 d . . . . .
H033 H 0.6233 0.3574 0.3612 0.098 Uiso 1 1 calc R U . . .
H034 H 0.6587 0.2361 0.3656 0.098 Uiso 1 1 calc R U . . .
C02J C 0.3358(7) 0.1130(14) 0.3709(5) 0.074(4) Uani 1 1 d . . . . .
H035 H 0.2945 0.1442 0.3501 0.088 Uiso 1 1 calc R U . . .
C02L C 0.3402(8) -0.0167(14) 0.3634(5) 0.086(5) Uani 1 1 d . . . . .
H036 H 0.3000 -0.0550 0.3669 0.103 Uiso 1 1 calc R U . . .
H037 H 0.3416 -0.0305 0.3345 0.103 Uiso 1 1 calc R U . . .
F2N F 0.3288(9) 1.4271(14) 0.0942(6) 0.224(7) 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
Au01 C1E 2.051(10) . ?
Au01 N1B 2.067(10) . ?
Au01 N009 2.191(9) . ?
Au01 P006 2.325(3) . ?
C1 C01A 1.407(15) . ?
C1 C011 1.444(15) . ?
C1 Au02 1.965(10) . ?
Au02 N1C 2.052(9) . ?
Au02 N00F 2.191(9) . ?
Au02 P005 2.325(3) . ?
Sb03 F01P 1.819(12) . ?
Sb03 F02E 1.825(13) . ?
Sb03 F00Q 1.829(10) . ?
Sb03 F00W 1.845(10) . ?
Sb03 F02B 1.845(11) . ?
Sb03 F00O 1.845(10) . ?
Sb04 F1P 1.669(14) . ?
Sb04 F1O 1.740(15) . ?
Sb04 F1K 1.770(15) . ?
Sb04 F1Z 1.788(13) . ?
Sb04 F2N 1.811(16) . ?
Sb04 F1H 1.841(11) . ?
P005 C1M 1.831(11) . ?
P005 C00V 1.856(10) . ?
P005 C1G 1.870(11) . ?
P006 C1L 1.838(11) . ?
P006 C1K 1.863(10) . ?
P006 C00Y 1.872(11) . ?
N009 C00J 1.464(13) . ?
N009 C015 1.505(13) . ?
N009 C01E 1.506(14) . ?
N00F C013 1.479(15) . ?
N00F C026 1.487(14) . ?
N00F C01F 1.494(14) . ?
C00J C1P 1.395(15) . ?
C00J C1L 1.401(14) . ?
C00R C01K 1.543(14) . ?
C00R C1K 1.562(15) . ?
C00R H00A 0.9700 . ?
C00R H00B 0.9700 . ?
N00S N1D 1.143(15) . ?
C00T C1M 1.399(15) . ?
C00T C01N 1.410(16) . ?
C00T H00T 0.9300 . ?
C00U C00X 1.350(17) . ?
C00U C013 1.390(16) . ?
C00U H00U 0.9300 . ?
C00V C012 1.528(16) . ?
C00V C01I 1.529(15) . ?
C00V C02I 1.539(17) . ?
C00X C01N 1.349(17) . ?
C00X H00X 0.9300 . ?
C00Y C01T 1.517(16) . ?
C00Y C02C 1.525(14) . ?
C00Y C00Z 1.546(16) . ?
C00Z C01D 1.547(16) . ?
C00Z H00C 0.9700 . ?
C00Z H00D 0.9700 . ?
C010 C027 1.339(17) . ?
C010 C1E 1.414(15) . ?
C010 H010 0.9300 . ?
C011 C016 1.401(17) . ?
C011 H01A 0.9300 . ?
C012 C01V 1.580(16) . ?
C012 H01C 0.9700 . ?
C012 H01D 0.9700 . ?
C013 C1M 1.388(14) . ?
C014 C01M 1.531(19) . ?
C014 C022 1.536(19) . ?
C014 C1H 1.545(16) . ?
C014 H014 0.9800 . ?
C015 H01E 0.9600 . ?
C015 H01F 0.9600 . ?
C015 H01G 0.9600 . ?
C016 C02H 1.35(2) . ?
C016 H016 0.9300 . ?
C017 C01J 1.374(15) . ?
C017 C1L 1.398(14) . ?
C017 H017 0.9300 . ?
C018 C01C 1.376(18) . ?
C018 C1N 1.407(17) . ?
C018 H018 0.9300 . ?
C019 C021 1.515(17) . ?
C019 C1G 1.542(15) . ?
C019 H01H 0.9700 . ?
C019 H01I 0.9700 . ?
C01A C02D 1.388(19) . ?
C01A H01J 0.9300 . ?
C01B C1K 1.544(15) . ?
C01B C025 1.555(15) . ?
C01B H01K 0.9700 . ?
C01B H01L 0.9700 . ?
N1B N1D 1.186(14) . ?
C01C C027 1.353(18) . ?
C01C H01M 0.9300 . ?
C01D C020 1.505(19) . ?
C01D C01X 1.51(2) . ?
C01D H01N 0.9800 . ?
N1C N1I 1.187(15) . ?
C01E H01O 0.9600 . ?
C01E H01P 0.9600 . ?
C01E H01Q 0.9600 . ?
C1E C1N 1.401(15) . ?
C01F H01R 0.9600 . ?
C01F H01S 0.9600 . ?
C01F H01T 0.9600 . ?
C01G C01J 1.350(18) . ?
C01G C1P 1.387(17) . ?
C01G H01U 0.9300 . ?
C1G C01L 1.529(15) . ?
C1G C01O 1.534(16) . ?
C1H C1K 1.536(14) . ?
C1H H1HA 0.9700 . ?
C1H H1HB 0.9700 . ?
C01I C01R 1.556(18) . ?
C01I H01V 0.9700 . ?
C01I H01W 0.9700 . ?
N1I N02A 1.121(17) . ?
C01J H01X 0.9300 . ?
C01K C023 1.488(17) . ?
C01K C022 1.534(18) . ?
C01K H01Y 0.9800 . ?
C01L C02J 1.534(17) . ?
C01L H01Z 0.9700 . ?
C01L H011 0.9700 . ?
C01M C025 1.51(2) . ?
C01M H012 0.9700 . ?
C01M H013 0.9700 . ?
C01N H015 0.9300 . ?
C1N H1N 0.9300 . ?
C01O C01Q 1.541(17) . ?
C01O H019 0.9700 . ?
C01O H020 0.9700 . ?
C1P H1P 0.9300 . ?
C01Q C02L 1.52(2) . ?
C01Q C01W 1.55(2) . ?
C01Q H021 0.9800 . ?
C01R C01U 1.52(2) . ?
C01R C02F 1.52(2) . ?
C01R H022 0.9800 . ?
C01S C020 1.45(2) . ?
C01S C02G 1.51(2) . ?
C01S C02C 1.525(16) . ?
C01S H023 0.9800 . ?
C01T C029 1.538(18) . ?
C01T H024 0.9700 . ?
C01T H025 0.9700 . ?
C01U C01V 1.52(2) . ?
C01U H026 0.9700 . ?
C01U H027 0.9700 . ?
C01V C01Y 1.52(2) . ?
C01V H028 0.9800 . ?
C01W C021 1.50(2) . ?
C01W H029 0.9700 . ?
C01W H02A 0.9700 . ?
C01X C029 1.51(2) . ?
C01X H02B 0.9700 . ?
C01X H02C 0.9700 . ?
C01Y C024 1.51(2) . ?
C01Y H02D 0.9700 . ?
C01Y H02E 0.9700 . ?
C020 H02F 0.9700 . ?
C020 H02G 0.9700 . ?
C021 C028 1.560(19) . ?
C021 H02H 0.9800 . ?
C022 H02I 0.9700 . ?
C022 H02J 0.9700 . ?
C023 C025 1.506(19) . ?
C023 H02K 0.9700 . ?
C023 H02L 0.9700 . ?
C024 C02F 1.46(2) . ?
C024 C02I 1.530(17) . ?
C024 H02M 0.9800 . ?
C025 H02N 0.9800 . ?
C026 H02O 0.9600 . ?
C026 H02P 0.9600 . ?
C026 H02Q 0.9600 . ?
C027 H02R 0.9300 . ?
C028 C02J 1.53(2) . ?
C028 H02S 0.9700 . ?
C028 H02T 0.9700 . ?
C029 C02G 1.52(2) . ?
C029 H02U 0.9800 . ?
C02C H02V 0.9700 . ?
C02C H02W 0.9700 . ?
C02D C02H 1.37(2) . ?
C02D H02X 0.9300 . ?
C02F H02Y 0.9700 . ?
C02F H02Z 0.9700 . ?
C02G H030 0.9700 . ?
C02G H031 0.9700 . ?
C02H H032 0.9300 . ?
C02I H033 0.9700 . ?
C02I H034 0.9700 . ?
C02J C02L 1.53(2) . ?
C02J H035 0.9800 . ?
C02L H036 0.9700 . ?
C02L H037 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
C1E Au01 N1B 87.3(4) . . ?
C1E Au01 N009 173.1(4) . . ?
N1B Au01 N009 87.1(4) . . ?
C1E Au01 P006 100.7(3) . . ?
N1B Au01 P006 171.7(3) . . ?
N009 Au01 P006 84.9(2) . . ?
C01A C1 C011 113.8(11) . . ?
C01A C1 Au02 123.3(8) . . ?
C011 C1 Au02 121.1(8) . . ?
C1 Au02 N1C 90.0(4) . . ?
C1 Au02 N00F 174.3(4) . . ?
N1C Au02 N00F 84.7(4) . . ?
C1 Au02 P005 99.2(3) . . ?
N1C Au02 P005 170.7(3) . . ?
N00F Au02 P005 86.1(3) . . ?
F01P Sb03 F02E 176.3(7) . . ?
F01P Sb03 F00Q 89.3(7) . . ?
F02E Sb03 F00Q 89.7(6) . . ?
F01P Sb03 F00W 92.5(7) . . ?
F02E Sb03 F00W 88.4(6) . . ?
F00Q Sb03 F00W 176.9(6) . . ?
F01P Sb03 F02B 89.4(7) . . ?
F02E Sb03 F02B 94.1(8) . . ?
F00Q Sb03 F02B 91.6(6) . . ?
F00W Sb03 F02B 91.0(6) . . ?
F01P Sb03 F00O 87.2(6) . . ?
F02E Sb03 F00O 89.2(6) . . ?
F00Q Sb03 F00O 87.6(5) . . ?
F00W Sb03 F00O 90.0(5) . . ?
F02B Sb03 F00O 176.5(7) . . ?
F1P Sb04 F1O 173.6(14) . . ?
F1P Sb04 F1K 96.1(11) . . ?
F1O Sb04 F1K 87.4(10) . . ?
F1P Sb04 F1Z 93.6(12) . . ?
F1O Sb04 F1Z 91.9(9) . . ?
F1K Sb04 F1Z 88.3(7) . . ?
F1P Sb04 F2N 93.0(12) . . ?
F1O Sb04 F2N 81.5(10) . . ?
F1K Sb04 F2N 92.0(8) . . ?
F1Z Sb04 F2N 173.3(8) . . ?
F1P Sb04 F1H 86.8(11) . . ?
F1O Sb04 F1H 90.0(10) . . ?
F1K Sb04 F1H 176.3(8) . . ?
F1Z Sb04 F1H 89.2(6) . . ?
F2N Sb04 F1H 90.1(7) . . ?
C1M P005 C00V 107.3(5) . . ?
C1M P005 C1G 107.3(5) . . ?
C00V P005 C1G 116.8(5) . . ?
C1M P005 Au02 98.7(3) . . ?
C00V P005 Au02 111.9(4) . . ?
C1G P005 Au02 112.9(3) . . ?
C1L P006 C1K 107.8(5) . . ?
C1L P006 C00Y 104.0(5) . . ?
C1K P006 C00Y 118.6(5) . . ?
C1L P006 Au01 100.2(3) . . ?
C1K P006 Au01 113.1(4) . . ?
C00Y P006 Au01 110.9(3) . . ?
C00J N009 C015 111.7(9) . . ?
C00J N009 C01E 109.4(8) . . ?
C015 N009 C01E 108.2(9) . . ?
C00J N009 Au01 115.1(6) . . ?
C015 N009 Au01 107.3(7) . . ?
C01E N009 Au01 104.7(7) . . ?
C013 N00F C026 109.2(9) . . ?
C013 N00F C01F 108.7(9) . . ?
C026 N00F C01F 111.5(10) . . ?
C013 N00F Au02 113.6(7) . . ?
C026 N00F Au02 108.2(8) . . ?
C01F N00F Au02 105.6(7) . . ?
C1P C00J C1L 119.1(11) . . ?
C1P C00J N009 120.0(10) . . ?
C1L C00J N009 120.9(10) . . ?
C01K C00R C1K 108.3(9) . . ?
C01K C00R H00A 110.0 . . ?
C1K C00R H00A 110.0 . . ?
C01K C00R H00B 110.0 . . ?
C1K C00R H00B 110.0 . . ?
H00A C00R H00B 108.4 . . ?
C1M C00T C01N 119.4(11) . . ?
C1M C00T H00T 120.3 . . ?
C01N C00T H00T 120.3 . . ?
C00X C00U C013 120.8(12) . . ?
C00X C00U H00U 119.6 . . ?
C013 C00U H00U 119.6 . . ?
C012 C00V C01I 108.9(11) . . ?
C012 C00V C02I 108.0(11) . . ?
C01I C00V C02I 106.8(11) . . ?
C012 C00V P005 111.4(7) . . ?
C01I C00V P005 114.6(8) . . ?
C02I C00V P005 106.9(8) . . ?
C01N C00X C00U 120.5(12) . . ?
C01N C00X H00X 119.7 . . ?
C00U C00X H00X 119.7 . . ?
C01T C00Y C02C 109.0(11) . . ?
C01T C00Y C00Z 109.1(10) . . ?
C02C C00Y C00Z 107.1(11) . . ?
C01T C00Y P006 114.4(8) . . ?
C02C C00Y P006 106.4(7) . . ?
C00Z C00Y P006 110.5(7) . . ?
C00Y C00Z C01D 110.4(11) . . ?
C00Y C00Z H00C 109.6 . . ?
C01D C00Z H00C 109.6 . . ?
C00Y C00Z H00D 109.6 . . ?
C01D C00Z H00D 109.6 . . ?
H00C C00Z H00D 108.1 . . ?
C027 C010 C1E 120.2(12) . . ?
C027 C010 H010 119.9 . . ?
C1E C010 H010 119.9 . . ?
C016 C011 C1 121.9(13) . . ?
C016 C011 H01A 119.1 . . ?
C1 C011 H01A 119.1 . . ?
C00V C012 C01V 110.3(10) . . ?
C00V C012 H01C 109.6 . . ?
C01V C012 H01C 109.6 . . ?
C00V C012 H01D 109.6 . . ?
C01V C012 H01D 109.6 . . ?
H01C C012 H01D 108.1 . . ?
C1M C013 C00U 120.3(12) . . ?
C1M C013 N00F 120.4(10) . . ?
C00U C013 N00F 119.3(11) . . ?
C01M C014 C022 110.8(13) . . ?
C01M C014 C1H 108.4(11) . . ?
C022 C014 C1H 107.6(10) . . ?
C01M C014 H014 110.0 . . ?
C022 C014 H014 110.0 . . ?
C1H C014 H014 110.0 . . ?
N009 C015 H01E 109.5 . . ?
N009 C015 H01F 109.5 . . ?
H01E C015 H01F 109.5 . . ?
N009 C015 H01G 109.5 . . ?
H01E C015 H01G 109.5 . . ?
H01F C015 H01G 109.5 . . ?
C02H C016 C011 120.4(14) . . ?
C02H C016 H016 119.8 . . ?
C011 C016 H016 119.8 . . ?
C01J C017 C1L 120.4(11) . . ?
C01J C017 H017 119.8 . . ?
C1L C017 H017 119.8 . . ?
C01C C018 C1N 119.9(12) . . ?
C01C C018 H018 120.1 . . ?
C1N C018 H018 120.1 . . ?
C021 C019 C1G 109.5(11) . . ?
C021 C019 H01H 109.8 . . ?
C1G C019 H01H 109.8 . . ?
C021 C019 H01I 109.8 . . ?
C1G C019 H01I 109.8 . . ?
H01H C019 H01I 108.2 . . ?
C02D C01A C1 122.9(14) . . ?
C02D C01A H01J 118.6 . . ?
C1 C01A H01J 118.6 . . ?
C1K C01B C025 109.7(10) . . ?
C1K C01B H01K 109.7 . . ?
C025 C01B H01K 109.7 . . ?
C1K C01B H01L 109.7 . . ?
C025 C01B H01L 109.7 . . ?
H01K C01B H01L 108.2 . . ?
N1D N1B Au01 125.1(9) . . ?
C027 C01C C018 120.7(13) . . ?
C027 C01C H01M 119.6 . . ?
C018 C01C H01M 119.6 . . ?
C020 C01D C01X 110.3(12) . . ?
C020 C01D C00Z 109.3(11) . . ?
C01X C01D C00Z 107.9(12) . . ?
C020 C01D H01N 109.7 . . ?
C01X C01D H01N 109.7 . . ?
C00Z C01D H01N 109.7 . . ?
N00S N1D N1B 175.7(14) . . ?
N1I N1C Au02 124.5(10) . . ?
N009 C01E H01O 109.5 . . ?
N009 C01E H01P 109.5 . . ?
H01O C01E H01P 109.5 . . ?
N009 C01E H01Q 109.5 . . ?
H01O C01E H01Q 109.5 . . ?
H01P C01E H01Q 109.5 . . ?
C1N C1E C010 119.0(10) . . ?
C1N C1E Au01 121.9(9) . . ?
C010 C1E Au01 118.5(8) . . ?
N00F C01F H01R 109.5 . . ?
N00F C01F H01S 109.5 . . ?
H01R C01F H01S 109.5 . . ?
N00F C01F H01T 109.5 . . ?
H01R C01F H01T 109.5 . . ?
H01S C01F H01T 109.5 . . ?
C01J C01G C1P 118.9(12) . . ?
C01J C01G H01U 120.6 . . ?
C1P C01G H01U 120.6 . . ?
C01L C1G C01O 107.2(10) . . ?
C01L C1G C019 109.9(10) . . ?
C01O C1G C019 108.2(10) . . ?
C01L C1G P005 109.6(8) . . ?
C01O C1G P005 115.0(8) . . ?
C019 C1G P005 106.8(8) . . ?
C1K C1H C014 110.9(9) . . ?
C1K C1H H1HA 109.5 . . ?
C014 C1H H1HA 109.5 . . ?
C1K C1H H1HB 109.5 . . ?
C014 C1H H1HB 109.5 . . ?
H1HA C1H H1HB 108.0 . . ?
C00V C01I C01R 110.1(11) . . ?
C00V C01I H01V 109.6 . . ?
C01R C01I H01V 109.6 . . ?
C00V C01I H01W 109.6 . . ?
C01R C01I H01W 109.6 . . ?
H01V C01I H01W 108.2 . . ?
N02A N1I N1C 174.7(18) . . ?
C01G C01J C017 121.9(13) . . ?
C01G C01J H01X 119.0 . . ?
C017 C01J H01X 119.0 . . ?
C023 C01K C022 111.0(12) . . ?
C023 C01K C00R 110.4(11) . . ?
C022 C01K C00R 109.5(10) . . ?
C023 C01K H01Y 108.6 . . ?
C022 C01K H01Y 108.6 . . ?
C00R C01K H01Y 108.6 . . ?
C1H C1K C01B 108.1(9) . . ?
C1H C1K C00R 110.7(9) . . ?
C01B C1K C00R 106.8(9) . . ?
C1H C1K P006 106.7(7) . . ?
C01B C1K P006 115.4(7) . . ?
C00R C1K P006 109.1(7) . . ?
C1G C01L C02J 110.4(10) . . ?
C1G C01L H01Z 109.6 . . ?
C02J C01L H01Z 109.6 . . ?
C1G C01L H011 109.6 . . ?
C02J C01L H011 109.6 . . ?
H01Z C01L H011 108.1 . . ?
C017 C1L C00J 118.5(10) . . ?
C017 C1L P006 123.0(8) . . ?
C00J C1L P006 118.4(8) . . ?
C025 C01M C014 109.9(11) . . ?
C025 C01M H012 109.7 . . ?
C014 C01M H012 109.7 . . ?
C025 C01M H013 109.7 . . ?
C014 C01M H013 109.7 . . ?
H012 C01M H013 108.2 . . ?
C013 C1M C00T 118.2(10) . . ?
C013 C1M P005 120.6(9) . . ?
C00T C1M P005 121.1(8) . . ?
C00X C01N C00T 120.6(12) . . ?
C00X C01N H015 119.7 . . ?
C00T C01N H015 119.7 . . ?
C1E C1N C018 118.4(12) . . ?
C1E C1N H1N 120.8 . . ?
C018 C1N H1N 120.8 . . ?
C1G C01O C01Q 111.1(11) . . ?
C1G C01O H019 109.4 . . ?
C01Q C01O H019 109.4 . . ?
C1G C01O H020 109.4 . . ?
C01Q C01O H020 109.4 . . ?
H019 C01O H020 108.0 . . ?
C01G C1P C00J 121.3(12) . . ?
C01G C1P H1P 119.4 . . ?
C00J C1P H1P 119.4 . . ?
C02L C01Q C01O 109.3(11) . . ?
C02L C01Q C01W 109.4(14) . . ?
C01O C01Q C01W 109.7(12) . . ?
C02L C01Q H021 109.5 . . ?
C01O C01Q H021 109.5 . . ?
C01W C01Q H021 109.5 . . ?
C01U C01R C02F 111.1(13) . . ?
C01U C01R C01I 108.3(14) . . ?
C02F C01R C01I 109.7(13) . . ?
C01U C01R H022 109.2 . . ?
C02F C01R H022 109.2 . . ?
C01I C01R H022 109.2 . . ?
C020 C01S C02G 111.2(13) . . ?
C020 C01S C02C 111.9(14) . . ?
C02G C01S C02C 108.1(14) . . ?
C020 C01S H023 108.5 . . ?
C02G C01S H023 108.5 . . ?
C02C C01S H023 108.5 . . ?
C00Y C01T C029 109.2(11) . . ?
C00Y C01T H024 109.8 . . ?
C029 C01T H024 109.8 . . ?
C00Y C01T H025 109.8 . . ?
C029 C01T H025 109.8 . . ?
H024 C01T H025 108.3 . . ?
C01R C01U C01V 108.2(11) . . ?
C01R C01U H026 110.1 . . ?
C01V C01U H026 110.1 . . ?
C01R C01U H027 110.1 . . ?
C01V C01U H027 110.1 . . ?
H026 C01U H027 108.4 . . ?
C01Y C01V C01U 110.4(12) . . ?
C01Y C01V C012 110.5(12) . . ?
C01U C01V C012 107.3(13) . . ?
C01Y C01V H028 109.5 . . ?
C01U C01V H028 109.5 . . ?
C012 C01V H028 109.5 . . ?
C021 C01W C01Q 107.3(11) . . ?
C021 C01W H029 110.3 . . ?
C01Q C01W H029 110.3 . . ?
C021 C01W H02A 110.3 . . ?
C01Q C01W H02A 110.3 . . ?
H029 C01W H02A 108.5 . . ?
C01D C01X C029 109.3(11) . . ?
C01D C01X H02B 109.8 . . ?
C029 C01X H02B 109.8 . . ?
C01D C01X H02C 109.8 . . ?
C029 C01X H02C 109.8 . . ?
H02B C01X H02C 108.3 . . ?
C024 C01Y C01V 108.8(13) . . ?
C024 C01Y H02D 109.9 . . ?
C01V C01Y H02D 109.9 . . ?
C024 C01Y H02E 109.9 . . ?
C01V C01Y H02E 109.9 . . ?
H02D C01Y H02E 108.3 . . ?
C01S C020 C01D 109.7(12) . . ?
C01S C020 H02F 109.7 . . ?
C01D C020 H02F 109.7 . . ?
C01S C020 H02G 109.7 . . ?
C01D C020 H02G 109.7 . . ?
H02F C020 H02G 108.2 . . ?
C01W C021 C019 112.9(13) . . ?
C01W C021 C028 111.5(13) . . ?
C019 C021 C028 108.0(11) . . ?
C01W C021 H02H 108.1 . . ?
C019 C021 H02H 108.1 . . ?
C028 C021 H02H 108.1 . . ?
C01K C022 C014 109.0(11) . . ?
C01K C022 H02I 109.9 . . ?
C014 C022 H02I 109.9 . . ?
C01K C022 H02J 109.9 . . ?
C014 C022 H02J 109.9 . . ?
H02I C022 H02J 108.3 . . ?
C01K C023 C025 109.9(11) . . ?
C01K C023 H02K 109.7 . . ?
C025 C023 H02K 109.7 . . ?
C01K C023 H02L 109.7 . . ?
C025 C023 H02L 109.7 . . ?
H02K C023 H02L 108.2 . . ?
C02F C024 C01Y 108.3(15) . . ?
C02F C024 C02I 110.3(14) . . ?
C01Y C024 C02I 111.8(14) . . ?
C02F C024 H02M 108.8 . . ?
C01Y C024 H02M 108.8 . . ?
C02I C024 H02M 108.8 . . ?
C023 C025 C01M 110.1(12) . . ?
C023 C025 C01B 109.9(12) . . ?
C01M C025 C01B 109.2(11) . . ?
C023 C025 H02N 109.2 . . ?
C01M C025 H02N 109.2 . . ?
C01B C025 H02N 109.2 . . ?
N00F C026 H02O 109.5 . . ?
N00F C026 H02P 109.5 . . ?
H02O C026 H02P 109.5 . . ?
N00F C026 H02Q 109.5 . . ?
H02O C026 H02Q 109.5 . . ?
H02P C026 H02Q 109.5 . . ?
C010 C027 C01C 121.6(14) . . ?
C010 C027 H02R 119.2 . . ?
C01C C027 H02R 119.2 . . ?
C02J C028 C021 107.9(11) . . ?
C02J C028 H02S 110.1 . . ?
C021 C028 H02S 110.1 . . ?
C02J C028 H02T 110.1 . . ?
C021 C028 H02T 110.1 . . ?
H02S C028 H02T 108.4 . . ?
C01X C029 C02G 109.5(14) . . ?
C01X C029 C01T 111.2(14) . . ?
C02G C029 C01T 108.3(14) . . ?
C01X C029 H02U 109.3 . . ?
C02G C029 H02U 109.3 . . ?
C01T C029 H02U 109.3 . . ?
C01S C02C C00Y 109.8(10) . . ?
C01S C02C H02V 109.7 . . ?
C00Y C02C H02V 109.7 . . ?
C01S C02C H02W 109.7 . . ?
C00Y C02C H02W 109.7 . . ?
H02V C02C H02W 108.2 . . ?
C02H C02D C01A 120.4(15) . . ?
C02H C02D H02X 119.8 . . ?
C01A C02D H02X 119.8 . . ?
C024 C02F C01R 110.0(13) . . ?
C024 C02F H02Y 109.7 . . ?
C01R C02F H02Y 109.7 . . ?
C024 C02F H02Z 109.7 . . ?
C01R C02F H02Z 109.7 . . ?
H02Y C02F H02Z 108.2 . . ?
C01S C02G C029 108.9(12) . . ?
C01S C02G H030 109.9 . . ?
C029 C02G H030 109.9 . . ?
C01S C02G H031 109.9 . . ?
C029 C02G H031 109.9 . . ?
H030 C02G H031 108.3 . . ?
C016 C02H C02D 120.5(15) . . ?
C016 C02H H032 119.7 . . ?
C02D C02H H032 119.7 . . ?
C024 C02I C00V 111.1(11) . . ?
C024 C02I H033 109.4 . . ?
C00V C02I H033 109.4 . . ?
C024 C02I H034 109.4 . . ?
C00V C02I H034 109.4 . . ?
H033 C02I H034 108.0 . . ?
C028 C02J C02L 110.1(13) . . ?
C028 C02J C01L 109.0(12) . . ?
C02L C02J C01L 109.7(12) . . ?
C028 C02J H035 109.4 . . ?
C02L C02J H035 109.4 . . ?
C01L C02J H035 109.4 . . ?
C01Q C02L C02J 109.3(12) . . ?
C01Q C02L H036 109.8 . . ?
C02J C02L H036 109.8 . . ?
C01Q C02L H037 109.8 . . ?
C02J C02L H037 109.8 . . ?
H036 C02L H037 108.3 . . ?

_refine_diff_density_max         1.950
_refine_diff_density_min         -1.082
_refine_diff_density_rms         0.178

# start Validation Reply Form
_vrf_RINTA01_platon_sq           
;
PROBLEM: The value of Rint is greater than 0.18
RESPONSE: Crystals were small and weakly diffracting
;
_vrf_PLAT342_platon_sq           
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02008 Ang.  
RESPONSE: Crystals were small and weakly diffracting
;
# end Validation Reply Form




_exptl_crystal_recrystallization_method 'Vapor Diffusion'
