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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# 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 
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data_l0751a
_database_code_depnum_ccdc_archive 'CCDC 1440355'
_audit_update_record             
;
2015-12-03 deposited with the CCDC.
2016-01-04 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         
'C27 H36 Au N2 P4, C16 Al F36 O4, 0.5(C H2 Cl2)'
_chemical_formula_sum            'C43.50 H37 Al Au Cl F36 N2 O4 P4'
_chemical_formula_weight         1719.03

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'
Al Al 0.0645 0.0514 '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'
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'
O O 0.0106 0.0060 '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'

_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                   10.7137(3)
_cell_length_b                   38.3822(15)
_cell_length_c                   14.7478(4)
_cell_angle_alpha                90
_cell_angle_beta                 90.909(1)
_cell_angle_gamma                90
_cell_volume                     6063.8(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    55246
_cell_measurement_theta_min      1.59
_cell_measurement_theta_max      27.56


loop_
_diffrn_orient_matrix_type
_diffrn_orient_matrix_UB_11
_diffrn_orient_matrix_UB_12
_diffrn_orient_matrix_UB_13
_diffrn_orient_matrix_UB_21
_diffrn_orient_matrix_UB_22
_diffrn_orient_matrix_UB_23
_diffrn_orient_matrix_UB_31
_diffrn_orient_matrix_UB_32
_diffrn_orient_matrix_UB_33
'Nonius RMAT' 0.0276191 -0.0097242 -0.0593799 -0.0354763 -0.0232358 0.0165641
-0.0819120 0.0067847 -0.0283783
'Nonius RMAT' 0.0513470 -0.0191316 -0.0265865 -0.0622845 -0.0175727 0.0209693
-0.0470647 0.0023830 -0.0588142


_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.883
_exptl_crystal_F_000             3348
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.64
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.09
_exptl_absorpt_coefficient_mu    2.744
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2642
_exptl_absorpt_correction_T_max  0.4305
_exptl_absorpt_process_details   TWINABS-2012/1
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker Kappa ApexII'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            134937
_diffrn_reflns_av_unetI/netI     0.0288
_diffrn_reflns_av_R_equivalents  0.0421
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -49
_diffrn_reflns_limit_k_max       49
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.742
_diffrn_reflns_theta_max         27.809
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             14091
_reflns_number_gt                12651
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 _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       Apex2
_computing_cell_refinement       Peakref
_computing_data_reduction        'Eval15, TWINABS-2012/1'
_computing_structure_solution    SHELXT
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0315P)²+33.1871P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14091
_refine_ls_number_parameters     1049
_refine_ls_number_restraints     4893
_refine_ls_R_factor_all          0.0540
_refine_ls_R_factor_gt           0.0485
_refine_ls_wR_factor_ref         0.1230
_refine_ls_wR_factor_gt          0.1210
_refine_ls_goodness_of_fit_ref   1.184
_refine_ls_restrained_S_all      1.404
_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
Au1 Au 0.49977(2) 0.06755(2) 0.58448(2) 0.02807(7) Uani 1 1 d . . . . .
P1 P 0.40053(18) 0.04051(7) 0.45515(13) 0.0582(6) Uani 1 1 d . . . . .
P2 P 0.6005(2) 0.06361(8) 0.43847(14) 0.0781(8) Uani 1 1 d . . . . .
P3 P 0.4530(4) 0.07188(8) 0.33972(15) 0.1061(13) Uani 1 1 d . . . . .
P4 P 0.5316(2) 0.02082(6) 0.35747(12) 0.0581(5) Uani 1 1 d . . . . .
N1 N 0.5163(4) 0.08210(11) 0.7931(3) 0.0208(8) Uani 1 1 d . . . . .
N2 N 0.5112(4) 0.12808(11) 0.7093(3) 0.0212(8) Uani 1 1 d . . . . .
C1 C 0.5097(4) 0.09328(13) 0.7052(3) 0.0216(9) Uani 1 1 d . . . . .
C2 C 0.5223(5) 0.11078(13) 0.8504(3) 0.0237(10) Uani 1 1 d . . . . .
H2 H 0.5283 0.1102 0.9147 0.028 Uiso 1 1 calc R U . . .
C3 C 0.5181(5) 0.13949(13) 0.7986(3) 0.0239(10) Uani 1 1 d . . . . .
H3 H 0.5195 0.1630 0.8189 0.029 Uiso 1 1 calc R U . . .
C4 C 0.5162(5) 0.04623(13) 0.8219(3) 0.0224(9) Uani 1 1 d . . . . .
C5 C 0.4030(5) 0.03172(13) 0.8511(3) 0.0267(10) Uani 1 1 d . . . . .
C6 C 0.4057(6) -0.00272(14) 0.8788(4) 0.0339(12) Uani 1 1 d . . . . .
H6 H 0.3305 -0.0135 0.8976 0.041 Uiso 1 1 calc R U . . .
C7 C 0.5148(6) -0.02187(14) 0.8799(4) 0.0352(12) Uani 1 1 d . . . . .
H7 H 0.5147 -0.0453 0.9009 0.042 Uiso 1 1 calc R U . . .
C8 C 0.6250(6) -0.00678(15) 0.8501(4) 0.0343(12) Uani 1 1 d . . . . .
H8 H 0.6992 -0.0204 0.8492 0.041 Uiso 1 1 calc R U . . .
C9 C 0.6289(5) 0.02758(14) 0.8216(3) 0.0280(10) Uani 1 1 d . . . . .
C10 C 0.2826(5) 0.05273(15) 0.8496(4) 0.0300(11) Uani 1 1 d . . . . .
H10 H 0.3053 0.0779 0.8552 0.036 Uiso 1 1 calc R U . . .
C11 C 0.1977(6) 0.04349(17) 0.9290(4) 0.0392(13) Uani 1 1 d . . . . .
H11A H 0.1637 0.0200 0.9201 0.059 Uiso 1 1 calc R U . . .
H11B H 0.1290 0.0603 0.9317 0.059 Uiso 1 1 calc R U . . .
H11C H 0.2462 0.0443 0.9859 0.059 Uiso 1 1 calc R U . . .
C12 C 0.2134(6) 0.04779(18) 0.7591(4) 0.0422(14) Uani 1 1 d . . . . .
H12A H 0.2676 0.0548 0.7095 0.063 Uiso 1 1 calc R U . . .
H12B H 0.1378 0.0622 0.7581 0.063 Uiso 1 1 calc R U . . .
H12C H 0.1904 0.0232 0.7518 0.063 Uiso 1 1 calc R U . . .
C13 C 0.7513(5) 0.04417(16) 0.7917(4) 0.0361(13) Uani 1 1 d . . . . .
H13 H 0.7355 0.0695 0.7805 0.043 Uiso 1 1 calc R U . . .
C14 C 0.8513(6) 0.0411(2) 0.8665(5) 0.0547(18) Uani 1 1 d . . . . .
H14A H 0.8165 0.0485 0.9244 0.082 Uiso 1 1 calc R U . . .
H14B H 0.9226 0.0559 0.8517 0.082 Uiso 1 1 calc R U . . .
H14C H 0.8790 0.0168 0.8712 0.082 Uiso 1 1 calc R U . . .
C15 C 0.7965(6) 0.02807(19) 0.7038(5) 0.0482(16) Uani 1 1 d . . . . .
H15A H 0.8146 0.0033 0.7135 0.072 Uiso 1 1 calc R U . . .
H15B H 0.8724 0.0400 0.6845 0.072 Uiso 1 1 calc R U . . .
H15C H 0.7315 0.0305 0.6567 0.072 Uiso 1 1 calc R U . . .
C16 C 0.5058(5) 0.15003(12) 0.6286(3) 0.0219(9) Uani 1 1 d . . . . .
C17 C 0.6160(5) 0.16342(14) 0.5945(3) 0.0266(10) Uani 1 1 d . . . . .
C18 C 0.6071(6) 0.18285(17) 0.5147(4) 0.0396(14) Uani 1 1 d . . . . .
H18 H 0.6805 0.1924 0.4895 0.048 Uiso 1 1 calc R U . . .
C19 C 0.4931(6) 0.18837(17) 0.4719(4) 0.0410(14) Uani 1 1 d . . . . .
H19 H 0.4891 0.2019 0.4179 0.049 Uiso 1 1 calc R U . . .
C20 C 0.3850(6) 0.17445(16) 0.5068(4) 0.0365(13) Uani 1 1 d . . . . .
H20 H 0.3074 0.1782 0.4763 0.044 Uiso 1 1 calc R U . . .
C21 C 0.3891(5) 0.15474(14) 0.5871(4) 0.0283(11) Uani 1 1 d . . . . .
C22 C 0.7419(5) 0.15718(16) 0.6407(4) 0.0335(12) Uani 1 1 d . . . . .
H22 H 0.7265 0.1514 0.7057 0.040 Uiso 1 1 calc R U . . .
C23 C 0.8075(6) 0.1262(2) 0.5981(6) 0.0543(18) Uani 1 1 d . . . . .
H23A H 0.7562 0.1052 0.6051 0.081 Uiso 1 1 calc R U . . .
H23B H 0.8887 0.1227 0.6282 0.081 Uiso 1 1 calc R U . . .
H23C H 0.8198 0.1307 0.5334 0.081 Uiso 1 1 calc R U . . .
C24 C 0.8268(6) 0.18922(19) 0.6384(4) 0.0433(15) Uani 1 1 d . . . . .
H24A H 0.8550 0.1931 0.5763 0.065 Uiso 1 1 calc R U . . .
H24B H 0.8994 0.1854 0.6785 0.065 Uiso 1 1 calc R U . . .
H24C H 0.7805 0.2097 0.6590 0.065 Uiso 1 1 calc R U . . .
C25 C 0.2681(5) 0.14094(17) 0.6269(4) 0.0366(13) Uani 1 1 d . . . . .
H25 H 0.2907 0.1235 0.6748 0.044 Uiso 1 1 calc R U . . .
C26 C 0.1968(7) 0.1705(2) 0.6718(6) 0.065(2) Uani 1 1 d . . . . .
H26A H 0.2483 0.1806 0.7206 0.097 Uiso 1 1 calc R U . . .
H26B H 0.1193 0.1614 0.6971 0.097 Uiso 1 1 calc R U . . .
H26C H 0.1769 0.1885 0.6267 0.097 Uiso 1 1 calc R U . . .
C27 C 0.1850(6) 0.1229(2) 0.5572(6) 0.060(2) Uani 1 1 d . . . . .
H27A H 0.1559 0.1399 0.5120 0.090 Uiso 1 1 calc R U . . .
H27B H 0.1130 0.1126 0.5874 0.090 Uiso 1 1 calc R U . . .
H27C H 0.2324 0.1045 0.5271 0.090 Uiso 1 1 calc R U . . .
Al1 Al 0.02962(13) 0.16372(4) 0.14212(9) 0.0210(3) Uani 1 1 d D . . . .
F1 F 0.5016(3) 0.19173(13) 0.1055(3) 0.0655(13) Uani 1 1 d D . . . .
F2 F 0.3874(4) 0.18109(12) -0.0130(2) 0.0570(11) Uani 1 1 d D . . . .
F3 F 0.3345(4) 0.22130(10) 0.0803(3) 0.0584(11) Uani 1 1 d D . . . .
F4 F 0.2536(4) 0.15085(12) 0.2819(2) 0.0568(11) Uani 1 1 d D . . . .
F5 F 0.3414(4) 0.19991(11) 0.2561(3) 0.0614(11) Uani 1 1 d D . . . .
F6 F 0.4503(4) 0.15273(13) 0.2535(3) 0.0630(12) Uani 1 1 d D . . . .
F7 F 0.2996(4) 0.10157(10) 0.1553(3) 0.0562(10) Uani 1 1 d D . . . .
F8 F 0.2861(4) 0.11897(11) 0.0167(3) 0.0549(10) Uani 1 1 d D . . . .
F9 F 0.4625(3) 0.12091(12) 0.0882(3) 0.0609(12) Uani 1 1 d D . . . .
F10 F 0.0073(4) 0.21204(12) -0.1661(2) 0.0563(11) Uani 1 1 d D . . . .
F11 F 0.0721(4) 0.22584(10) -0.0322(3) 0.0548(10) Uani 1 1 d D . . . .
F12 F 0.1357(3) 0.17884(12) -0.0932(3) 0.0552(11) Uani 1 1 d D . . . .
F13 F -0.2372(4) 0.19578(12) -0.1466(2) 0.0554(11) Uani 1 1 d D . . . .
F14 F -0.1821(4) 0.23314(10) -0.0433(3) 0.0644(12) Uani 1 1 d D . . . .
F15 F -0.2878(3) 0.18760(14) -0.0086(3) 0.0660(13) Uani 1 1 d D . . . .
F16 F 0.0044(4) 0.12152(10) -0.0489(3) 0.0526(10) Uani 1 1 d D . . . .
F17 F -0.0673(4) 0.14250(11) -0.1738(2) 0.0535(10) Uani 1 1 d D . . . .
F18 F -0.1918(4) 0.12753(12) -0.0682(3) 0.0640(12) Uani 1 1 d D . . . .
F19A F -0.2321(14) 0.2469(4) 0.3214(13) 0.076(6) Uani 0.39(2) 1 d D U P A 1
F20A F -0.2541(12) 0.1919(3) 0.2920(18) 0.102(7) Uani 0.39(2) 1 d D U P A 1
F21A F -0.2303(15) 0.2297(7) 0.1845(7) 0.117(9) Uani 0.39(2) 1 d D U P A 1
F19B F -0.2382(11) 0.25186(19) 0.2866(9) 0.076(4) Uani 0.61(2) 1 d D U P A 2
F20B F -0.2397(10) 0.1991(3) 0.3350(7) 0.082(4) Uani 0.61(2) 1 d D U P A 2
F21B F -0.2466(6) 0.2068(3) 0.1939(5) 0.068(3) Uani 0.61(2) 1 d D U P A 2
F22A F -0.0356(15) 0.2794(2) 0.2489(11) 0.054(4) Uani 0.44(2) 1 d D U P B 3
F23A F -0.011(2) 0.2475(4) 0.1302(4) 0.116(7) Uani 0.44(2) 1 d D U P B 3
F24A F 0.1271(7) 0.2489(4) 0.2374(15) 0.108(7) Uani 0.44(2) 1 d D U P B 3
F22B F 0.0064(13) 0.2788(2) 0.2613(8) 0.055(3) Uani 0.56(2) 1 d D U P B 4
F23B F -0.0774(9) 0.2544(2) 0.1450(5) 0.059(3) Uani 0.56(2) 1 d D U P B 4
F24B F 0.1096(8) 0.2423(2) 0.1797(9) 0.067(4) Uani 0.56(2) 1 d D U P B 4
F25A F -0.0570(13) 0.2440(3) 0.4187(5) 0.080(4) Uani 0.69(2) 1 d D U P C 5
F26A F -0.0172(14) 0.18906(17) 0.4131(5) 0.081(4) Uani 0.69(2) 1 d D U P C 5
F27A F 0.1193(6) 0.2262(4) 0.3691(6) 0.093(4) Uani 0.69(2) 1 d D U P C 5
F25B F 0.000(2) 0.2500(3) 0.4088(11) 0.059(6) Uani 0.31(2) 1 d D U P C 6
F26B F -0.0857(19) 0.1997(6) 0.4192(8) 0.077(7) Uani 0.31(2) 1 d D U P C 6
F27B F 0.1046(13) 0.2028(6) 0.3857(9) 0.064(6) Uani 0.31(2) 1 d D U P C 6
O1 O 0.1835(3) 0.16938(10) 0.1136(3) 0.0304(8) Uani 1 1 d D . . . .
O2 O -0.0598(3) 0.17647(11) 0.0501(2) 0.0329(8) Uani 1 1 d D . . . .
O3 O -0.0151(4) 0.18710(9) 0.2355(2) 0.0288(8) Uani 1 1 d D . . . .
O4 O 0.0073(4) 0.12031(8) 0.1679(3) 0.0325(8) Uani 1 1 d D . . . .
C28 C 0.3068(4) 0.16290(11) 0.1292(3) 0.0303(11) Uani 1 1 d D . . . .
C29 C 0.3842(4) 0.18980(13) 0.0749(3) 0.0431(14) Uani 1 1 d D . . . .
C30 C 0.3396(5) 0.16656(14) 0.2313(3) 0.0460(15) Uani 1 1 d D . . . .
C31 C 0.3397(4) 0.12576(13) 0.0974(3) 0.0426(14) Uani 1 1 d D . . . .
C32 C -0.0743(4) 0.17929(11) -0.0415(3) 0.0284(11) Uani 1 1 d D . . . .
C33 C 0.0356(4) 0.19931(13) -0.0842(3) 0.0414(14) Uani 1 1 d D . . . .
C34 C -0.1978(4) 0.19934(14) -0.0611(3) 0.0448(15) Uani 1 1 d D . . . .
C35 C -0.0824(5) 0.14252(13) -0.0841(3) 0.0424(14) Uani 1 1 d D . . . .
C36 C -0.0512(4) 0.21785(11) 0.2711(3) 0.0345(12) Uani 1 1 d D . . . .
C37 C -0.1958(5) 0.22031(14) 0.2691(4) 0.063(2) Uani 1 1 d D . . . .
C38 C 0.0022(5) 0.24882(12) 0.2180(4) 0.059(2) Uani 1 1 d D . . . .
C39 C -0.0039(5) 0.21882(13) 0.3710(3) 0.058(2) Uani 1 1 d D . . . .
C40 C -0.0633(4) 0.09603(11) 0.2103(3) 0.0416(14) Uani 1 1 d D . . . .
F28A F -0.1050(9) 0.07497(18) 0.3594(4) 0.073(3) Uani 0.780(8) 1 d D U P D 7
F29A F 0.0393(7) 0.1130(3) 0.3457(6) 0.072(3) Uani 0.780(8) 1 d D U P D 7
F30A F -0.1547(6) 0.12810(14) 0.3313(4) 0.0617(18) Uani 0.780(8) 1 d D U P D 7
F31A F -0.0803(10) 0.03365(13) 0.2127(6) 0.095(5) Uani 0.780(8) 1 d D U P D 7
F32A F 0.0242(10) 0.05656(19) 0.1055(5) 0.097(4) Uani 0.780(8) 1 d D U P D 7
F33A F 0.0970(7) 0.05673(18) 0.2438(6) 0.107(3) Uani 0.780(8) 1 d D U P D 7
F34A F -0.2405(6) 0.12907(17) 0.1612(6) 0.070(2) Uani 0.780(8) 1 d D U P D 7
F35A F -0.2786(7) 0.0788(2) 0.2214(7) 0.084(5) Uani 0.780(8) 1 d D U P D 7
F36A F -0.2072(7) 0.0821(2) 0.0874(4) 0.087(3) Uani 0.780(8) 1 d D U P D 7
C41A C -0.0723(6) 0.10349(16) 0.3131(4) 0.048(2) Uani 0.780(8) 1 d D U P D 7
C42A C -0.0054(7) 0.06007(15) 0.1924(5) 0.063(3) Uani 0.780(8) 1 d D U P D 7
C43A C -0.1988(6) 0.09657(18) 0.1695(4) 0.057(3) Uani 0.780(8) 1 d D U P D 7
F28B F 0.1002(16) 0.0757(6) 0.3113(14) 0.086(8) Uani 0.220(8) 1 d D U P D 8
F29B F 0.006(3) 0.1223(5) 0.3494(14) 0.044(6) Uani 0.220(8) 1 d D U P D 8
F30B F -0.088(2) 0.0729(8) 0.3590(14) 0.14(3) Uani 0.220(8) 1 d D U P D 8
F31B F -0.066(3) 0.0337(4) 0.2135(17) 0.13(3) Uani 0.220(8) 1 d D U P D 8
F32B F -0.105(2) 0.0588(5) 0.0856(11) 0.083(8) Uani 0.220(8) 1 d D U P D 8
F33B F 0.0828(13) 0.0576(5) 0.1407(14) 0.050(6) Uani 0.220(8) 1 d D U P D 8
F34B F -0.2277(19) 0.1285(6) 0.2725(16) 0.096(9) Uani 0.220(8) 1 d D U P D 8
F35B F -0.2430(19) 0.1156(8) 0.1308(13) 0.078(10) Uani 0.220(8) 1 d D U P D 8
F36B F -0.2710(18) 0.0762(6) 0.232(2) 0.10(2) Uani 0.220(8) 1 d D U P D 8
C41B C -0.0105(13) 0.0917(4) 0.3087(6) 0.055(9) Uani 0.220(8) 1 d D U P D 8
C42B C -0.0375(13) 0.0608(2) 0.1617(8) 0.033(7) Uani 0.220(8) 1 d D U P D 8
C43B C -0.2030(7) 0.1041(4) 0.2112(11) 0.067(12) Uani 0.220(8) 1 d D U P D 8
Cl1 Cl -0.1163(6) -0.0051(2) 0.4506(5) 0.093(2) Uani 0.5 1 d D U P E -9
Cl2 Cl 0.0821(9) 0.0287(3) 0.5269(7) 0.150(4) Uani 0.5 1 d D U P E -9
C44 C 0.012(2) -0.0127(4) 0.523(2) 0.143(12) Uani 0.5 1 d D U P E -9
H44A H 0.0695 -0.0303 0.4975 0.172 Uiso 0.5 1 calc R U P E -9
H44B H -0.0142 -0.0203 0.5838 0.172 Uiso 0.5 1 calc R U P E -9


_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 C1 2.037(5) . ?
Au1 P1 2.4043(17) . ?
Au1 P2 2.4286(19) . ?
P1 P4 2.164(3) . ?
P1 P3 2.167(4) . ?
P1 P2 2.335(3) . ?
P2 P4 2.155(3) . ?
P2 P3 2.156(4) . ?
P3 P4 2.148(3) . ?
N1 C1 1.367(6) . ?
N1 C2 1.389(6) . ?
N1 C4 1.441(6) . ?
N2 C1 1.337(6) . ?
N2 C3 1.388(6) . ?
N2 C16 1.459(6) . ?
C2 C3 1.342(7) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 C9 1.404(7) . ?
C4 C5 1.408(7) . ?
C5 C6 1.384(8) . ?
C5 C10 1.521(7) . ?
C6 C7 1.381(8) . ?
C6 H6 0.9500 . ?
C7 C8 1.393(9) . ?
C7 H7 0.9500 . ?
C8 C9 1.385(8) . ?
C8 H8 0.9500 . ?
C9 C13 1.529(8) . ?
C10 C12 1.528(8) . ?
C10 C11 1.536(8) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C15 1.522(9) . ?
C13 C14 1.530(9) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.389(7) . ?
C16 C21 1.395(7) . ?
C17 C18 1.395(7) . ?
C17 C22 1.520(7) . ?
C18 C19 1.382(9) . ?
C18 H18 0.9500 . ?
C19 C20 1.382(9) . ?
C19 H19 0.9500 . ?
C20 C21 1.406(8) . ?
C20 H20 0.9500 . ?
C21 C25 1.526(7) . ?
C22 C23 1.522(9) . ?
C22 C24 1.531(8) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C27 1.517(9) . ?
C25 C26 1.526(10) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
Al1 O3 1.718(3) . ?
Al1 O2 1.720(3) . ?
Al1 O1 1.722(3) . ?
Al1 O4 1.726(3) . ?
F1 C29 1.332(5) . ?
F2 C29 1.339(5) . ?
F3 C29 1.324(5) . ?
F4 C30 1.338(5) . ?
F5 C30 1.332(5) . ?
F6 C30 1.336(5) . ?
F7 C31 1.337(5) . ?
F8 C31 1.338(5) . ?
F9 C31 1.338(5) . ?
F10 C33 1.334(5) . ?
F11 C33 1.330(5) . ?
F12 C33 1.338(5) . ?
F13 C34 1.330(5) . ?
F14 C34 1.334(5) . ?
F15 C34 1.325(5) . ?
F16 C35 1.329(5) . ?
F17 C35 1.336(5) . ?
F18 C35 1.330(5) . ?
F19A C37 1.341(6) . ?
F20A C37 1.303(6) . ?
F21A C37 1.345(7) . ?
F19B C37 1.320(6) . ?
F20B C37 1.358(6) . ?
F21B C37 1.332(6) . ?
F22A C38 1.325(6) . ?
F23A C38 1.300(6) . ?
F24A C38 1.364(7) . ?
F22B C38 1.316(6) . ?
F23B C38 1.380(6) . ?
F24B C38 1.314(6) . ?
F25A C39 1.328(6) . ?
F26A C39 1.309(6) . ?
F27A C39 1.350(6) . ?
F25B C39 1.322(6) . ?
F26B C39 1.354(6) . ?
F27B C39 1.330(6) . ?
O1 C28 1.360(5) . ?
O2 C32 1.361(5) . ?
O3 C36 1.351(5) . ?
O4 C40 1.359(5) . ?
C28 C31 1.543(5) . ?
C28 C30 1.547(5) . ?
C28 C29 1.554(5) . ?
C32 C35 1.547(5) . ?
C32 C33 1.548(5) . ?
C32 C34 1.554(5) . ?
C36 C38 1.539(5) . ?
C36 C39 1.550(5) . ?
C36 C37 1.552(5) . ?
C40 C43B 1.528(6) . ?
C40 C42A 1.538(6) . ?
C40 C41A 1.548(6) . ?
C40 C42B 1.557(6) . ?
C40 C41B 1.559(6) . ?
C40 C43A 1.562(6) . ?
F28A C41A 1.340(6) . ?
F29A C41A 1.333(6) . ?
F30A C41A 1.323(6) . ?
F31A C42A 1.330(6) . ?
F32A C42A 1.332(6) . ?
F33A C42A 1.330(6) . ?
F34A C43A 1.330(6) . ?
F35A C43A 1.341(6) . ?
F36A C43A 1.334(6) . ?
F28B C41B 1.335(7) . ?
F29B C41B 1.329(7) . ?
F30B C41B 1.332(7) . ?
F31B C42B 1.331(7) . ?
F32B C42B 1.326(7) . ?
F33B C42B 1.336(7) . ?
F34B C43B 1.332(7) . ?
F35B C43B 1.330(7) . ?
F36B C43B 1.336(7) . ?
Cl1 C44 1.754(10) . ?
Cl2 C44 1.756(10) . ?
C44 H44A 0.9900 . ?
C44 H44B 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
C1 Au1 P1 156.75(14) . . ?
C1 Au1 P2 141.92(14) . . ?
P1 Au1 P2 57.79(7) . . ?
P4 P1 P3 59.46(11) . . ?
P4 P1 P2 57.07(10) . . ?
P3 P1 P2 57.07(14) . . ?
P4 P1 Au1 113.30(10) . . ?
P3 P1 Au1 105.45(13) . . ?
P2 P1 Au1 61.63(6) . . ?
P4 P2 P3 59.77(11) . . ?
P4 P2 P1 57.45(9) . . ?
P3 P2 P1 57.52(13) . . ?
P4 P2 Au1 112.69(10) . . ?
P3 P2 Au1 104.97(14) . . ?
P1 P2 Au1 60.58(6) . . ?
P4 P3 P2 60.09(12) . . ?
P4 P3 P1 60.20(11) . . ?
P2 P3 P1 65.41(10) . . ?
P3 P4 P2 60.14(14) . . ?
P3 P4 P1 60.34(12) . . ?
P2 P4 P1 65.48(9) . . ?
C1 N1 C2 109.3(4) . . ?
C1 N1 C4 125.4(4) . . ?
C2 N1 C4 125.3(4) . . ?
C1 N2 C3 111.0(4) . . ?
C1 N2 C16 122.6(4) . . ?
C3 N2 C16 126.3(4) . . ?
N2 C1 N1 105.6(4) . . ?
N2 C1 Au1 121.7(3) . . ?
N1 C1 Au1 132.7(4) . . ?
C3 C2 N1 107.6(4) . . ?
C3 C2 H2 126.2 . . ?
N1 C2 H2 126.2 . . ?
C2 C3 N2 106.4(4) . . ?
C2 C3 H3 126.8 . . ?
N2 C3 H3 126.8 . . ?
C9 C4 C5 123.0(5) . . ?
C9 C4 N1 118.8(4) . . ?
C5 C4 N1 118.2(4) . . ?
C6 C5 C4 117.0(5) . . ?
C6 C5 C10 121.6(5) . . ?
C4 C5 C10 121.3(5) . . ?
C7 C6 C5 121.7(5) . . ?
C7 C6 H6 119.2 . . ?
C5 C6 H6 119.2 . . ?
C6 C7 C8 119.8(5) . . ?
C6 C7 H7 120.1 . . ?
C8 C7 H7 120.1 . . ?
C9 C8 C7 121.4(5) . . ?
C9 C8 H8 119.3 . . ?
C7 C8 H8 119.3 . . ?
C8 C9 C4 117.1(5) . . ?
C8 C9 C13 120.9(5) . . ?
C4 C9 C13 122.0(5) . . ?
C5 C10 C12 110.3(5) . . ?
C5 C10 C11 112.3(5) . . ?
C12 C10 C11 110.6(5) . . ?
C5 C10 H10 107.8 . . ?
C12 C10 H10 107.8 . . ?
C11 C10 H10 107.8 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C15 C13 C9 111.3(5) . . ?
C15 C13 C14 110.7(5) . . ?
C9 C13 C14 110.7(5) . . ?
C15 C13 H13 108.0 . . ?
C9 C13 H13 108.0 . . ?
C14 C13 H13 108.0 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C21 123.6(4) . . ?
C17 C16 N2 119.1(4) . . ?
C21 C16 N2 117.2(4) . . ?
C16 C17 C18 117.1(5) . . ?
C16 C17 C22 122.2(5) . . ?
C18 C17 C22 120.7(5) . . ?
C19 C18 C17 121.0(5) . . ?
C19 C18 H18 119.5 . . ?
C17 C18 H18 119.5 . . ?
C18 C19 C20 120.6(5) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 H19 119.7 . . ?
C19 C20 C21 120.4(5) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 H20 119.8 . . ?
C16 C21 C20 117.1(5) . . ?
C16 C21 C25 123.2(5) . . ?
C20 C21 C25 119.7(5) . . ?
C17 C22 C23 110.5(5) . . ?
C17 C22 C24 112.8(5) . . ?
C23 C22 C24 109.9(5) . . ?
C17 C22 H22 107.8 . . ?
C23 C22 H22 107.8 . . ?
C24 C22 H22 107.8 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C27 C25 C21 113.0(5) . . ?
C27 C25 C26 110.0(6) . . ?
C21 C25 C26 110.1(5) . . ?
C27 C25 H25 107.8 . . ?
C21 C25 H25 107.8 . . ?
C26 C25 H25 107.8 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O3 Al1 O2 108.96(19) . . ?
O3 Al1 O1 114.2(2) . . ?
O2 Al1 O1 107.14(19) . . ?
O3 Al1 O4 106.65(18) . . ?
O2 Al1 O4 111.8(2) . . ?
O1 Al1 O4 108.18(19) . . ?
C28 O1 Al1 150.1(3) . . ?
C32 O2 Al1 149.2(3) . . ?
C36 O3 Al1 148.6(3) . . ?
C40 O4 Al1 147.4(3) . . ?
O1 C28 C31 110.1(4) . . ?
O1 C28 C30 110.7(3) . . ?
C31 C28 C30 109.3(4) . . ?
O1 C28 C29 108.4(3) . . ?
C31 C28 C29 109.3(3) . . ?
C30 C28 C29 109.1(4) . . ?
F3 C29 F1 107.9(4) . . ?
F3 C29 F2 107.6(4) . . ?
F1 C29 F2 107.7(4) . . ?
F3 C29 C28 110.9(4) . . ?
F1 C29 C28 111.8(4) . . ?
F2 C29 C28 110.8(4) . . ?
F5 C30 F6 107.8(4) . . ?
F5 C30 F4 106.7(4) . . ?
F6 C30 F4 107.5(4) . . ?
F5 C30 C28 110.9(4) . . ?
F6 C30 C28 112.9(4) . . ?
F4 C30 C28 110.8(4) . . ?
F7 C31 F9 107.1(4) . . ?
F7 C31 F8 107.2(4) . . ?
F9 C31 F8 107.0(4) . . ?
F7 C31 C28 111.7(4) . . ?
F9 C31 C28 112.9(4) . . ?
F8 C31 C28 110.7(4) . . ?
O2 C32 C35 109.6(4) . . ?
O2 C32 C33 111.6(3) . . ?
C35 C32 C33 109.0(3) . . ?
O2 C32 C34 107.9(3) . . ?
C35 C32 C34 109.5(3) . . ?
C33 C32 C34 109.2(4) . . ?
F11 C33 F10 107.6(4) . . ?
F11 C33 F12 106.1(4) . . ?
F10 C33 F12 107.2(4) . . ?
F11 C33 C32 111.4(4) . . ?
F10 C33 C32 112.8(4) . . ?
F12 C33 C32 111.4(4) . . ?
F15 C34 F13 107.3(4) . . ?
F15 C34 F14 107.8(5) . . ?
F13 C34 F14 108.9(4) . . ?
F15 C34 C32 110.4(4) . . ?
F13 C34 C32 112.4(4) . . ?
F14 C34 C32 109.9(4) . . ?
F16 C35 F18 106.4(4) . . ?
F16 C35 F17 106.9(4) . . ?
F18 C35 F17 107.1(4) . . ?
F16 C35 C32 111.1(4) . . ?
F18 C35 C32 111.6(4) . . ?
F17 C35 C32 113.3(4) . . ?
O3 C36 C38 111.4(3) . . ?
O3 C36 C39 107.4(3) . . ?
C38 C36 C39 110.3(4) . . ?
O3 C36 C37 109.7(4) . . ?
C38 C36 C37 108.8(4) . . ?
C39 C36 C37 109.2(4) . . ?
F19B C37 F21B 112.4(7) . . ?
F20A C37 F19A 110.0(9) . . ?
F20A C37 F21A 109.8(9) . . ?
F19A C37 F21A 104.5(8) . . ?
F19B C37 F20B 106.6(6) . . ?
F21B C37 F20B 102.8(6) . . ?
F20A C37 C36 115.2(7) . . ?
F19B C37 C36 113.5(7) . . ?
F21B C37 C36 112.8(5) . . ?
F19A C37 C36 109.5(7) . . ?
F21A C37 C36 107.1(7) . . ?
F20B C37 C36 107.8(6) . . ?
F24B C38 F22B 110.5(7) . . ?
F23A C38 F22A 110.4(8) . . ?
F23A C38 F24A 107.4(8) . . ?
F22A C38 F24A 103.3(7) . . ?
F24B C38 F23B 103.2(6) . . ?
F22B C38 F23B 105.0(7) . . ?
F23A C38 C36 116.3(6) . . ?
F24B C38 C36 114.1(5) . . ?
F22B C38 C36 116.0(7) . . ?
F22A C38 C36 113.0(7) . . ?
F24A C38 C36 105.4(6) . . ?
F23B C38 C36 106.7(5) . . ?
F26A C39 F25A 109.4(6) . . ?
F25B C39 F27B 109.1(8) . . ?
F26A C39 F27A 107.8(6) . . ?
F25A C39 F27A 106.6(6) . . ?
F25B C39 F26B 106.7(8) . . ?
F27B C39 F26B 103.6(8) . . ?
F26A C39 C36 113.2(5) . . ?
F25B C39 C36 115.5(8) . . ?
F25A C39 C36 112.6(5) . . ?
F27B C39 C36 114.6(6) . . ?
F27A C39 C36 106.9(5) . . ?
F26B C39 C36 106.4(7) . . ?
O4 C40 C43B 114.7(6) . . ?
O4 C40 C42A 107.9(4) . . ?
O4 C40 C41A 111.6(4) . . ?
C42A C40 C41A 111.4(4) . . ?
O4 C40 C42B 106.2(5) . . ?
C43B C40 C42B 111.2(7) . . ?
O4 C40 C41B 107.8(6) . . ?
C43B C40 C41B 110.8(7) . . ?
C42B C40 C41B 105.7(6) . . ?
O4 C40 C43A 109.6(4) . . ?
C42A C40 C43A 108.7(4) . . ?
C41A C40 C43A 107.6(4) . . ?
F30A C41A F29A 109.2(6) . . ?
F30A C41A F28A 107.4(6) . . ?
F29A C41A F28A 106.3(7) . . ?
F30A C41A C40 112.5(5) . . ?
F29A C41A C40 109.6(5) . . ?
F28A C41A C40 111.7(5) . . ?
F33A C42A F31A 107.1(7) . . ?
F33A C42A F32A 109.4(7) . . ?
F31A C42A F32A 107.1(6) . . ?
F33A C42A C40 108.7(5) . . ?
F31A C42A C40 113.5(6) . . ?
F32A C42A C40 111.0(5) . . ?
F34A C43A F36A 106.7(6) . . ?
F34A C43A F35A 108.2(7) . . ?
F36A C43A F35A 105.8(6) . . ?
F34A C43A C40 110.9(5) . . ?
F36A C43A C40 113.1(5) . . ?
F35A C43A C40 111.8(6) . . ?
F29B C41B F30B 107.8(10) . . ?
F29B C41B F28B 106.5(10) . . ?
F30B C41B F28B 107.0(10) . . ?
F29B C41B C40 111.6(9) . . ?
F30B C41B C40 111.0(10) . . ?
F28B C41B C40 112.7(9) . . ?
F32B C42B F31B 108.2(10) . . ?
F32B C42B F33B 108.1(10) . . ?
F31B C42B F33B 107.1(10) . . ?
F32B C42B C40 110.0(9) . . ?
F31B C42B C40 111.8(10) . . ?
F33B C42B C40 111.5(9) . . ?
F35B C43B F34B 108.0(10) . . ?
F35B C43B F36B 107.7(10) . . ?
F34B C43B F36B 106.9(10) . . ?
F35B C43B C40 111.2(9) . . ?
F34B C43B C40 110.8(9) . . ?
F36B C43B C40 112.1(10) . . ?
Cl1 C44 Cl2 101.5(6) . . ?
Cl1 C44 H44A 111.5 . . ?
Cl2 C44 H44A 111.5 . . ?
Cl1 C44 H44B 111.5 . . ?
Cl2 C44 H44B 111.5 . . ?
H44A C44 H44B 109.3 . . ?

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
C3 N2 C1 N1 -0.3(5) . . . . ?
C16 N2 C1 N1 179.8(4) . . . . ?
C3 N2 C1 Au1 179.9(3) . . . . ?
C16 N2 C1 Au1 0.0(6) . . . . ?
C2 N1 C1 N2 -0.2(5) . . . . ?
C4 N1 C1 N2 179.3(4) . . . . ?
C2 N1 C1 Au1 179.6(4) . . . . ?
C4 N1 C1 Au1 -0.9(7) . . . . ?
C1 N1 C2 C3 0.6(5) . . . . ?
C4 N1 C2 C3 -178.9(4) . . . . ?
N1 C2 C3 N2 -0.8(5) . . . . ?
C1 N2 C3 C2 0.7(6) . . . . ?
C16 N2 C3 C2 -179.4(4) . . . . ?
C1 N1 C4 C9 82.8(6) . . . . ?
C2 N1 C4 C9 -97.8(6) . . . . ?
C1 N1 C4 C5 -98.6(6) . . . . ?
C2 N1 C4 C5 80.9(6) . . . . ?
C9 C4 C5 C6 -1.1(7) . . . . ?
N1 C4 C5 C6 -179.7(4) . . . . ?
C9 C4 C5 C10 -179.5(5) . . . . ?
N1 C4 C5 C10 2.0(7) . . . . ?
C4 C5 C6 C7 1.4(8) . . . . ?
C10 C5 C6 C7 179.7(5) . . . . ?
C5 C6 C7 C8 -1.8(9) . . . . ?
C6 C7 C8 C9 1.9(9) . . . . ?
C7 C8 C9 C4 -1.6(8) . . . . ?
C7 C8 C9 C13 178.2(5) . . . . ?
C5 C4 C9 C8 1.2(7) . . . . ?
N1 C4 C9 C8 179.8(4) . . . . ?
C5 C4 C9 C13 -178.6(5) . . . . ?
N1 C4 C9 C13 0.0(7) . . . . ?
C6 C5 C10 C12 -87.5(6) . . . . ?
C4 C5 C10 C12 90.8(6) . . . . ?
C6 C5 C10 C11 36.3(7) . . . . ?
C4 C5 C10 C11 -145.4(5) . . . . ?
C8 C9 C13 C15 67.7(7) . . . . ?
C4 C9 C13 C15 -112.5(6) . . . . ?
C8 C9 C13 C14 -55.8(7) . . . . ?
C4 C9 C13 C14 123.9(6) . . . . ?
C1 N2 C16 C17 -97.8(6) . . . . ?
C3 N2 C16 C17 82.3(6) . . . . ?
C1 N2 C16 C21 78.7(6) . . . . ?
C3 N2 C16 C21 -101.2(6) . . . . ?
C21 C16 C17 C18 0.6(8) . . . . ?
N2 C16 C17 C18 176.9(5) . . . . ?
C21 C16 C17 C22 -178.8(5) . . . . ?
N2 C16 C17 C22 -2.5(7) . . . . ?
C16 C17 C18 C19 -0.1(9) . . . . ?
C22 C17 C18 C19 179.4(6) . . . . ?
C17 C18 C19 C20 -0.6(10) . . . . ?
C18 C19 C20 C21 0.7(10) . . . . ?
C17 C16 C21 C20 -0.5(8) . . . . ?
N2 C16 C21 C20 -176.9(5) . . . . ?
C17 C16 C21 C25 -177.9(5) . . . . ?
N2 C16 C21 C25 5.8(7) . . . . ?
C19 C20 C21 C16 -0.1(9) . . . . ?
C19 C20 C21 C25 177.3(6) . . . . ?
C16 C17 C22 C23 95.4(6) . . . . ?
C18 C17 C22 C23 -84.1(7) . . . . ?
C16 C17 C22 C24 -141.2(5) . . . . ?
C18 C17 C22 C24 39.4(7) . . . . ?
C16 C21 C25 C27 -134.1(6) . . . . ?
C20 C21 C25 C27 48.6(8) . . . . ?
C16 C21 C25 C26 102.4(7) . . . . ?
C20 C21 C25 C26 -74.8(7) . . . . ?
O3 Al1 O1 C28 75.6(7) . . . . ?
O2 Al1 O1 C28 -163.6(6) . . . . ?
O4 Al1 O1 C28 -43.0(7) . . . . ?
O3 Al1 O2 C32 156.9(6) . . . . ?
O1 Al1 O2 C32 32.9(7) . . . . ?
O4 Al1 O2 C32 -85.5(7) . . . . ?
O2 Al1 O3 C36 -39.9(7) . . . . ?
O1 Al1 O3 C36 79.8(6) . . . . ?
O4 Al1 O3 C36 -160.7(6) . . . . ?
O3 Al1 O4 C40 36.1(7) . . . . ?
O2 Al1 O4 C40 -82.9(6) . . . . ?
O1 Al1 O4 C40 159.4(6) . . . . ?
Al1 O1 C28 C31 75.7(7) . . . . ?
Al1 O1 C28 C30 -45.2(8) . . . . ?
Al1 O1 C28 C29 -164.8(6) . . . . ?
O1 C28 C29 F3 41.8(5) . . . . ?
C31 C28 C29 F3 161.9(4) . . . . ?
C30 C28 C29 F3 -78.7(5) . . . . ?
O1 C28 C29 F1 162.3(4) . . . . ?
C31 C28 C29 F1 -77.7(5) . . . . ?
C30 C28 C29 F1 41.7(5) . . . . ?
O1 C28 C29 F2 -77.6(5) . . . . ?
C31 C28 C29 F2 42.4(5) . . . . ?
C30 C28 C29 F2 161.9(4) . . . . ?
O1 C28 C30 F5 -73.7(5) . . . . ?
C31 C28 C30 F5 164.9(4) . . . . ?
C29 C28 C30 F5 45.5(5) . . . . ?
O1 C28 C30 F6 165.2(4) . . . . ?
C31 C28 C30 F6 43.8(5) . . . . ?
C29 C28 C30 F6 -75.6(5) . . . . ?
O1 C28 C30 F4 44.6(5) . . . . ?
C31 C28 C30 F4 -76.8(5) . . . . ?
C29 C28 C30 F4 163.8(4) . . . . ?
O1 C28 C31 F7 -75.9(5) . . . . ?
C30 C28 C31 F7 45.8(5) . . . . ?
C29 C28 C31 F7 165.1(4) . . . . ?
O1 C28 C31 F9 163.3(4) . . . . ?
C30 C28 C31 F9 -75.0(5) . . . . ?
C29 C28 C31 F9 44.3(5) . . . . ?
O1 C28 C31 F8 43.5(5) . . . . ?
C30 C28 C31 F8 165.2(4) . . . . ?
C29 C28 C31 F8 -75.5(5) . . . . ?
Al1 O2 C32 C35 65.5(7) . . . . ?
Al1 O2 C32 C33 -55.3(8) . . . . ?
Al1 O2 C32 C34 -175.3(6) . . . . ?
O2 C32 C33 F11 -39.0(5) . . . . ?
C35 C32 C33 F11 -160.2(4) . . . . ?
C34 C32 C33 F11 80.2(5) . . . . ?
O2 C32 C33 F10 -160.1(4) . . . . ?
C35 C32 C33 F10 78.7(5) . . . . ?
C34 C32 C33 F10 -40.9(5) . . . . ?
O2 C32 C33 F12 79.3(5) . . . . ?
C35 C32 C33 F12 -41.9(5) . . . . ?
C34 C32 C33 F12 -161.5(4) . . . . ?
O2 C32 C34 F15 -44.0(5) . . . . ?
C35 C32 C34 F15 75.2(5) . . . . ?
C33 C32 C34 F15 -165.5(4) . . . . ?
O2 C32 C34 F13 -163.8(4) . . . . ?
C35 C32 C34 F13 -44.5(5) . . . . ?
C33 C32 C34 F13 74.8(5) . . . . ?
O2 C32 C34 F14 74.8(5) . . . . ?
C35 C32 C34 F14 -166.0(4) . . . . ?
C33 C32 C34 F14 -46.6(5) . . . . ?
O2 C32 C35 F16 -44.8(5) . . . . ?
C33 C32 C35 F16 77.6(5) . . . . ?
C34 C32 C35 F16 -163.0(4) . . . . ?
O2 C32 C35 F18 73.8(5) . . . . ?
C33 C32 C35 F18 -163.9(4) . . . . ?
C34 C32 C35 F18 -44.4(5) . . . . ?
O2 C32 C35 F17 -165.2(4) . . . . ?
C33 C32 C35 F17 -42.8(5) . . . . ?
C34 C32 C35 F17 76.6(5) . . . . ?
Al1 O3 C36 C38 -28.4(8) . . . . ?
Al1 O3 C36 C39 -149.2(5) . . . . ?
Al1 O3 C36 C37 92.2(7) . . . . ?
O3 C36 C37 F20A 42.0(14) . . . . ?
C38 C36 C37 F20A 164.2(13) . . . . ?
C39 C36 C37 F20A -75.4(14) . . . . ?
O3 C36 C37 F19B -168.0(7) . . . . ?
C38 C36 C37 F19B -45.8(8) . . . . ?
C39 C36 C37 F19B 74.6(8) . . . . ?
O3 C36 C37 F21B -38.7(7) . . . . ?
C38 C36 C37 F21B 83.5(7) . . . . ?
C39 C36 C37 F21B -156.1(6) . . . . ?
O3 C36 C37 F19A 166.7(11) . . . . ?
C38 C36 C37 F19A -71.1(12) . . . . ?
C39 C36 C37 F19A 49.3(12) . . . . ?
O3 C36 C37 F21A -80.5(13) . . . . ?
C38 C36 C37 F21A 41.7(13) . . . . ?
C39 C36 C37 F21A 162.1(13) . . . . ?
O3 C36 C37 F20B 74.1(7) . . . . ?
C38 C36 C37 F20B -163.7(6) . . . . ?
C39 C36 C37 F20B -43.3(7) . . . . ?
O3 C36 C38 F23A 48.3(13) . . . . ?
C39 C36 C38 F23A 167.5(13) . . . . ?
C37 C36 C38 F23A -72.8(14) . . . . ?
O3 C36 C38 F24B -29.5(8) . . . . ?
C39 C36 C38 F24B 89.7(8) . . . . ?
C37 C36 C38 F24B -150.6(7) . . . . ?
O3 C36 C38 F22B -159.6(8) . . . . ?
C39 C36 C38 F22B -40.4(9) . . . . ?
C37 C36 C38 F22B 79.3(9) . . . . ?
O3 C36 C38 F22A 177.4(9) . . . . ?
C39 C36 C38 F22A -63.4(10) . . . . ?
C37 C36 C38 F22A 56.3(10) . . . . ?
O3 C36 C38 F24A -70.4(10) . . . . ?
C39 C36 C38 F24A 48.7(10) . . . . ?
C37 C36 C38 F24A 168.4(10) . . . . ?
O3 C36 C38 F23B 83.8(6) . . . . ?
C39 C36 C38 F23B -157.0(5) . . . . ?
C37 C36 C38 F23B -37.3(6) . . . . ?
O3 C36 C39 F26A -41.1(8) . . . . ?
C38 C36 C39 F26A -162.7(8) . . . . ?
C37 C36 C39 F26A 77.8(8) . . . . ?
O3 C36 C39 F25B 162.0(12) . . . . ?
C38 C36 C39 F25B 40.4(12) . . . . ?
C37 C36 C39 F25B -79.1(12) . . . . ?
O3 C36 C39 F25A -165.8(8) . . . . ?
C38 C36 C39 F25A 72.6(9) . . . . ?
C37 C36 C39 F25A -46.9(9) . . . . ?
O3 C36 C39 F27B 34.0(12) . . . . ?
C38 C36 C39 F27B -87.6(12) . . . . ?
C37 C36 C39 F27B 152.9(12) . . . . ?
O3 C36 C39 F27A 77.4(7) . . . . ?
C38 C36 C39 F27A -44.2(8) . . . . ?
C37 C36 C39 F27A -163.7(7) . . . . ?
O3 C36 C39 F26B -79.8(12) . . . . ?
C38 C36 C39 F26B 158.6(12) . . . . ?
C37 C36 C39 F26B 39.1(13) . . . . ?
Al1 O4 C40 C43B 33.6(9) . . . . ?
Al1 O4 C40 C42A 178.8(6) . . . . ?
Al1 O4 C40 C41A -58.5(8) . . . . ?
Al1 O4 C40 C42B 156.9(7) . . . . ?
Al1 O4 C40 C41B -90.2(8) . . . . ?
Al1 O4 C40 C43A 60.6(7) . . . . ?
O4 C40 C41A F30A 79.4(6) . . . . ?
C42A C40 C41A F30A -159.9(5) . . . . ?
C43A C40 C41A F30A -40.9(6) . . . . ?
O4 C40 C41A F29A -42.3(7) . . . . ?
C42A C40 C41A F29A 78.4(7) . . . . ?
C43A C40 C41A F29A -162.5(6) . . . . ?
O4 C40 C41A F28A -159.8(6) . . . . ?
C42A C40 C41A F28A -39.1(7) . . . . ?
C43A C40 C41A F28A 80.0(7) . . . . ?
O4 C40 C42A F33A 75.2(6) . . . . ?
C41A C40 C42A F33A -47.6(7) . . . . ?
C43A C40 C42A F33A -166.1(5) . . . . ?
O4 C40 C42A F31A -165.8(6) . . . . ?
C41A C40 C42A F31A 71.4(8) . . . . ?
C43A C40 C42A F31A -47.1(8) . . . . ?
O4 C40 C42A F32A -45.1(7) . . . . ?
C41A C40 C42A F32A -168.0(6) . . . . ?
C43A C40 C42A F32A 73.6(7) . . . . ?
O4 C40 C43A F34A -45.6(6) . . . . ?
C42A C40 C43A F34A -163.3(6) . . . . ?
C41A C40 C43A F34A 75.9(6) . . . . ?
O4 C40 C43A F36A 74.3(6) . . . . ?
C42A C40 C43A F36A -43.4(7) . . . . ?
C41A C40 C43A F36A -164.2(5) . . . . ?
O4 C40 C43A F35A -166.4(6) . . . . ?
C42A C40 C43A F35A 75.9(7) . . . . ?
C41A C40 C43A F35A -44.9(7) . . . . ?
O4 C40 C41B F29B 49.0(14) . . . . ?
C43B C40 C41B F29B -77.2(14) . . . . ?
C42B C40 C41B F29B 162.2(14) . . . . ?
O4 C40 C41B F30B 169.2(14) . . . . ?
C43B C40 C41B F30B 43.1(15) . . . . ?
C42B C40 C41B F30B -77.5(15) . . . . ?
O4 C40 C41B F28B -70.7(13) . . . . ?
C43B C40 C41B F28B 163.1(13) . . . . ?
C42B C40 C41B F28B 42.5(13) . . . . ?
O4 C40 C42B F32B -80.7(11) . . . . ?
C43B C40 C42B F32B 44.7(13) . . . . ?
C41B C40 C42B F32B 165.0(12) . . . . ?
O4 C40 C42B F31B 159.1(13) . . . . ?
C43B C40 C42B F31B -75.5(15) . . . . ?
C41B C40 C42B F31B 44.8(14) . . . . ?
O4 C40 C42B F33B 39.3(12) . . . . ?
C43B C40 C42B F33B 164.7(12) . . . . ?
C41B C40 C42B F33B -75.0(12) . . . . ?
O4 C40 C43B F35B 43.7(14) . . . . ?
C42B C40 C43B F35B -76.9(14) . . . . ?
C41B C40 C43B F35B 165.9(14) . . . . ?
O4 C40 C43B F34B -76.4(13) . . . . ?
C42B C40 C43B F34B 163.1(13) . . . . ?
C41B C40 C43B F34B 45.8(15) . . . . ?
O4 C40 C43B F36B 164.2(14) . . . . ?
C42B C40 C43B F36B 43.7(15) . . . . ?
C41B C40 C43B F36B -73.6(16) . . . . ?

_refine_diff_density_max         1.933
_refine_diff_density_min         -1.183
_refine_diff_density_rms         0.123

####################################################################### 
# 
# 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_l0753a
_database_code_depnum_ccdc_archive 'CCDC 1440356'
_audit_update_record             
;
2015-12-03 deposited with the CCDC.
2016-01-04 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         'C78 H97 Au2 N4 P4, C16 Al F36 O4'
_chemical_formula_sum            'C94 H97 Al Au2 F36 N4 O4 P4'
_chemical_formula_weight         2575.54

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'
Al Al 0.0645 0.0514 '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'
O O 0.0106 0.0060 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   39.9091(8)
_cell_length_b                   25.1072(6)
_cell_length_c                   22.5843(4)
_cell_angle_alpha                90
_cell_angle_beta                 100.380(1)
_cell_angle_gamma                90
_cell_volume                     22259.3(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    162734
_cell_measurement_theta_min      1.50
_cell_measurement_theta_max      27.50

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.537
_exptl_crystal_F_000             10208
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.21
_exptl_absorpt_coefficient_mu    2.806
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3572
_exptl_absorpt_correction_T_max  0.4305
_exptl_absorpt_process_details   SADABS-2014/4
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker Kappa ApexII'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            195550
_diffrn_reflns_av_unetI/netI     0.0139
_diffrn_reflns_av_R_equivalents  0.0225
_diffrn_reflns_limit_h_min       -51
_diffrn_reflns_limit_h_max       51
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.622
_diffrn_reflns_theta_max         27.495
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             25563
_reflns_number_gt                22676
_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       Apex2
_computing_cell_refinement       Peakref
_computing_data_reduction        'Eval15, SADABS-2014/4'
_computing_structure_solution    SHELXT
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0354P)²+69.3449P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         25563
_refine_ls_number_parameters     1622
_refine_ls_number_restraints     5625
_refine_ls_R_factor_all          0.0323
_refine_ls_R_factor_gt           0.0272
_refine_ls_wR_factor_ref         0.0719
_refine_ls_wR_factor_gt          0.0690
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.625
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.001

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 0.15109(2) 0.19363(2) 0.52216(2) 0.02504(3) Uani 1 1 d . . . . .
Au2 Au 0.13907(2) 0.34950(2) 0.57070(2) 0.02382(3) Uani 1 1 d . . . . .
P1 P 0.11440(2) 0.36029(3) 0.40839(3) 0.03259(16) Uani 1 1 d . . . . .
P2 P 0.15080(2) 0.29343(3) 0.41079(3) 0.03191(15) Uani 1 1 d . . . . .
P3 P 0.09897(2) 0.27769(3) 0.42685(3) 0.03363(16) Uani 1 1 d . . . . .
P4 P 0.14207(2) 0.28266(3) 0.50312(3) 0.02523(13) Uani 1 1 d . . . . .
N11 N 0.14545(6) 0.07434(9) 0.55552(11) 0.0316(5) Uani 1 1 d . . . . .
N21 N 0.17577(6) 0.08864(9) 0.48784(10) 0.0281(5) Uani 1 1 d . . . . .
C11 C 0.15751(7) 0.11318(10) 0.52473(11) 0.0259(5) Uani 1 1 d . . . . .
C21 C 0.15601(8) 0.02501(11) 0.53802(14) 0.0372(7) Uani 1 1 d . . . . .
H21 H 0.1508 -0.0087 0.5531 0.045 Uiso 1 1 calc R U . . .
C31 C 0.17501(8) 0.03394(11) 0.49575(14) 0.0344(6) Uani 1 1 d . . . . .
H31 H 0.1858 0.0079 0.4752 0.041 Uiso 1 1 calc R U . . .
C41 C 0.12454(9) 0.08265(12) 0.60098(14) 0.0401(7) Uani 1 1 d . . . . .
C51 C 0.08947(10) 0.08534(16) 0.58282(17) 0.0509(9) Uani 1 1 d . . . . .
C61 C 0.07019(12) 0.0936(2) 0.6285(2) 0.0683(12) Uani 1 1 d . . . . .
H61 H 0.0461 0.0965 0.6181 0.082 Uiso 1 1 calc R U . . .
C71 C 0.08550(14) 0.0973(2) 0.6872(2) 0.0748(14) Uani 1 1 d . . . . .
H71 H 0.0719 0.1018 0.7173 0.090 Uiso 1 1 calc R U . . .
C81 C 0.12012(13) 0.09462(18) 0.70358(18) 0.0654(12) Uani 1 1 d . . . . .
H81 H 0.1302 0.0980 0.7449 0.079 Uiso 1 1 calc R U . . .
C91 C 0.14118(10) 0.08690(13) 0.66072(15) 0.0471(8) Uani 1 1 d . . . . .
C101 C 0.07183(10) 0.0821(2) 0.51794(19) 0.0621(11) Uani 1 1 d . . . . .
H101 H 0.0887 0.0682 0.4939 0.074 Uiso 1 1 calc R U . . .
C111 C 0.06088(14) 0.1373(2) 0.4940(3) 0.0890(17) Uani 1 1 d . . . . .
H11A H 0.0435 0.1512 0.5155 0.134 Uiso 1 1 calc R U . . .
H11B H 0.0515 0.1350 0.4509 0.134 Uiso 1 1 calc R U . . .
H11C H 0.0806 0.1612 0.5003 0.134 Uiso 1 1 calc R U . . .
C121 C 0.04133(12) 0.0446(2) 0.5081(3) 0.0805(15) Uani 1 1 d . . . . .
H12A H 0.0481 0.0100 0.5266 0.121 Uiso 1 1 calc R U . . .
H12B H 0.0332 0.0399 0.4649 0.121 Uiso 1 1 calc R U . . .
H12C H 0.0231 0.0598 0.5267 0.121 Uiso 1 1 calc R U . . .
C131 C 0.17938(11) 0.08595(15) 0.67837(15) 0.0507(9) Uani 1 1 d . . . . .
H131 H 0.1889 0.0764 0.6417 0.061 Uiso 1 1 calc R U . . .
C141 C 0.19282(13) 0.14125(18) 0.6987(2) 0.0688(12) Uani 1 1 d . . . . .
H14A H 0.1852 0.1671 0.6665 0.103 Uiso 1 1 calc R U . . .
H14B H 0.2178 0.1405 0.7077 0.103 Uiso 1 1 calc R U . . .
H14C H 0.1841 0.1517 0.7348 0.103 Uiso 1 1 calc R U . . .
C151 C 0.19167(15) 0.0435(2) 0.7265(2) 0.0814(15) Uani 1 1 d . . . . .
H15A H 0.1831 0.0521 0.7634 0.122 Uiso 1 1 calc R U . . .
H15B H 0.2166 0.0430 0.7351 0.122 Uiso 1 1 calc R U . . .
H15C H 0.1831 0.0085 0.7117 0.122 Uiso 1 1 calc R U . . .
C161 C 0.18851(7) 0.11791(10) 0.44131(12) 0.0294(6) Uani 1 1 d . . . . .
C171 C 0.16613(8) 0.12448(12) 0.38664(13) 0.0345(6) Uani 1 1 d . . . . .
C181 C 0.17630(9) 0.15969(13) 0.34536(14) 0.0424(7) Uani 1 1 d . . . . .
H181 H 0.1618 0.1657 0.3077 0.051 Uiso 1 1 calc R U . . .
C191 C 0.20701(10) 0.18581(13) 0.35840(15) 0.0451(8) Uani 1 1 d . . . . .
H191 H 0.2131 0.2106 0.3303 0.054 Uiso 1 1 calc R U . . .
C201 C 0.22922(9) 0.17645(12) 0.41187(15) 0.0405(7) Uani 1 1 d . . . . .
H201 H 0.2508 0.1937 0.4193 0.049 Uiso 1 1 calc R U . . .
C211 C 0.22036(8) 0.14187(11) 0.45506(13) 0.0330(6) Uani 1 1 d . . . . .
C221 C 0.13253(8) 0.09451(14) 0.37191(14) 0.0408(7) Uani 1 1 d . . . . .
H221 H 0.1270 0.0805 0.4105 0.049 Uiso 1 1 calc R U . . .
C231 C 0.10321(11) 0.13036(18) 0.3430(2) 0.0677(12) Uani 1 1 d . . . . .
H23A H 0.1019 0.1613 0.3689 0.102 Uiso 1 1 calc R U . . .
H23B H 0.0818 0.1104 0.3380 0.102 Uiso 1 1 calc R U . . .
H23C H 0.1072 0.1424 0.3035 0.102 Uiso 1 1 calc R U . . .
C241 C 0.13608(11) 0.04707(15) 0.33128(19) 0.0569(10) Uani 1 1 d . . . . .
H24A H 0.1405 0.0599 0.2924 0.085 Uiso 1 1 calc R U . . .
H24B H 0.1150 0.0263 0.3249 0.085 Uiso 1 1 calc R U . . .
H24C H 0.1551 0.0246 0.3504 0.085 Uiso 1 1 calc R U . . .
C251 C 0.24496(8) 0.13172(12) 0.51338(14) 0.0372(6) Uani 1 1 d . . . . .
H251 H 0.2342 0.1051 0.5371 0.045 Uiso 1 1 calc R U . . .
C261 C 0.25166(10) 0.18267(15) 0.55140(17) 0.0505(9) Uani 1 1 d . . . . .
H26A H 0.2629 0.2091 0.5297 0.076 Uiso 1 1 calc R U . . .
H26B H 0.2664 0.1743 0.5899 0.076 Uiso 1 1 calc R U . . .
H26C H 0.2300 0.1971 0.5589 0.076 Uiso 1 1 calc R U . . .
C271 C 0.27816(9) 0.10791(16) 0.50123(19) 0.0537(9) Uani 1 1 d . . . . .
H27A H 0.2734 0.0743 0.4792 0.080 Uiso 1 1 calc R U . . .
H27B H 0.2935 0.1012 0.5395 0.080 Uiso 1 1 calc R U . . .
H27C H 0.2890 0.1329 0.4771 0.080 Uiso 1 1 calc R U . . .
N12 N 0.10223(6) 0.39992(9) 0.66083(11) 0.0298(5) Uani 1 1 d . . . . .
N22 N 0.15460(5) 0.42324(8) 0.68187(10) 0.0245(4) Uani 1 1 d . . . . .
C12 C 0.13218(7) 0.39585(10) 0.64106(12) 0.0252(5) Uani 1 1 d . . . . .
C22 C 0.10603(7) 0.42988(12) 0.71325(13) 0.0349(6) Uani 1 1 d . . . . .
H22 H 0.0887 0.4386 0.7354 0.042 Uiso 1 1 calc R U . . .
C32 C 0.13893(7) 0.44420(11) 0.72660(13) 0.0321(6) Uani 1 1 d . . . . .
H32 H 0.1494 0.4647 0.7602 0.039 Uiso 1 1 calc R U . . .
C42 C 0.07038(7) 0.37982(13) 0.62758(14) 0.0363(6) Uani 1 1 d . . . . .
C52 C 0.05174(8) 0.41392(15) 0.58507(17) 0.0472(8) Uani 1 1 d . . . . .
C62 C 0.02130(10) 0.3934(2) 0.5522(2) 0.0679(12) Uani 1 1 d . . . . .
H62 H 0.0077 0.4150 0.5227 0.081 Uiso 1 1 calc R U . . .
C72 C 0.01088(11) 0.3426(2) 0.5619(2) 0.0723(13) Uani 1 1 d . . . . .
H72 H -0.0098 0.3296 0.5390 0.087 Uiso 1 1 calc R U . . .
C82 C 0.02988(11) 0.31032(18) 0.6040(2) 0.0624(11) Uani 1 1 d . . . . .
H82 H 0.0221 0.2753 0.6098 0.075 Uiso 1 1 calc R U . . .
C92 C 0.06044(9) 0.32801(15) 0.63850(17) 0.0481(8) Uani 1 1 d . . . . .
C102 C 0.06382(10) 0.46962(15) 0.57297(18) 0.0547(10) Uani 1 1 d . . . . .
H102 H 0.0852 0.4768 0.6024 0.066 Uiso 1 1 calc R U . . .
C112 C 0.03763(14) 0.5113(2) 0.5827(3) 0.0858(17) Uani 1 1 d . . . . .
H11D H 0.0159 0.5036 0.5562 0.129 Uiso 1 1 calc R U . . .
H11E H 0.0456 0.5467 0.5732 0.129 Uiso 1 1 calc R U . . .
H11F H 0.0345 0.5104 0.6247 0.129 Uiso 1 1 calc R U . . .
C122 C 0.07207(14) 0.47382(18) 0.5102(2) 0.0757(13) Uani 1 1 d . . . . .
H12D H 0.0886 0.4462 0.5047 0.114 Uiso 1 1 calc R U . . .
H12E H 0.0817 0.5090 0.5049 0.114 Uiso 1 1 calc R U . . .
H12F H 0.0512 0.4689 0.4804 0.114 Uiso 1 1 calc R U . . .
C132 C 0.08111(12) 0.29171(17) 0.6851(2) 0.0671(12) Uani 1 1 d . . . . .
H132 H 0.1002 0.3131 0.7084 0.081 Uiso 1 1 calc R U . . .
C142 C 0.05955(18) 0.2703(3) 0.7294(2) 0.104(2) Uani 1 1 d . . . . .
H14D H 0.0411 0.2481 0.7078 0.157 Uiso 1 1 calc R U . . .
H14E H 0.0498 0.3002 0.7485 0.157 Uiso 1 1 calc R U . . .
H14F H 0.0739 0.2489 0.7604 0.157 Uiso 1 1 calc R U . . .
C152 C 0.09641(18) 0.2457(2) 0.6558(3) 0.109(2) Uani 1 1 d . . . . .
H15D H 0.0782 0.2217 0.6370 0.163 Uiso 1 1 calc R U . . .
H15E H 0.1123 0.2262 0.6864 0.163 Uiso 1 1 calc R U . . .
H15F H 0.1087 0.2594 0.6251 0.163 Uiso 1 1 calc R U . . .
C162 C 0.19049(7) 0.42851(10) 0.68078(12) 0.0250(5) Uani 1 1 d . . . . .
C172 C 0.20143(8) 0.47212(11) 0.65090(13) 0.0318(6) Uani 1 1 d . . . . .
C182 C 0.23630(8) 0.47658(12) 0.65188(15) 0.0391(7) Uani 1 1 d . . . . .
H182 H 0.2447 0.5055 0.6317 0.047 Uiso 1 1 calc R U . . .
C192 C 0.25868(8) 0.43977(13) 0.68164(15) 0.0410(7) Uani 1 1 d . . . . .
H192 H 0.2824 0.4436 0.6817 0.049 Uiso 1 1 calc R U . . .
C202 C 0.24720(7) 0.39726(13) 0.71147(14) 0.0362(6) Uani 1 1 d . . . . .
H202 H 0.2631 0.3725 0.7322 0.043 Uiso 1 1 calc R U . . .
C212 C 0.21262(7) 0.39048(11) 0.71138(12) 0.0295(5) Uani 1 1 d . . . . .
C222 C 0.17658(9) 0.51302(12) 0.61832(15) 0.0398(7) Uani 1 1 d . . . . .
H222 H 0.1542 0.5078 0.6316 0.048 Uiso 1 1 calc R U . . .
C232 C 0.18861(12) 0.56997(14) 0.6349(2) 0.0614(11) Uani 1 1 d . . . . .
H23D H 0.1932 0.5739 0.6788 0.092 Uiso 1 1 calc R U . . .
H23E H 0.1708 0.5952 0.6174 0.092 Uiso 1 1 calc R U . . .
H23F H 0.2094 0.5772 0.6190 0.092 Uiso 1 1 calc R U . . .
C242 C 0.17096(12) 0.50469(15) 0.55046(17) 0.0589(10) Uani 1 1 d . . . . .
H24D H 0.1921 0.5127 0.5358 0.088 Uiso 1 1 calc R U . . .
H24E H 0.1528 0.5284 0.5309 0.088 Uiso 1 1 calc R U . . .
H24F H 0.1644 0.4676 0.5411 0.088 Uiso 1 1 calc R U . . .
C252 C 0.19999(8) 0.34356(12) 0.74388(15) 0.0379(7) Uani 1 1 d . . . . .
H252 H 0.1745 0.3449 0.7361 0.045 Uiso 1 1 calc R U . . .
C262 C 0.21205(14) 0.34734(19) 0.81133(18) 0.0688(12) Uani 1 1 d . . . . .
H26D H 0.2029 0.3173 0.8311 0.103 Uiso 1 1 calc R U . . .
H26E H 0.2040 0.3808 0.8262 0.103 Uiso 1 1 calc R U . . .
H26F H 0.2370 0.3463 0.8203 0.103 Uiso 1 1 calc R U . . .
C272 C 0.21047(15) 0.29089(15) 0.7199(2) 0.0744(14) Uani 1 1 d . . . . .
H27D H 0.2354 0.2879 0.7282 0.112 Uiso 1 1 calc R U . . .
H27E H 0.2023 0.2892 0.6763 0.112 Uiso 1 1 calc R U . . .
H27F H 0.2006 0.2616 0.7396 0.112 Uiso 1 1 calc R U . . .
C13 C 0.09944(9) 0.36856(12) 0.32581(15) 0.0429(8) Uani 1 1 d . . . . .
C23 C 0.06811(10) 0.34887(14) 0.29434(17) 0.0509(9) Uani 1 1 d . . . . .
C33 C 0.05865(14) 0.36113(18) 0.2334(2) 0.0802(16) Uani 1 1 d . . . . .
H33 H 0.0375 0.3483 0.2120 0.096 Uiso 1 1 calc R U . . .
C43 C 0.07883(17) 0.3910(2) 0.2035(2) 0.109(3) Uani 1 1 d . . . . .
H43 H 0.0717 0.3985 0.1619 0.130 Uiso 1 1 calc R U . . .
C53 C 0.10961(16) 0.41017(19) 0.2336(2) 0.091(2) Uani 1 1 d . . . . .
H53 H 0.1237 0.4305 0.2125 0.109 Uiso 1 1 calc R U . . .
C63 C 0.12013(11) 0.39984(14) 0.29503(16) 0.0549(10) Uani 1 1 d . . . . .
C7A C 0.0442(2) 0.3104(4) 0.3257(4) 0.033(2) Uani 0.501(18) 1 d D U P A 1
C8A C 0.0442(2) 0.2568(4) 0.3063(4) 0.039(3) Uani 0.501(18) 1 d D U P A 1
C9A C 0.0244(2) 0.2191(4) 0.3293(4) 0.042(2) Uani 0.501(18) 1 d D U P A 1
H9A H 0.0245 0.1833 0.3158 0.050 Uiso 0.501(18) 1 calc R U P A 1
C10A C 0.00445(19) 0.2323(6) 0.3713(4) 0.053(2) Uani 0.501(18) 1 d D U P A 1
C11A C 0.0045(2) 0.2851(7) 0.3901(3) 0.055(3) Uani 0.501(18) 1 d D U P A 1
H11G H -0.0092 0.2949 0.4188 0.066 Uiso 0.501(18) 1 calc R U P A 1
C12A C 0.0238(2) 0.3240(5) 0.3683(4) 0.051(3) Uani 0.501(18) 1 d D U P A 1
C13A C 0.0655(3) 0.2405(5) 0.2607(5) 0.033(3) Uani 0.501(18) 1 d D U P A 1
H13A H 0.0778 0.2716 0.2493 0.049 Uiso 0.501(18) 1 calc R U P A 1
H13B H 0.0819 0.2132 0.2782 0.049 Uiso 0.501(18) 1 calc R U P A 1
H13C H 0.0507 0.2261 0.2249 0.049 Uiso 0.501(18) 1 calc R U P A 1
C14A C -0.0168(2) 0.1905(7) 0.3956(6) 0.080(4) Uani 0.501(18) 1 d D U P A 1
H14G H -0.0292 0.2069 0.4247 0.120 Uiso 0.501(18) 1 calc R U P A 1
H14H H -0.0331 0.1752 0.3624 0.120 Uiso 0.501(18) 1 calc R U P A 1
H14I H -0.0019 0.1623 0.4155 0.120 Uiso 0.501(18) 1 calc R U P A 1
C15A C 0.0221(3) 0.3794(6) 0.3902(6) 0.078(4) Uani 0.501(18) 1 d D U P A 1
H15G H 0.0369 0.4023 0.3711 0.117 Uiso 0.501(18) 1 calc R U P A 1
H15H H -0.0015 0.3923 0.3801 0.117 Uiso 0.501(18) 1 calc R U P A 1
H15I H 0.0296 0.3802 0.4340 0.117 Uiso 0.501(18) 1 calc R U P A 1
C7B C 0.0449(2) 0.3186(4) 0.3156(4) 0.049(3) Uani 0.499(18) 1 d D U P A 2
C8B C 0.0407(2) 0.2631(4) 0.3071(4) 0.042(3) Uani 0.499(18) 1 d D U P A 2
C9B C 0.0201(2) 0.2346(5) 0.3392(4) 0.053(3) Uani 0.499(18) 1 d D U P A 2
H9B H 0.0175 0.1973 0.3328 0.064 Uiso 0.499(18) 1 calc R U P A 2
C10B C 0.0031(2) 0.2589(7) 0.3803(4) 0.059(3) Uani 0.499(18) 1 d D U P A 2
C11B C 0.0075(2) 0.3135(7) 0.3881(4) 0.060(3) Uani 0.499(18) 1 d D U P A 2
H11H H -0.0039 0.3310 0.4159 0.073 Uiso 0.499(18) 1 calc R U P A 2
C12B C 0.0278(2) 0.3436(5) 0.3572(4) 0.051(2) Uani 0.499(18) 1 d D U P A 2
C13B C 0.0584(3) 0.2335(5) 0.2635(5) 0.041(3) Uani 0.499(18) 1 d D U P A 2
H13D H 0.0720 0.2586 0.2443 0.061 Uiso 0.499(18) 1 calc R U P A 2
H13E H 0.0734 0.2062 0.2851 0.061 Uiso 0.499(18) 1 calc R U P A 2
H13F H 0.0414 0.2166 0.2326 0.061 Uiso 0.499(18) 1 calc R U P A 2
C14B C -0.0188(2) 0.2259(9) 0.4137(5) 0.091(5) Uani 0.499(18) 1 d D U P A 2
H14J H -0.0290 0.2488 0.4408 0.136 Uiso 0.499(18) 1 calc R U P A 2
H14K H -0.0370 0.2089 0.3848 0.136 Uiso 0.499(18) 1 calc R U P A 2
H14L H -0.0049 0.1984 0.4372 0.136 Uiso 0.499(18) 1 calc R U P A 2
C15B C 0.0301(3) 0.4019(5) 0.3686(6) 0.068(3) Uani 0.499(18) 1 d D U P A 2
H15J H 0.0452 0.4180 0.3439 0.101 Uiso 0.499(18) 1 calc R U P A 2
H15K H 0.0074 0.4177 0.3581 0.101 Uiso 0.499(18) 1 calc R U P A 2
H15L H 0.0392 0.4084 0.4113 0.101 Uiso 0.499(18) 1 calc R U P A 2
C163 C 0.15333(10) 0.42439(13) 0.32424(14) 0.0478(9) Uani 1 1 d . . . . .
C173 C 0.18432(12) 0.40310(14) 0.31368(16) 0.0521(9) Uani 1 1 d . . . . .
C183 C 0.21416(12) 0.43073(15) 0.33482(19) 0.0574(10) Uani 1 1 d . . . . .
H183 H 0.2351 0.4166 0.3277 0.069 Uiso 1 1 calc R U . . .
C193 C 0.21441(11) 0.47809(15) 0.36585(19) 0.0561(10) Uani 1 1 d . . . . .
C203 C 0.18386(11) 0.49764(13) 0.37705(16) 0.0508(9) Uani 1 1 d . . . . .
H203 H 0.1839 0.5298 0.3992 0.061 Uiso 1 1 calc R U . . .
C213 C 0.15309(10) 0.47202(12) 0.35703(15) 0.0460(8) Uani 1 1 d . . . . .
C223 C 0.18568(14) 0.35129(15) 0.27991(19) 0.0669(13) Uani 1 1 d . . . . .
H22A H 0.1626 0.3370 0.2682 0.100 Uiso 1 1 calc R U . . .
H22B H 0.1955 0.3577 0.2438 0.100 Uiso 1 1 calc R U . . .
H22C H 0.1998 0.3256 0.3059 0.100 Uiso 1 1 calc R U . . .
C233 C 0.24711(13) 0.50792(19) 0.3872(3) 0.0848(16) Uani 1 1 d . . . . .
H23G H 0.2661 0.4884 0.3754 0.127 Uiso 1 1 calc R U . . .
H23H H 0.2456 0.5434 0.3689 0.127 Uiso 1 1 calc R U . . .
H23I H 0.2509 0.5113 0.4311 0.127 Uiso 1 1 calc R U . . .
C243 C 0.12058(11) 0.49621(15) 0.3690(2) 0.0626(11) Uani 1 1 d . . . . .
H24G H 0.1014 0.4733 0.3521 0.094 Uiso 1 1 calc R U . . .
H24H H 0.1217 0.4996 0.4126 0.094 Uiso 1 1 calc R U . . .
H24I H 0.1175 0.5315 0.3503 0.094 Uiso 1 1 calc R U . . .
Al4 Al 0.36291(2) 0.30395(4) 0.01766(4) 0.03319(19) Uani 1 1 d D U . . .
O14 O 0.37530(7) 0.23930(10) 0.02665(18) 0.0806(10) Uani 1 1 d D U . . .
O24 O 0.32723(6) 0.31399(9) 0.04787(13) 0.0507(6) Uani 1 1 d D U . . .
O34 O 0.39501(7) 0.34299(11) 0.05196(19) 0.0832(11) Uani 1 1 d D U . . .
O44 O 0.35377(13) 0.3193(2) -0.05588(13) 0.1337(19) Uani 1 1 d D U . . .
C14 C 0.37043(8) 0.18874(12) 0.04357(17) 0.0605(10) Uani 1 1 d D U . . .
C24 C 0.39281(10) 0.15251(15) 0.0116(2) 0.0849(15) Uani 1 1 d D U . . .
F14 F 0.37935(8) 0.14601(12) -0.04641(16) 0.0946(10) Uani 1 1 d D U . . .
F24 F 0.39655(8) 0.10366(10) 0.03589(18) 0.1065(12) Uani 1 1 d D U . . .
F34 F 0.42356(6) 0.17271(12) 0.0126(2) 0.1327(17) Uani 1 1 d D U . . .
C34 C 0.33289(8) 0.17220(12) 0.02537(16) 0.0505(8) Uani 1 1 d D U . . .
F44 F 0.31386(6) 0.19287(9) 0.06193(11) 0.0607(6) Uani 1 1 d D U . . .
F54 F 0.32865(7) 0.11949(8) 0.02506(13) 0.0726(7) Uani 1 1 d D U . . .
F64 F 0.32015(6) 0.18991(11) -0.02919(11) 0.0700(7) Uani 1 1 d D U . . .
C44 C 0.38114(12) 0.18249(17) 0.1123(2) 0.0998(17) Uani 1 1 d D U . . .
F74 F 0.41493(9) 0.18140(16) 0.1282(2) 0.1513(19) Uani 1 1 d D U . . .
F84 F 0.36957(10) 0.22293(13) 0.14066(16) 0.1213(14) Uani 1 1 d D U . . .
F94 F 0.36928(11) 0.13769(13) 0.13317(15) 0.1214(14) Uani 1 1 d D U . . .
C54 C 0.30316(7) 0.34519(10) 0.06420(12) 0.0350(6) Uani 1 1 d D U . . .
C64 C 0.31874(11) 0.39884(15) 0.0895(2) 0.0534(11) Uani 0.808(3) 1 d D U P B 3
F104 F 0.33921(8) 0.41873(10) 0.05458(19) 0.0728(11) Uani 0.808(3) 1 d D U P B
3
F114 F 0.29492(9) 0.43572(10) 0.0925(2) 0.0855(13) Uani 0.808(3) 1 d D U P B 3
F124 F 0.33748(11) 0.39335(16) 0.14424(16) 0.0924(12) Uani 0.808(3) 1 d D U P B
3
C74 C 0.27517(11) 0.3552(2) 0.0104(2) 0.0783(17) Uani 0.808(3) 1 d D U P B 3
F134 F 0.24714(9) 0.3736(2) 0.0273(2) 0.1236(18) Uani 0.808(3) 1 d D U P B 3
F144 F 0.28624(13) 0.3911(2) -0.02589(18) 0.1132(17) Uani 0.808(3) 1 d D U P B
3
F154 F 0.26768(11) 0.3098(2) -0.0193(2) 0.1222(18) Uani 0.808(3) 1 d D U P B 3
C84 C 0.28846(13) 0.31687(17) 0.1149(2) 0.0634(13) Uani 0.808(3) 1 d D U P B 3
F164 F 0.27066(12) 0.35042(13) 0.14329(18) 0.0940(14) Uani 0.808(3) 1 d D U P B
3
F174 F 0.26817(11) 0.27703(14) 0.0918(2) 0.0915(14) Uani 0.808(3) 1 d D U P B 3
F184 F 0.31308(14) 0.29669(16) 0.15618(17) 0.1039(15) Uani 0.808(3) 1 d D U P B
3
C65 C 0.3193(2) 0.3794(4) 0.1180(4) 0.064(4) Uani 0.192(3) 1 d D U P B 4
F105 F 0.3358(3) 0.4195(4) 0.0974(6) 0.067(3) Uani 0.192(3) 1 d D U P B 4
F115 F 0.2961(3) 0.3990(6) 0.1472(5) 0.088(5) Uani 0.192(3) 1 d D U P B 4
F125 F 0.3413(3) 0.3480(5) 0.1532(4) 0.080(4) Uani 0.192(3) 1 d D U P B 4
C75 C 0.2855(2) 0.3842(3) 0.0148(3) 0.053(3) Uani 0.192(3) 1 d D U P B 4
F135 F 0.2695(3) 0.4250(4) 0.0375(5) 0.069(4) Uani 0.192(3) 1 d D U P B 4
F145 F 0.2620(3) 0.3616(5) -0.0279(5) 0.064(3) Uani 0.192(3) 1 d D U P B 4
F155 F 0.3086(3) 0.4075(4) -0.0132(6) 0.068(4) Uani 0.192(3) 1 d D U P B 4
C85 C 0.2741(2) 0.3111(3) 0.0814(5) 0.055(3) Uani 0.192(3) 1 d D U P B 4
F165 F 0.2870(4) 0.2838(5) 0.1309(6) 0.071(4) Uani 0.192(3) 1 d D U P B 4
F175 F 0.2480(3) 0.3408(4) 0.0921(8) 0.082(4) Uani 0.192(3) 1 d D U P B 4
F185 F 0.2617(3) 0.2769(4) 0.0376(7) 0.071(4) Uani 0.192(3) 1 d D U P B 4
C94 C 0.42610(8) 0.35763(12) 0.07840(16) 0.0518(8) Uani 1 1 d D U . . .
C104 C 0.42447(15) 0.3716(2) 0.1438(2) 0.124(2) Uani 1 1 d D U . . .
F194 F 0.41037(9) 0.42212(14) 0.14475(16) 0.1099(12) Uani 1 1 d D U . . .
F204 F 0.40668(13) 0.33391(17) 0.1670(2) 0.1521(19) Uani 1 1 d D U . . .
F214 F 0.45585(13) 0.3684(2) 0.17779(18) 0.1614(19) Uani 1 1 d D U . . .
C114 C 0.45282(11) 0.31199(19) 0.0781(2) 0.0901(15) Uani 1 1 d D U . . .
F224 F 0.44783(8) 0.28862(14) 0.02498(15) 0.0992(10) Uani 1 1 d D U . . .
F234 F 0.44909(10) 0.27695(14) 0.12230(19) 0.1217(13) Uani 1 1 d D U . . .
F244 F 0.48462(7) 0.33261(17) 0.0856(2) 0.1294(15) Uani 1 1 d D U . . .
C124 C 0.43780(13) 0.40625(19) 0.0469(2) 0.114(2) Uani 1 1 d D U . . .
F254 F 0.41149(9) 0.44133(13) 0.0353(2) 0.1263(15) Uani 1 1 d D U . . .
F264 F 0.46156(10) 0.43425(15) 0.0862(2) 0.1441(17) Uani 1 1 d D U . . .
F274 F 0.44884(12) 0.38959(18) -0.00305(18) 0.1418(17) Uani 1 1 d D U . . .
C134 C 0.35124(9) 0.31834(15) -0.11546(15) 0.0791(12) Uani 1 1 d D U . . .
C144 C 0.38247(18) 0.3052(3) -0.1406(4) 0.109(3) Uani 0.494(5) 1 d D U P C 5
F284 F 0.3984(2) 0.2631(4) -0.1139(4) 0.098(3) Uani 0.494(5) 1 d D U P C 5
F294 F 0.3722(3) 0.2896(4) -0.1989(3) 0.118(3) Uani 0.494(5) 1 d D U P C 5
F304 F 0.4043(2) 0.3472(4) -0.1436(5) 0.141(3) Uani 0.494(5) 1 d D U P C 5
C154 C 0.33756(18) 0.3734(2) -0.1411(3) 0.076(2) Uani 0.494(5) 1 d D U P C 5
F314 F 0.3398(2) 0.3810(2) -0.1987(2) 0.090(2) Uani 0.494(5) 1 d D U P C 5
F324 F 0.3578(3) 0.4103(4) -0.1101(6) 0.152(5) Uani 0.494(5) 1 d D U P C 5
F334 F 0.30762(19) 0.3890(4) -0.1360(4) 0.114(3) Uani 0.494(5) 1 d D U P C 5
C164 C 0.32099(17) 0.2803(3) -0.1413(3) 0.090(3) Uani 0.494(5) 1 d D U P C 5
F344 F 0.3324(2) 0.2305(3) -0.1360(4) 0.112(3) Uani 0.494(5) 1 d D U P C 5
F354 F 0.3081(3) 0.2884(4) -0.1988(3) 0.128(4) Uani 0.494(5) 1 d D U P C 5
F364 F 0.29951(17) 0.2924(4) -0.1023(3) 0.132(4) Uani 0.494(5) 1 d D U P C 5
C145 C 0.31482(17) 0.3135(4) -0.1484(4) 0.140(4) Uani 0.506(5) 1 d D U P C 6
F285 F 0.3025(2) 0.3622(4) -0.1441(6) 0.174(5) Uani 0.506(5) 1 d D U P C 6
F295 F 0.3158(3) 0.3060(6) -0.2070(3) 0.193(6) Uani 0.506(5) 1 d D U P C 6
F305 F 0.29524(17) 0.2727(3) -0.1344(3) 0.113(3) Uani 0.506(5) 1 d D U P C 6
C155 C 0.37213(19) 0.3671(3) -0.1294(3) 0.105(3) Uani 0.506(5) 1 d D U P C 6
F315 F 0.40443(17) 0.3558(3) -0.1053(4) 0.111(3) Uani 0.506(5) 1 d D U P C 6
F325 F 0.3669(3) 0.3785(4) -0.1878(3) 0.137(3) Uani 0.506(5) 1 d D U P C 6
F335 F 0.3634(4) 0.4104(4) -0.1009(7) 0.231(8) Uani 0.506(5) 1 d D U P C 6
C165 C 0.37109(18) 0.2692(3) -0.1324(3) 0.086(3) Uani 0.506(5) 1 d D U P C 6
F345 F 0.3818(3) 0.2750(4) -0.1842(4) 0.131(4) Uani 0.506(5) 1 d D U P C 6
F355 F 0.3516(2) 0.2254(3) -0.1345(4) 0.127(3) Uani 0.506(5) 1 d D U P C 6
F365 F 0.39791(18) 0.2586(4) -0.0894(3) 0.085(2) Uani 0.506(5) 1 d D U P C 6


_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 C11 2.036(3) . ?
Au1 P4 2.2924(7) . ?
Au2 C12 2.028(3) . ?
Au2 P4 2.2860(7) . ?
P1 C13 1.865(3) . ?
P1 P2 2.2140(10) . ?
P1 P3 2.2240(11) . ?
P2 P4 2.1919(10) . ?
P2 P3 2.1992(11) . ?
P3 P4 2.2077(10) . ?
N11 C11 1.337(3) . ?
N11 C21 1.388(4) . ?
N11 C41 1.450(4) . ?
N21 C11 1.350(3) . ?
N21 C31 1.386(3) . ?
N21 C161 1.448(3) . ?
C21 C31 1.341(4) . ?
C21 H21 0.9500 . ?
C31 H31 0.9500 . ?
C41 C51 1.387(5) . ?
C41 C91 1.396(5) . ?
C51 C61 1.409(5) . ?
C51 C101 1.509(6) . ?
C61 C71 1.360(7) . ?
C61 H61 0.9500 . ?
C71 C81 1.366(7) . ?
C71 H71 0.9500 . ?
C81 C91 1.405(5) . ?
C81 H81 0.9500 . ?
C91 C131 1.505(6) . ?
C101 C121 1.522(6) . ?
C101 C111 1.523(7) . ?
C101 H101 1.0000 . ?
C111 H11A 0.9800 . ?
C111 H11B 0.9800 . ?
C111 H11C 0.9800 . ?
C121 H12A 0.9800 . ?
C121 H12B 0.9800 . ?
C121 H12C 0.9800 . ?
C131 C141 1.529(6) . ?
C131 C151 1.537(5) . ?
C131 H131 1.0000 . ?
C141 H14A 0.9800 . ?
C141 H14B 0.9800 . ?
C141 H14C 0.9800 . ?
C151 H15A 0.9800 . ?
C151 H15B 0.9800 . ?
C151 H15C 0.9800 . ?
C161 C211 1.390(4) . ?
C161 C171 1.397(4) . ?
C171 C181 1.397(4) . ?
C171 C221 1.521(5) . ?
C181 C191 1.374(5) . ?
C181 H181 0.9500 . ?
C191 C201 1.383(5) . ?
C191 H191 0.9500 . ?
C201 C211 1.398(4) . ?
C201 H201 0.9500 . ?
C211 C251 1.516(4) . ?
C221 C241 1.526(5) . ?
C221 C231 1.527(5) . ?
C221 H221 1.0000 . ?
C231 H23A 0.9800 . ?
C231 H23B 0.9800 . ?
C231 H23C 0.9800 . ?
C241 H24A 0.9800 . ?
C241 H24B 0.9800 . ?
C241 H24C 0.9800 . ?
C251 C271 1.523(5) . ?
C251 C261 1.537(4) . ?
C251 H251 1.0000 . ?
C261 H26A 0.9800 . ?
C261 H26B 0.9800 . ?
C261 H26C 0.9800 . ?
C271 H27A 0.9800 . ?
C271 H27B 0.9800 . ?
C271 H27C 0.9800 . ?
N12 C12 1.353(3) . ?
N12 C22 1.388(4) . ?
N12 C42 1.446(4) . ?
N22 C12 1.351(3) . ?
N22 C32 1.384(3) . ?
N22 C162 1.443(3) . ?
C22 C32 1.342(4) . ?
C22 H22 0.9500 . ?
C32 H32 0.9500 . ?
C42 C92 1.395(5) . ?
C42 C52 1.397(5) . ?
C52 C62 1.403(5) . ?
C52 C102 1.520(5) . ?
C62 C72 1.370(7) . ?
C62 H62 0.9500 . ?
C72 C82 1.370(7) . ?
C72 H72 0.9500 . ?
C82 C92 1.396(5) . ?
C82 H82 0.9500 . ?
C92 C132 1.519(6) . ?
C102 C122 1.516(6) . ?
C102 C112 1.522(6) . ?
C102 H102 1.0000 . ?
C112 H11D 0.9800 . ?
C112 H11E 0.9800 . ?
C112 H11F 0.9800 . ?
C122 H12D 0.9800 . ?
C122 H12E 0.9800 . ?
C122 H12F 0.9800 . ?
C132 C152 1.514(8) . ?
C132 C142 1.530(7) . ?
C132 H132 1.0000 . ?
C142 H14D 0.9800 . ?
C142 H14E 0.9800 . ?
C142 H14F 0.9800 . ?
C152 H15D 0.9800 . ?
C152 H15E 0.9800 . ?
C152 H15F 0.9800 . ?
C162 C212 1.396(4) . ?
C162 C172 1.397(4) . ?
C172 C182 1.392(4) . ?
C172 C222 1.522(4) . ?
C182 C192 1.374(5) . ?
C182 H182 0.9500 . ?
C192 C202 1.383(5) . ?
C192 H192 0.9500 . ?
C202 C212 1.390(4) . ?
C202 H202 0.9500 . ?
C212 C252 1.521(4) . ?
C222 C242 1.523(5) . ?
C222 C232 1.533(5) . ?
C222 H222 1.0000 . ?
C232 H23D 0.9800 . ?
C232 H23E 0.9800 . ?
C232 H23F 0.9800 . ?
C242 H24D 0.9800 . ?
C242 H24E 0.9800 . ?
C242 H24F 0.9800 . ?
C252 C262 1.515(5) . ?
C252 C272 1.516(5) . ?
C252 H252 1.0000 . ?
C262 H26D 0.9800 . ?
C262 H26E 0.9800 . ?
C262 H26F 0.9800 . ?
C272 H27D 0.9800 . ?
C272 H27E 0.9800 . ?
C272 H27F 0.9800 . ?
C13 C63 1.410(5) . ?
C13 C23 1.412(5) . ?
C23 C7B 1.351(11) . ?
C23 C33 1.395(6) . ?
C23 C7A 1.610(11) . ?
C33 C43 1.364(8) . ?
C33 H33 0.9500 . ?
C43 C53 1.379(7) . ?
C43 H43 0.9500 . ?
C53 C63 1.401(5) . ?
C53 H53 0.9500 . ?
C63 C163 1.502(5) . ?
C7A C12A 1.407(8) . ?
C7A C8A 1.416(7) . ?
C8A C9A 1.394(7) . ?
C8A C13A 1.507(7) . ?
C9A C10A 1.383(10) . ?
C9A H9A 0.9500 . ?
C10A C11A 1.393(13) . ?
C10A C14A 1.513(10) . ?
C11A C12A 1.388(12) . ?
C11A H11G 0.9500 . ?
C12A C15A 1.483(11) . ?
C13A H13A 0.9800 . ?
C13A H13B 0.9800 . ?
C13A H13C 0.9800 . ?
C14A H14G 0.9800 . ?
C14A H14H 0.9800 . ?
C14A H14I 0.9800 . ?
C15A H15G 0.9800 . ?
C15A H15H 0.9800 . ?
C15A H15I 0.9800 . ?
C7B C12B 1.405(8) . ?
C7B C8B 1.412(8) . ?
C8B C9B 1.392(7) . ?
C8B C13B 1.506(8) . ?
C9B C10B 1.384(11) . ?
C9B H9B 0.9500 . ?
C10B C11B 1.388(13) . ?
C10B C14B 1.504(10) . ?
C11B C12B 1.385(12) . ?
C11B H11H 0.9500 . ?
C12B C15B 1.487(11) . ?
C13B H13D 0.9800 . ?
C13B H13E 0.9800 . ?
C13B H13F 0.9800 . ?
C14B H14J 0.9800 . ?
C14B H14K 0.9800 . ?
C14B H14L 0.9800 . ?
C15B H15J 0.9800 . ?
C15B H15K 0.9800 . ?
C15B H15L 0.9800 . ?
C163 C173 1.407(6) . ?
C163 C213 1.408(5) . ?
C173 C183 1.386(6) . ?
C173 C223 1.514(5) . ?
C183 C193 1.379(6) . ?
C183 H183 0.9500 . ?
C193 C203 1.379(6) . ?
C193 C233 1.506(6) . ?
C203 C213 1.388(5) . ?
C203 H203 0.9500 . ?
C213 C243 1.501(6) . ?
C223 H22A 0.9800 . ?
C223 H22B 0.9800 . ?
C223 H22C 0.9800 . ?
C233 H23G 0.9800 . ?
C233 H23H 0.9800 . ?
C233 H23I 0.9800 . ?
C243 H24G 0.9800 . ?
C243 H24H 0.9800 . ?
C243 H24I 0.9800 . ?
Al4 O44 1.680(3) . ?
Al4 O34 1.687(3) . ?
Al4 O14 1.698(3) . ?
Al4 O24 1.705(2) . ?
O14 C14 1.350(4) . ?
O24 C54 1.342(3) . ?
O34 C94 1.328(4) . ?
O44 C134 1.331(4) . ?
C14 C34 1.538(4) . ?
C14 C44 1.542(5) . ?
C14 C24 1.542(4) . ?
C24 F34 1.325(4) . ?
C24 F14 1.333(5) . ?
C24 F24 1.341(4) . ?
C34 F64 1.322(4) . ?
C34 F44 1.324(4) . ?
C34 F54 1.334(3) . ?
C44 F84 1.327(4) . ?
C44 F74 1.332(5) . ?
C44 F94 1.339(5) . ?
C54 C74 1.515(5) . ?
C54 C65 1.533(6) . ?
C54 C85 1.545(6) . ?
C54 C64 1.549(4) . ?
C54 C84 1.550(4) . ?
C54 C75 1.555(6) . ?
C64 F104 1.330(4) . ?
C64 F124 1.332(5) . ?
C64 F114 1.337(4) . ?
C74 F134 1.328(5) . ?
C74 F154 1.329(5) . ?
C74 F144 1.346(5) . ?
C84 F184 1.327(5) . ?
C84 F174 1.333(5) . ?
C84 F164 1.337(4) . ?
C65 F115 1.326(6) . ?
C65 F125 1.330(7) . ?
C65 F105 1.332(7) . ?
C75 F155 1.341(7) . ?
C75 F145 1.344(7) . ?
C75 F135 1.356(6) . ?
C85 F165 1.333(7) . ?
C85 F185 1.335(7) . ?
C85 F175 1.340(6) . ?
C94 C124 1.527(5) . ?
C94 C104 1.531(5) . ?
C94 C114 1.566(5) . ?
C104 F204 1.344(5) . ?
C104 F214 1.348(5) . ?
C104 F194 1.390(5) . ?
C114 F224 1.318(5) . ?
C114 F244 1.353(4) . ?
C114 F234 1.358(5) . ?
C124 F274 1.350(5) . ?
C124 F254 1.359(5) . ?
C124 F264 1.370(5) . ?
C134 C144 1.496(6) . ?
C134 C145 1.514(6) . ?
C134 C155 1.545(6) . ?
C134 C165 1.552(6) . ?
C134 C154 1.558(5) . ?
C134 C164 1.568(6) . ?
C144 F284 1.322(6) . ?
C144 F294 1.364(6) . ?
C144 F304 1.378(6) . ?
C154 F334 1.282(6) . ?
C154 F314 1.336(6) . ?
C154 F324 1.341(6) . ?
C164 F354 1.322(6) . ?
C164 F344 1.327(6) . ?
C164 F364 1.370(6) . ?
C145 F285 1.328(6) . ?
C145 F295 1.343(6) . ?
C145 F305 1.361(6) . ?
C155 F325 1.328(6) . ?
C155 F315 1.336(6) . ?
C155 F335 1.341(6) . ?
C165 F345 1.324(6) . ?
C165 F365 1.335(6) . ?
C165 F355 1.342(6) . ?

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
C11 Au1 P4 170.97(7) . . ?
C12 Au2 P4 167.22(8) . . ?
C13 P1 P2 101.50(11) . . ?
C13 P1 P3 103.99(11) . . ?
P2 P1 P3 59.41(3) . . ?
P4 P2 P3 60.37(3) . . ?
P4 P2 P1 84.31(4) . . ?
P3 P2 P1 60.52(4) . . ?
P2 P3 P4 59.65(3) . . ?
P2 P3 P1 60.07(3) . . ?
P4 P3 P1 83.71(4) . . ?
P2 P4 P3 59.98(3) . . ?
P2 P4 Au2 125.52(4) . . ?
P3 P4 Au2 115.81(4) . . ?
P2 P4 Au1 104.61(3) . . ?
P3 P4 Au1 99.51(3) . . ?
Au2 P4 Au1 128.02(3) . . ?
C11 N11 C21 110.3(2) . . ?
C11 N11 C41 124.8(2) . . ?
C21 N11 C41 124.9(2) . . ?
C11 N21 C31 110.2(2) . . ?
C11 N21 C161 121.0(2) . . ?
C31 N21 C161 128.0(2) . . ?
N11 C11 N21 105.8(2) . . ?
N11 C11 Au1 133.1(2) . . ?
N21 C11 Au1 120.96(19) . . ?
C31 C21 N11 107.0(2) . . ?
C31 C21 H21 126.5 . . ?
N11 C21 H21 126.5 . . ?
C21 C31 N21 106.6(3) . . ?
C21 C31 H31 126.7 . . ?
N21 C31 H31 126.7 . . ?
C51 C41 C91 124.1(3) . . ?
C51 C41 N11 118.5(3) . . ?
C91 C41 N11 117.4(3) . . ?
C41 C51 C61 116.5(4) . . ?
C41 C51 C101 123.6(3) . . ?
C61 C51 C101 119.9(4) . . ?
C71 C61 C51 121.0(4) . . ?
C71 C61 H61 119.5 . . ?
C51 C61 H61 119.5 . . ?
C61 C71 C81 121.0(4) . . ?
C61 C71 H71 119.5 . . ?
C81 C71 H71 119.5 . . ?
C71 C81 C91 121.5(4) . . ?
C71 C81 H81 119.3 . . ?
C91 C81 H81 119.3 . . ?
C41 C91 C81 115.9(4) . . ?
C41 C91 C131 122.5(3) . . ?
C81 C91 C131 121.5(3) . . ?
C51 C101 C121 113.3(4) . . ?
C51 C101 C111 110.4(4) . . ?
C121 C101 C111 109.9(4) . . ?
C51 C101 H101 107.7 . . ?
C121 C101 H101 107.7 . . ?
C111 C101 H101 107.7 . . ?
C101 C111 H11A 109.5 . . ?
C101 C111 H11B 109.5 . . ?
H11A C111 H11B 109.5 . . ?
C101 C111 H11C 109.5 . . ?
H11A C111 H11C 109.5 . . ?
H11B C111 H11C 109.5 . . ?
C101 C121 H12A 109.5 . . ?
C101 C121 H12B 109.5 . . ?
H12A C121 H12B 109.5 . . ?
C101 C121 H12C 109.5 . . ?
H12A C121 H12C 109.5 . . ?
H12B C121 H12C 109.5 . . ?
C91 C131 C141 110.4(3) . . ?
C91 C131 C151 112.2(4) . . ?
C141 C131 C151 111.5(4) . . ?
C91 C131 H131 107.5 . . ?
C141 C131 H131 107.5 . . ?
C151 C131 H131 107.5 . . ?
C131 C141 H14A 109.5 . . ?
C131 C141 H14B 109.5 . . ?
H14A C141 H14B 109.5 . . ?
C131 C141 H14C 109.5 . . ?
H14A C141 H14C 109.5 . . ?
H14B C141 H14C 109.5 . . ?
C131 C151 H15A 109.5 . . ?
C131 C151 H15B 109.5 . . ?
H15A C151 H15B 109.5 . . ?
C131 C151 H15C 109.5 . . ?
H15A C151 H15C 109.5 . . ?
H15B C151 H15C 109.5 . . ?
C211 C161 C171 124.0(3) . . ?
C211 C161 N21 119.0(3) . . ?
C171 C161 N21 116.7(3) . . ?
C181 C171 C161 116.6(3) . . ?
C181 C171 C221 121.2(3) . . ?
C161 C171 C221 122.2(3) . . ?
C191 C181 C171 120.9(3) . . ?
C191 C181 H181 119.5 . . ?
C171 C181 H181 119.5 . . ?
C181 C191 C201 120.8(3) . . ?
C181 C191 H191 119.6 . . ?
C201 C191 H191 119.6 . . ?
C191 C201 C211 120.8(3) . . ?
C191 C201 H201 119.6 . . ?
C211 C201 H201 119.6 . . ?
C161 C211 C201 116.7(3) . . ?
C161 C211 C251 123.0(3) . . ?
C201 C211 C251 120.3(3) . . ?
C171 C221 C241 110.1(3) . . ?
C171 C221 C231 112.3(3) . . ?
C241 C221 C231 110.5(3) . . ?
C171 C221 H221 107.9 . . ?
C241 C221 H221 107.9 . . ?
C231 C221 H221 107.9 . . ?
C221 C231 H23A 109.5 . . ?
C221 C231 H23B 109.5 . . ?
H23A C231 H23B 109.5 . . ?
C221 C231 H23C 109.5 . . ?
H23A C231 H23C 109.5 . . ?
H23B C231 H23C 109.5 . . ?
C221 C241 H24A 109.5 . . ?
C221 C241 H24B 109.5 . . ?
H24A C241 H24B 109.5 . . ?
C221 C241 H24C 109.5 . . ?
H24A C241 H24C 109.5 . . ?
H24B C241 H24C 109.5 . . ?
C211 C251 C271 111.0(3) . . ?
C211 C251 C261 111.5(3) . . ?
C271 C251 C261 111.0(3) . . ?
C211 C251 H251 107.8 . . ?
C271 C251 H251 107.8 . . ?
C261 C251 H251 107.8 . . ?
C251 C261 H26A 109.5 . . ?
C251 C261 H26B 109.5 . . ?
H26A C261 H26B 109.5 . . ?
C251 C261 H26C 109.5 . . ?
H26A C261 H26C 109.5 . . ?
H26B C261 H26C 109.5 . . ?
C251 C271 H27A 109.5 . . ?
C251 C271 H27B 109.5 . . ?
H27A C271 H27B 109.5 . . ?
C251 C271 H27C 109.5 . . ?
H27A C271 H27C 109.5 . . ?
H27B C271 H27C 109.5 . . ?
C12 N12 C22 110.8(2) . . ?
C12 N12 C42 123.3(2) . . ?
C22 N12 C42 125.7(2) . . ?
C12 N22 C32 111.1(2) . . ?
C12 N22 C162 124.9(2) . . ?
C32 N22 C162 123.9(2) . . ?
N22 C12 N12 104.6(2) . . ?
N22 C12 Au2 131.28(19) . . ?
N12 C12 Au2 123.67(19) . . ?
C32 C22 N12 106.8(2) . . ?
C32 C22 H22 126.6 . . ?
N12 C22 H22 126.6 . . ?
C22 C32 N22 106.6(2) . . ?
C22 C32 H32 126.7 . . ?
N22 C32 H32 126.7 . . ?
C92 C42 C52 124.0(3) . . ?
C92 C42 N12 119.0(3) . . ?
C52 C42 N12 116.9(3) . . ?
C42 C52 C62 116.2(4) . . ?
C42 C52 C102 122.7(3) . . ?
C62 C52 C102 121.1(4) . . ?
C72 C62 C52 121.1(4) . . ?
C72 C62 H62 119.4 . . ?
C52 C62 H62 119.4 . . ?
C62 C72 C82 121.0(4) . . ?
C62 C72 H72 119.5 . . ?
C82 C72 H72 119.5 . . ?
C72 C82 C92 121.2(4) . . ?
C72 C82 H82 119.4 . . ?
C92 C82 H82 119.4 . . ?
C42 C92 C82 116.5(4) . . ?
C42 C92 C132 123.1(3) . . ?
C82 C92 C132 120.4(4) . . ?
C122 C102 C52 111.2(3) . . ?
C122 C102 C112 110.9(4) . . ?
C52 C102 C112 111.0(4) . . ?
C122 C102 H102 107.9 . . ?
C52 C102 H102 107.9 . . ?
C112 C102 H102 107.9 . . ?
C102 C112 H11D 109.5 . . ?
C102 C112 H11E 109.5 . . ?
H11D C112 H11E 109.5 . . ?
C102 C112 H11F 109.5 . . ?
H11D C112 H11F 109.5 . . ?
H11E C112 H11F 109.5 . . ?
C102 C122 H12D 109.5 . . ?
C102 C122 H12E 109.5 . . ?
H12D C122 H12E 109.5 . . ?
C102 C122 H12F 109.5 . . ?
H12D C122 H12F 109.5 . . ?
H12E C122 H12F 109.5 . . ?
C152 C132 C92 111.5(4) . . ?
C152 C132 C142 109.7(4) . . ?
C92 C132 C142 111.4(4) . . ?
C152 C132 H132 108.0 . . ?
C92 C132 H132 108.0 . . ?
C142 C132 H132 108.0 . . ?
C132 C142 H14D 109.5 . . ?
C132 C142 H14E 109.5 . . ?
H14D C142 H14E 109.5 . . ?
C132 C142 H14F 109.5 . . ?
H14D C142 H14F 109.5 . . ?
H14E C142 H14F 109.5 . . ?
C132 C152 H15D 109.5 . . ?
C132 C152 H15E 109.5 . . ?
H15D C152 H15E 109.5 . . ?
C132 C152 H15F 109.5 . . ?
H15D C152 H15F 109.5 . . ?
H15E C152 H15F 109.5 . . ?
C212 C162 C172 123.4(3) . . ?
C212 C162 N22 118.0(2) . . ?
C172 C162 N22 118.5(2) . . ?
C182 C172 C162 117.0(3) . . ?
C182 C172 C222 121.1(3) . . ?
C162 C172 C222 122.0(3) . . ?
C192 C182 C172 120.9(3) . . ?
C192 C182 H182 119.5 . . ?
C172 C182 H182 119.5 . . ?
C182 C192 C202 120.9(3) . . ?
C182 C192 H192 119.5 . . ?
C202 C192 H192 119.5 . . ?
C192 C202 C212 120.6(3) . . ?
C192 C202 H202 119.7 . . ?
C212 C202 H202 119.7 . . ?
C202 C212 C162 117.1(3) . . ?
C202 C212 C252 120.6(3) . . ?
C162 C212 C252 122.2(3) . . ?
C172 C222 C242 111.0(3) . . ?
C172 C222 C232 111.3(3) . . ?
C242 C222 C232 110.9(3) . . ?
C172 C222 H222 107.8 . . ?
C242 C222 H222 107.8 . . ?
C232 C222 H222 107.8 . . ?
C222 C232 H23D 109.5 . . ?
C222 C232 H23E 109.5 . . ?
H23D C232 H23E 109.5 . . ?
C222 C232 H23F 109.5 . . ?
H23D C232 H23F 109.5 . . ?
H23E C232 H23F 109.5 . . ?
C222 C242 H24D 109.5 . . ?
C222 C242 H24E 109.5 . . ?
H24D C242 H24E 109.5 . . ?
C222 C242 H24F 109.5 . . ?
H24D C242 H24F 109.5 . . ?
H24E C242 H24F 109.5 . . ?
C262 C252 C272 110.8(3) . . ?
C262 C252 C212 111.3(3) . . ?
C272 C252 C212 111.5(3) . . ?
C262 C252 H252 107.7 . . ?
C272 C252 H252 107.7 . . ?
C212 C252 H252 107.7 . . ?
C252 C262 H26D 109.5 . . ?
C252 C262 H26E 109.5 . . ?
H26D C262 H26E 109.5 . . ?
C252 C262 H26F 109.5 . . ?
H26D C262 H26F 109.5 . . ?
H26E C262 H26F 109.5 . . ?
C252 C272 H27D 109.5 . . ?
C252 C272 H27E 109.5 . . ?
H27D C272 H27E 109.5 . . ?
C252 C272 H27F 109.5 . . ?
H27D C272 H27F 109.5 . . ?
H27E C272 H27F 109.5 . . ?
C63 C13 C23 119.4(3) . . ?
C63 C13 P1 116.4(2) . . ?
C23 C13 P1 124.0(3) . . ?
C7B C23 C33 113.3(5) . . ?
C7B C23 C13 128.2(5) . . ?
C33 C23 C13 118.5(4) . . ?
C33 C23 C7A 119.4(4) . . ?
C13 C23 C7A 122.0(4) . . ?
C43 C33 C23 122.0(4) . . ?
C43 C33 H33 119.0 . . ?
C23 C33 H33 119.0 . . ?
C33 C43 C53 120.1(4) . . ?
C33 C43 H43 119.9 . . ?
C53 C43 H43 119.9 . . ?
C43 C53 C63 120.3(5) . . ?
C43 C53 H53 119.8 . . ?
C63 C53 H53 119.8 . . ?
C53 C63 C13 119.6(4) . . ?
C53 C63 C163 116.3(4) . . ?
C13 C63 C163 124.1(3) . . ?
C12A C7A C8A 118.3(7) . . ?
C12A C7A C23 128.2(7) . . ?
C8A C7A C23 113.5(6) . . ?
C9A C8A C7A 119.9(7) . . ?
C9A C8A C13A 119.9(7) . . ?
C7A C8A C13A 120.2(7) . . ?
C10A C9A C8A 121.9(8) . . ?
C10A C9A H9A 119.1 . . ?
C8A C9A H9A 119.1 . . ?
C9A C10A C11A 117.9(8) . . ?
C9A C10A C14A 120.7(10) . . ?
C11A C10A C14A 121.3(9) . . ?
C12A C11A C10A 122.0(7) . . ?
C12A C11A H11G 119.0 . . ?
C10A C11A H11G 119.0 . . ?
C11A C12A C7A 120.0(8) . . ?
C11A C12A C15A 118.5(8) . . ?
C7A C12A C15A 121.5(9) . . ?
C8A C13A H13A 109.5 . . ?
C8A C13A H13B 109.5 . . ?
H13A C13A H13B 109.5 . . ?
C8A C13A H13C 109.5 . . ?
H13A C13A H13C 109.5 . . ?
H13B C13A H13C 109.5 . . ?
C10A C14A H14G 109.5 . . ?
C10A C14A H14H 109.5 . . ?
H14G C14A H14H 109.5 . . ?
C10A C14A H14I 109.5 . . ?
H14G C14A H14I 109.5 . . ?
H14H C14A H14I 109.5 . . ?
C12A C15A H15G 109.5 . . ?
C12A C15A H15H 109.5 . . ?
H15G C15A H15H 109.5 . . ?
C12A C15A H15I 109.5 . . ?
H15G C15A H15I 109.5 . . ?
H15H C15A H15I 109.5 . . ?
C23 C7B C12B 115.7(8) . . ?
C23 C7B C8B 125.4(7) . . ?
C12B C7B C8B 118.1(8) . . ?
C9B C8B C7B 120.3(8) . . ?
C9B C8B C13B 118.6(8) . . ?
C7B C8B C13B 121.1(7) . . ?
C10B C9B C8B 121.9(9) . . ?
C10B C9B H9B 119.0 . . ?
C8B C9B H9B 119.0 . . ?
C9B C10B C11B 117.0(8) . . ?
C9B C10B C14B 119.5(11) . . ?
C11B C10B C14B 123.5(11) . . ?
C12B C11B C10B 123.2(8) . . ?
C12B C11B H11H 118.4 . . ?
C10B C11B H11H 118.4 . . ?
C11B C12B C7B 119.5(8) . . ?
C11B C12B C15B 118.3(8) . . ?
C7B C12B C15B 122.2(9) . . ?
C8B C13B H13D 109.5 . . ?
C8B C13B H13E 109.5 . . ?
H13D C13B H13E 109.5 . . ?
C8B C13B H13F 109.5 . . ?
H13D C13B H13F 109.5 . . ?
H13E C13B H13F 109.5 . . ?
C10B C14B H14J 109.5 . . ?
C10B C14B H14K 109.5 . . ?
H14J C14B H14K 109.5 . . ?
C10B C14B H14L 109.5 . . ?
H14J C14B H14L 109.5 . . ?
H14K C14B H14L 109.5 . . ?
C12B C15B H15J 109.5 . . ?
C12B C15B H15K 109.5 . . ?
H15J C15B H15K 109.5 . . ?
C12B C15B H15L 109.5 . . ?
H15J C15B H15L 109.5 . . ?
H15K C15B H15L 109.5 . . ?
C173 C163 C213 120.1(3) . . ?
C173 C163 C63 120.2(3) . . ?
C213 C163 C63 119.4(4) . . ?
C183 C173 C163 118.6(3) . . ?
C183 C173 C223 119.8(4) . . ?
C163 C173 C223 121.6(4) . . ?
C193 C183 C173 122.2(4) . . ?
C193 C183 H183 118.9 . . ?
C173 C183 H183 118.9 . . ?
C203 C193 C183 118.3(4) . . ?
C203 C193 C233 120.5(4) . . ?
C183 C193 C233 121.2(4) . . ?
C193 C203 C213 122.3(3) . . ?
C193 C203 H203 118.8 . . ?
C213 C203 H203 118.8 . . ?
C203 C213 C163 118.4(4) . . ?
C203 C213 C243 119.8(3) . . ?
C163 C213 C243 121.8(3) . . ?
C173 C223 H22A 109.5 . . ?
C173 C223 H22B 109.5 . . ?
H22A C223 H22B 109.5 . . ?
C173 C223 H22C 109.5 . . ?
H22A C223 H22C 109.5 . . ?
H22B C223 H22C 109.5 . . ?
C193 C233 H23G 109.5 . . ?
C193 C233 H23H 109.5 . . ?
H23G C233 H23H 109.5 . . ?
C193 C233 H23I 109.5 . . ?
H23G C233 H23I 109.5 . . ?
H23H C233 H23I 109.5 . . ?
C213 C243 H24G 109.5 . . ?
C213 C243 H24H 109.5 . . ?
H24G C243 H24H 109.5 . . ?
C213 C243 H24I 109.5 . . ?
H24G C243 H24I 109.5 . . ?
H24H C243 H24I 109.5 . . ?
O44 Al4 O34 109.4(3) . . ?
O44 Al4 O14 110.2(2) . . ?
O34 Al4 O14 108.66(16) . . ?
O44 Al4 O24 108.27(19) . . ?
O34 Al4 O24 110.50(16) . . ?
O14 Al4 O24 109.85(14) . . ?
C14 O14 Al4 151.5(3) . . ?
C54 O24 Al4 152.5(2) . . ?
C94 O34 Al4 159.7(3) . . ?
C134 O44 Al4 163.4(3) . . ?
O14 C14 C34 111.2(3) . . ?
O14 C14 C44 110.7(3) . . ?
C34 C14 C44 108.7(3) . . ?
O14 C14 C24 107.3(3) . . ?
C34 C14 C24 109.5(3) . . ?
C44 C14 C24 109.4(3) . . ?
F34 C24 F14 105.7(4) . . ?
F34 C24 F24 108.0(3) . . ?
F14 C24 F24 106.6(3) . . ?
F34 C24 C14 112.3(3) . . ?
F14 C24 C14 111.6(3) . . ?
F24 C24 C14 112.3(4) . . ?
F64 C34 F44 106.4(3) . . ?
F64 C34 F54 107.5(3) . . ?
F44 C34 F54 107.8(3) . . ?
F64 C34 C14 110.5(3) . . ?
F44 C34 C14 111.6(3) . . ?
F54 C34 C14 112.7(3) . . ?
F84 C44 F74 108.0(4) . . ?
F84 C44 F94 107.3(4) . . ?
F74 C44 F94 107.0(4) . . ?
F84 C44 C14 110.5(3) . . ?
F74 C44 C14 110.9(4) . . ?
F94 C44 C14 112.9(3) . . ?
O24 C54 C74 109.7(3) . . ?
O24 C54 C65 109.0(4) . . ?
O24 C54 C85 110.6(4) . . ?
C65 C54 C85 109.8(5) . . ?
O24 C54 C64 110.4(2) . . ?
C74 C54 C64 109.9(3) . . ?
O24 C54 C84 108.7(3) . . ?
C74 C54 C84 110.2(3) . . ?
C64 C54 C84 107.9(3) . . ?
O24 C54 C75 115.1(4) . . ?
C65 C54 C75 106.7(5) . . ?
C85 C54 C75 105.5(5) . . ?
F104 C64 F124 106.7(4) . . ?
F104 C64 F114 106.7(3) . . ?
F124 C64 F114 108.1(4) . . ?
F104 C64 C54 110.9(3) . . ?
F124 C64 C54 111.9(3) . . ?
F114 C64 C54 112.3(3) . . ?
F134 C74 F154 108.7(5) . . ?
F134 C74 F144 109.1(5) . . ?
F154 C74 F144 109.5(5) . . ?
F134 C74 C54 111.4(4) . . ?
F154 C74 C54 109.3(4) . . ?
F144 C74 C54 108.9(4) . . ?
F184 C84 F174 108.0(4) . . ?
F184 C84 F164 107.1(4) . . ?
F174 C84 F164 108.8(4) . . ?
F184 C84 C54 111.3(4) . . ?
F174 C84 C54 109.8(3) . . ?
F164 C84 C54 111.7(3) . . ?
F115 C65 F125 111.6(8) . . ?
F115 C65 F105 109.1(9) . . ?
F125 C65 F105 110.0(9) . . ?
F115 C65 C54 111.8(7) . . ?
F125 C65 C54 106.3(7) . . ?
F105 C65 C54 108.0(7) . . ?
F155 C75 F145 107.2(8) . . ?
F155 C75 F135 105.2(8) . . ?
F145 C75 F135 105.9(8) . . ?
F155 C75 C54 110.7(7) . . ?
F145 C75 C54 114.5(7) . . ?
F135 C75 C54 112.8(7) . . ?
F165 C85 F185 109.1(9) . . ?
F165 C85 F175 109.1(8) . . ?
F185 C85 F175 107.2(8) . . ?
F165 C85 C54 107.6(7) . . ?
F185 C85 C54 111.5(7) . . ?
F175 C85 C54 112.3(7) . . ?
O34 C94 C124 110.6(3) . . ?
O34 C94 C104 107.3(3) . . ?
C124 C94 C104 109.7(3) . . ?
O34 C94 C114 112.2(3) . . ?
C124 C94 C114 108.5(3) . . ?
C104 C94 C114 108.6(3) . . ?
F204 C104 F214 103.8(5) . . ?
F204 C104 F194 113.1(5) . . ?
F214 C104 F194 112.5(5) . . ?
F204 C104 C94 109.4(4) . . ?
F214 C104 C94 109.8(4) . . ?
F194 C104 C94 108.1(4) . . ?
F224 C114 F244 105.6(4) . . ?
F224 C114 F234 111.2(4) . . ?
F244 C114 F234 112.4(4) . . ?
F224 C114 C94 109.8(4) . . ?
F244 C114 C94 110.1(4) . . ?
F234 C114 C94 107.8(3) . . ?
F274 C124 F254 113.4(5) . . ?
F274 C124 F264 114.1(5) . . ?
F254 C124 F264 102.3(4) . . ?
F274 C124 C94 108.3(4) . . ?
F254 C124 C94 108.5(4) . . ?
F264 C124 C94 110.0(4) . . ?
O44 C134 C144 118.1(4) . . ?
O44 C134 C145 112.9(4) . . ?
O44 C134 C155 104.2(4) . . ?
C145 C134 C155 118.0(4) . . ?
O44 C134 C165 108.3(4) . . ?
C145 C134 C165 107.6(5) . . ?
C155 C134 C165 105.2(4) . . ?
O44 C134 C154 108.4(3) . . ?
C144 C134 C154 108.4(4) . . ?
O44 C134 C164 107.5(4) . . ?
C144 C134 C164 111.2(5) . . ?
C154 C134 C164 102.0(4) . . ?
F284 C144 F294 104.3(7) . . ?
F284 C144 F304 112.3(7) . . ?
F294 C144 F304 104.8(7) . . ?
F284 C144 C134 111.6(6) . . ?
F294 C144 C134 107.6(6) . . ?
F304 C144 C134 115.3(6) . . ?
F334 C154 F314 105.7(6) . . ?
F334 C154 F324 103.0(7) . . ?
F314 C154 F324 105.6(7) . . ?
F334 C154 C134 120.5(6) . . ?
F314 C154 C134 114.1(5) . . ?
F324 C154 C134 106.4(6) . . ?
F354 C164 F344 107.6(7) . . ?
F354 C164 F364 114.7(7) . . ?
F344 C164 F364 113.3(7) . . ?
F354 C164 C134 114.1(6) . . ?
F344 C164 C134 108.1(6) . . ?
F364 C164 C134 98.8(5) . . ?
F285 C145 F295 106.2(8) . . ?
F285 C145 F305 116.1(8) . . ?
F295 C145 F305 104.1(7) . . ?
F285 C145 C134 103.1(6) . . ?
F295 C145 C134 107.4(7) . . ?
F305 C145 C134 119.1(6) . . ?
F325 C155 F315 114.7(7) . . ?
F325 C155 F335 107.0(8) . . ?
F315 C155 F335 106.8(8) . . ?
F325 C155 C134 112.2(6) . . ?
F315 C155 C134 105.5(6) . . ?
F335 C155 C134 110.4(8) . . ?
F345 C165 F365 108.7(7) . . ?
F345 C165 F355 109.6(7) . . ?
F365 C165 F355 104.4(7) . . ?
F345 C165 C134 112.9(6) . . ?
F365 C165 C134 110.9(5) . . ?
F355 C165 C134 110.0(6) . . ?

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
C21 N11 C11 N21 -0.1(3) . . . . ?
C41 N11 C11 N21 179.5(3) . . . . ?
C21 N11 C11 Au1 176.3(2) . . . . ?
C41 N11 C11 Au1 -4.1(5) . . . . ?
C31 N21 C11 N11 0.1(3) . . . . ?
C161 N21 C11 N11 170.8(2) . . . . ?
C31 N21 C11 Au1 -176.9(2) . . . . ?
C161 N21 C11 Au1 -6.2(3) . . . . ?
C11 N11 C21 C31 0.2(4) . . . . ?
C41 N11 C21 C31 -179.4(3) . . . . ?
N11 C21 C31 N21 -0.1(3) . . . . ?
C11 N21 C31 C21 0.0(3) . . . . ?
C161 N21 C31 C21 -169.9(3) . . . . ?
C11 N11 C41 C51 88.2(4) . . . . ?
C21 N11 C41 C51 -92.2(4) . . . . ?
C11 N11 C41 C91 -92.4(4) . . . . ?
C21 N11 C41 C91 87.1(4) . . . . ?
C91 C41 C51 C61 0.8(6) . . . . ?
N11 C41 C51 C61 -179.9(3) . . . . ?
C91 C41 C51 C101 178.4(4) . . . . ?
N11 C41 C51 C101 -2.3(5) . . . . ?
C41 C51 C61 C71 -1.5(7) . . . . ?
C101 C51 C61 C71 -179.2(5) . . . . ?
C51 C61 C71 C81 1.8(8) . . . . ?
C61 C71 C81 C91 -1.2(8) . . . . ?
C51 C41 C91 C81 -0.3(5) . . . . ?
N11 C41 C91 C81 -179.6(3) . . . . ?
C51 C41 C91 C131 -177.5(3) . . . . ?
N11 C41 C91 C131 3.2(5) . . . . ?
C71 C81 C91 C41 0.5(6) . . . . ?
C71 C81 C91 C131 177.7(4) . . . . ?
C41 C51 C101 C121 134.0(4) . . . . ?
C61 C51 C101 C121 -48.5(6) . . . . ?
C41 C51 C101 C111 -102.3(5) . . . . ?
C61 C51 C101 C111 75.2(5) . . . . ?
C41 C91 C131 C141 108.6(4) . . . . ?
C81 C91 C131 C141 -68.5(5) . . . . ?
C41 C91 C131 C151 -126.3(4) . . . . ?
C81 C91 C131 C151 56.6(5) . . . . ?
C11 N21 C161 C211 89.1(3) . . . . ?
C31 N21 C161 C211 -101.9(3) . . . . ?
C11 N21 C161 C171 -84.7(3) . . . . ?
C31 N21 C161 C171 84.2(4) . . . . ?
C211 C161 C171 C181 -3.5(4) . . . . ?
N21 C161 C171 C181 170.0(2) . . . . ?
C211 C161 C171 C221 175.8(3) . . . . ?
N21 C161 C171 C221 -10.7(4) . . . . ?
C161 C171 C181 C191 0.6(4) . . . . ?
C221 C171 C181 C191 -178.6(3) . . . . ?
C171 C181 C191 C201 2.4(5) . . . . ?
C181 C191 C201 C211 -2.7(5) . . . . ?
C171 C161 C211 C201 3.2(4) . . . . ?
N21 C161 C211 C201 -170.2(2) . . . . ?
C171 C161 C211 C251 -176.6(3) . . . . ?
N21 C161 C211 C251 10.1(4) . . . . ?
C191 C201 C211 C161 0.0(4) . . . . ?
C191 C201 C211 C251 179.7(3) . . . . ?
C181 C171 C221 C241 78.9(4) . . . . ?
C161 C171 C221 C241 -100.3(3) . . . . ?
C181 C171 C221 C231 -44.7(4) . . . . ?
C161 C171 C221 C231 136.1(3) . . . . ?
C161 C211 C251 C271 119.5(3) . . . . ?
C201 C211 C251 C271 -60.2(4) . . . . ?
C161 C211 C251 C261 -116.3(3) . . . . ?
C201 C211 C251 C261 64.0(4) . . . . ?
C32 N22 C12 N12 0.0(3) . . . . ?
C162 N22 C12 N12 177.7(2) . . . . ?
C32 N22 C12 Au2 -172.6(2) . . . . ?
C162 N22 C12 Au2 5.2(4) . . . . ?
C22 N12 C12 N22 0.4(3) . . . . ?
C42 N12 C12 N22 174.7(3) . . . . ?
C22 N12 C12 Au2 173.7(2) . . . . ?
C42 N12 C12 Au2 -12.0(4) . . . . ?
C12 N12 C22 C32 -0.6(3) . . . . ?
C42 N12 C22 C32 -174.8(3) . . . . ?
N12 C22 C32 N22 0.6(3) . . . . ?
C12 N22 C32 C22 -0.4(3) . . . . ?
C162 N22 C32 C22 -178.1(3) . . . . ?
C12 N12 C42 C92 91.4(4) . . . . ?
C22 N12 C42 C92 -95.1(4) . . . . ?
C12 N12 C42 C52 -87.2(4) . . . . ?
C22 N12 C42 C52 86.3(4) . . . . ?
C92 C42 C52 C62 0.0(5) . . . . ?
N12 C42 C52 C62 178.5(3) . . . . ?
C92 C42 C52 C102 -178.1(3) . . . . ?
N12 C42 C52 C102 0.5(5) . . . . ?
C42 C52 C62 C72 0.0(7) . . . . ?
C102 C52 C62 C72 178.1(4) . . . . ?
C52 C62 C72 C82 0.0(8) . . . . ?
C62 C72 C82 C92 0.1(8) . . . . ?
C52 C42 C92 C82 0.1(5) . . . . ?
N12 C42 C92 C82 -178.4(3) . . . . ?
C52 C42 C92 C132 -179.8(4) . . . . ?
N12 C42 C92 C132 1.6(5) . . . . ?
C72 C82 C92 C42 -0.1(6) . . . . ?
C72 C82 C92 C132 179.8(4) . . . . ?
C42 C52 C102 C122 113.4(4) . . . . ?
C62 C52 C102 C122 -64.6(5) . . . . ?
C42 C52 C102 C112 -122.6(4) . . . . ?
C62 C52 C102 C112 59.4(5) . . . . ?
C42 C92 C132 C152 -111.4(5) . . . . ?
C82 C92 C132 C152 68.6(5) . . . . ?
C42 C92 C132 C142 125.7(4) . . . . ?
C82 C92 C132 C142 -54.2(6) . . . . ?
C12 N22 C162 C212 -90.2(3) . . . . ?
C32 N22 C162 C212 87.3(3) . . . . ?
C12 N22 C162 C172 91.8(3) . . . . ?
C32 N22 C162 C172 -90.8(3) . . . . ?
C212 C162 C172 C182 0.7(4) . . . . ?
N22 C162 C172 C182 178.6(2) . . . . ?
C212 C162 C172 C222 -179.6(3) . . . . ?
N22 C162 C172 C222 -1.7(4) . . . . ?
C162 C172 C182 C192 -0.7(4) . . . . ?
C222 C172 C182 C192 179.6(3) . . . . ?
C172 C182 C192 C202 0.0(5) . . . . ?
C182 C192 C202 C212 0.8(5) . . . . ?
C192 C202 C212 C162 -0.8(4) . . . . ?
C192 C202 C212 C252 179.7(3) . . . . ?
C172 C162 C212 C202 0.0(4) . . . . ?
N22 C162 C212 C202 -177.9(2) . . . . ?
C172 C162 C212 C252 179.6(3) . . . . ?
N22 C162 C212 C252 1.7(4) . . . . ?
C182 C172 C222 C242 76.1(4) . . . . ?
C162 C172 C222 C242 -103.6(3) . . . . ?
C182 C172 C222 C232 -48.0(4) . . . . ?
C162 C172 C222 C232 132.4(3) . . . . ?
C202 C212 C252 C262 65.7(4) . . . . ?
C162 C212 C252 C262 -113.9(3) . . . . ?
C202 C212 C252 C272 -58.6(4) . . . . ?
C162 C212 C252 C272 121.8(4) . . . . ?
P2 P1 C13 C63 -83.8(3) . . . . ?
P3 P1 C13 C63 -144.9(3) . . . . ?
P2 P1 C13 C23 100.9(3) . . . . ?
P3 P1 C13 C23 39.8(3) . . . . ?
C63 C13 C23 C7B -179.9(6) . . . . ?
P1 C13 C23 C7B -4.8(7) . . . . ?
C63 C13 C23 C33 0.0(6) . . . . ?
P1 C13 C23 C33 175.2(3) . . . . ?
C63 C13 C23 C7A 176.8(4) . . . . ?
P1 C13 C23 C7A -8.1(6) . . . . ?
C7B C23 C33 C43 -179.4(7) . . . . ?
C13 C23 C33 C43 0.6(8) . . . . ?
C7A C23 C33 C43 -176.2(6) . . . . ?
C23 C33 C43 C53 -0.2(10) . . . . ?
C33 C43 C53 C63 -0.9(10) . . . . ?
C43 C53 C63 C13 1.5(8) . . . . ?
C43 C53 C63 C163 -177.5(5) . . . . ?
C23 C13 C63 C53 -1.1(6) . . . . ?
P1 C13 C63 C53 -176.6(4) . . . . ?
C23 C13 C63 C163 177.9(4) . . . . ?
P1 C13 C63 C163 2.3(5) . . . . ?
C33 C23 C7A C12A -109.7(6) . . . . ?
C13 C23 C7A C12A 73.6(7) . . . . ?
C33 C23 C7A C8A 69.7(5) . . . . ?
C13 C23 C7A C8A -107.0(4) . . . . ?
C12A C7A C8A C9A 0.0(2) . . . . ?
C23 C7A C8A C9A -179.5(5) . . . . ?
C12A C7A C8A C13A 179.8(3) . . . . ?
C23 C7A C8A C13A 0.4(6) . . . . ?
C7A C8A C9A C10A -0.3(3) . . . . ?
C13A C8A C9A C10A 179.9(4) . . . . ?
C8A C9A C10A C11A 0.4(6) . . . . ?
C8A C9A C10A C14A -180.0(3) . . . . ?
C9A C10A C11A C12A -0.4(8) . . . . ?
C14A C10A C11A C12A -180.0(5) . . . . ?
C10A C11A C12A C7A 0.1(8) . . . . ?
C10A C11A C12A C15A 179.4(5) . . . . ?
C8A C7A C12A C11A 0.1(5) . . . . ?
C23 C7A C12A C11A 179.5(7) . . . . ?
C8A C7A C12A C15A -179.2(3) . . . . ?
C23 C7A C12A C15A 0.2(9) . . . . ?
C33 C23 C7B C12B -112.2(6) . . . . ?
C13 C23 C7B C12B 67.8(8) . . . . ?
C33 C23 C7B C8B 78.5(6) . . . . ?
C13 C23 C7B C8B -101.6(6) . . . . ?
C23 C7B C8B C9B 169.3(7) . . . . ?
C12B C7B C8B C9B 0.2(2) . . . . ?
C23 C7B C8B C13B -10.7(7) . . . . ?
C12B C7B C8B C13B -179.7(4) . . . . ?
C7B C8B C9B C10B -0.3(3) . . . . ?
C13B C8B C9B C10B 179.7(4) . . . . ?
C8B C9B C10B C11B 0.3(6) . . . . ?
C8B C9B C10B C14B -179.9(3) . . . . ?
C9B C10B C11B C12B -0.3(8) . . . . ?
C14B C10B C11B C12B 179.9(5) . . . . ?
C10B C11B C12B C7B 0.3(8) . . . . ?
C10B C11B C12B C15B 178.9(5) . . . . ?
C23 C7B C12B C11B -170.4(7) . . . . ?
C8B C7B C12B C11B -0.2(5) . . . . ?
C23 C7B C12B C15B 11.0(8) . . . . ?
C8B C7B C12B C15B -178.8(3) . . . . ?
C53 C63 C163 C173 -74.7(5) . . . . ?
C13 C63 C163 C173 106.3(5) . . . . ?
C53 C63 C163 C213 98.7(5) . . . . ?
C13 C63 C163 C213 -80.3(4) . . . . ?
C213 C163 C173 C183 -1.7(5) . . . . ?
C63 C163 C173 C183 171.7(3) . . . . ?
C213 C163 C173 C223 178.5(3) . . . . ?
C63 C163 C173 C223 -8.2(5) . . . . ?
C163 C173 C183 C193 0.2(6) . . . . ?
C223 C173 C183 C193 -180.0(4) . . . . ?
C173 C183 C193 C203 1.4(6) . . . . ?
C173 C183 C193 C233 -178.7(4) . . . . ?
C183 C193 C203 C213 -1.5(6) . . . . ?
C233 C193 C203 C213 178.5(4) . . . . ?
C193 C203 C213 C163 0.1(5) . . . . ?
C193 C203 C213 C243 -178.1(3) . . . . ?
C173 C163 C213 C203 1.6(5) . . . . ?
C63 C163 C213 C203 -171.8(3) . . . . ?
C173 C163 C213 C243 179.7(3) . . . . ?
C63 C163 C213 C243 6.3(5) . . . . ?
O44 Al4 O14 C14 -113.2(7) . . . . ?
O34 Al4 O14 C14 126.9(7) . . . . ?
O24 Al4 O14 C14 6.0(7) . . . . ?
O44 Al4 O24 C54 -65.8(6) . . . . ?
O34 Al4 O24 C54 54.0(6) . . . . ?
O14 Al4 O24 C54 173.8(5) . . . . ?
O44 Al4 O34 C94 -105.6(10) . . . . ?
O14 Al4 O34 C94 14.7(11) . . . . ?
O24 Al4 O34 C94 135.3(10) . . . . ?
O34 Al4 O44 C134 105.0(17) . . . . ?
O14 Al4 O44 C134 -14.3(17) . . . . ?
O24 Al4 O44 C134 -134.5(16) . . . . ?
Al4 O14 C14 C34 40.1(8) . . . . ?
Al4 O14 C14 C44 -80.9(7) . . . . ?
Al4 O14 C14 C24 159.8(6) . . . . ?
O14 C14 C24 F34 42.8(5) . . . . ?
C34 C14 C24 F34 163.6(4) . . . . ?
C44 C14 C24 F34 -77.3(5) . . . . ?
O14 C14 C24 F14 -75.7(4) . . . . ?
C34 C14 C24 F14 45.1(4) . . . . ?
C44 C14 C24 F14 164.2(3) . . . . ?
O14 C14 C24 F24 164.7(3) . . . . ?
C34 C14 C24 F24 -74.5(4) . . . . ?
C44 C14 C24 F24 44.6(4) . . . . ?
O14 C14 C34 F64 41.3(4) . . . . ?
C44 C14 C34 F64 163.4(3) . . . . ?
C24 C14 C34 F64 -77.1(4) . . . . ?
O14 C14 C34 F44 -76.8(4) . . . . ?
C44 C14 C34 F44 45.2(4) . . . . ?
C24 C14 C34 F44 164.8(3) . . . . ?
O14 C14 C34 F54 161.7(3) . . . . ?
C44 C14 C34 F54 -76.3(4) . . . . ?
C24 C14 C34 F54 43.3(4) . . . . ?
O14 C14 C44 F84 44.4(5) . . . . ?
C34 C14 C44 F84 -78.0(4) . . . . ?
C24 C14 C44 F84 162.4(4) . . . . ?
O14 C14 C44 F74 -75.4(4) . . . . ?
C34 C14 C44 F74 162.2(3) . . . . ?
C24 C14 C44 F74 42.6(4) . . . . ?
O14 C14 C44 F94 164.5(3) . . . . ?
C34 C14 C44 F94 42.1(4) . . . . ?
C24 C14 C44 F94 -77.4(4) . . . . ?
Al4 O24 C54 C74 83.7(6) . . . . ?
Al4 O24 C54 C65 -69.8(7) . . . . ?
Al4 O24 C54 C85 169.4(6) . . . . ?
Al4 O24 C54 C64 -37.5(6) . . . . ?
Al4 O24 C54 C84 -155.7(5) . . . . ?
Al4 O24 C54 C75 50.0(7) . . . . ?
O24 C54 C64 F104 45.4(4) . . . . ?
C74 C54 C64 F104 -75.8(4) . . . . ?
C84 C54 C64 F104 164.0(3) . . . . ?
O24 C54 C64 F124 -73.6(4) . . . . ?
C74 C54 C64 F124 165.2(4) . . . . ?
C84 C54 C64 F124 45.0(4) . . . . ?
O24 C54 C64 F114 164.7(3) . . . . ?
C74 C54 C64 F114 43.5(4) . . . . ?
C84 C54 C64 F114 -76.7(4) . . . . ?
O24 C54 C74 F134 163.6(4) . . . . ?
C64 C54 C74 F134 -74.8(5) . . . . ?
C84 C54 C74 F134 44.0(5) . . . . ?
O24 C54 C74 F154 43.6(5) . . . . ?
C64 C54 C74 F154 165.2(4) . . . . ?
C84 C54 C74 F154 -76.1(4) . . . . ?
O24 C54 C74 F144 -76.0(4) . . . . ?
C64 C54 C74 F144 45.6(5) . . . . ?
C84 C54 C74 F144 164.4(4) . . . . ?
O24 C54 C84 F184 45.2(4) . . . . ?
C74 C54 C84 F184 165.4(4) . . . . ?
C64 C54 C84 F184 -74.6(4) . . . . ?
O24 C54 C84 F174 -74.4(4) . . . . ?
C74 C54 C84 F174 45.9(5) . . . . ?
C64 C54 C84 F174 165.8(4) . . . . ?
O24 C54 C84 F164 164.8(4) . . . . ?
C74 C54 C84 F164 -74.9(5) . . . . ?
C64 C54 C84 F164 45.0(5) . . . . ?
O24 C54 C65 F115 -161.5(8) . . . . ?
C85 C54 C65 F115 -40.2(10) . . . . ?
C75 C54 C65 F115 73.6(9) . . . . ?
O24 C54 C65 F125 -39.5(8) . . . . ?
C85 C54 C65 F125 81.8(9) . . . . ?
C75 C54 C65 F125 -164.3(8) . . . . ?
O24 C54 C65 F105 78.5(8) . . . . ?
C85 C54 C65 F105 -160.2(7) . . . . ?
C75 C54 C65 F105 -46.4(8) . . . . ?
O24 C54 C75 F155 -43.7(8) . . . . ?
C65 C54 C75 F155 77.3(9) . . . . ?
C85 C54 C75 F155 -165.9(8) . . . . ?
O24 C54 C75 F145 77.5(8) . . . . ?
C65 C54 C75 F145 -161.5(8) . . . . ?
C85 C54 C75 F145 -44.7(9) . . . . ?
O24 C54 C75 F135 -161.3(7) . . . . ?
C65 C54 C75 F135 -40.3(9) . . . . ?
C85 C54 C75 F135 76.5(9) . . . . ?
O24 C54 C85 F165 66.1(8) . . . . ?
C65 C54 C85 F165 -54.2(9) . . . . ?
C75 C54 C85 F165 -168.8(8) . . . . ?
O24 C54 C85 F185 -53.4(8) . . . . ?
C65 C54 C85 F185 -173.8(8) . . . . ?
C75 C54 C85 F185 71.6(8) . . . . ?
O24 C54 C85 F175 -173.8(8) . . . . ?
C65 C54 C85 F175 65.9(10) . . . . ?
C75 C54 C85 F175 -48.7(10) . . . . ?
Al4 O34 C94 C124 126.3(10) . . . . ?
Al4 O34 C94 C104 -114.2(10) . . . . ?
Al4 O34 C94 C114 5.0(12) . . . . ?
O34 C94 C104 F204 45.1(5) . . . . ?
C124 C94 C104 F204 165.3(4) . . . . ?
C114 C94 C104 F204 -76.3(5) . . . . ?
O34 C94 C104 F214 158.4(4) . . . . ?
C124 C94 C104 F214 -81.4(5) . . . . ?
C114 C94 C104 F214 37.0(5) . . . . ?
O34 C94 C104 F194 -78.5(5) . . . . ?
C124 C94 C104 F194 41.6(5) . . . . ?
C114 C94 C104 F194 160.0(4) . . . . ?
O34 C94 C114 F224 43.2(5) . . . . ?
C124 C94 C114 F224 -79.2(4) . . . . ?
C104 C94 C114 F224 161.6(4) . . . . ?
O34 C94 C114 F244 159.0(4) . . . . ?
C124 C94 C114 F244 36.6(5) . . . . ?
C104 C94 C114 F244 -82.6(5) . . . . ?
O34 C94 C114 F234 -78.1(5) . . . . ?
C124 C94 C114 F234 159.5(4) . . . . ?
C104 C94 C114 F234 40.3(5) . . . . ?
O34 C94 C124 F274 -80.1(5) . . . . ?
C104 C94 C124 F274 161.7(4) . . . . ?
C114 C94 C124 F274 43.3(5) . . . . ?
O34 C94 C124 F254 43.4(5) . . . . ?
C104 C94 C124 F254 -74.8(5) . . . . ?
C114 C94 C124 F254 166.8(4) . . . . ?
O34 C94 C124 F264 154.5(4) . . . . ?
C104 C94 C124 F264 36.4(5) . . . . ?
C114 C94 C124 F264 -82.1(5) . . . . ?
Al4 O44 C134 C144 -46.3(19) . . . . ?
Al4 O44 C134 C145 115.3(16) . . . . ?
Al4 O44 C134 C155 -115.5(17) . . . . ?
Al4 O44 C134 C165 -3.9(18) . . . . ?
Al4 O44 C134 C154 -169.9(16) . . . . ?
Al4 O44 C134 C164 80.5(17) . . . . ?
O44 C134 C144 F284 46.8(9) . . . . ?
C154 C134 C144 F284 170.4(7) . . . . ?
C164 C134 C144 F284 -78.2(8) . . . . ?
O44 C134 C144 F294 160.6(6) . . . . ?
C154 C134 C144 F294 -75.7(7) . . . . ?
C164 C134 C144 F294 35.6(7) . . . . ?
O44 C134 C144 F304 -82.9(8) . . . . ?
C154 C134 C144 F304 40.8(8) . . . . ?
C164 C134 C144 F304 152.1(7) . . . . ?
O44 C134 C154 F334 -64.3(7) . . . . ?
C144 C134 C154 F334 166.4(7) . . . . ?
C164 C134 C154 F334 49.0(7) . . . . ?
O44 C134 C154 F314 168.2(6) . . . . ?
C144 C134 C154 F314 39.0(8) . . . . ?
C164 C134 C154 F314 -78.5(7) . . . . ?
O44 C134 C154 F324 52.2(8) . . . . ?
C144 C134 C154 F324 -77.1(8) . . . . ?
C164 C134 C154 F324 165.5(7) . . . . ?
O44 C134 C164 F354 158.7(7) . . . . ?
C144 C134 C164 F354 -70.6(8) . . . . ?
C154 C134 C164 F354 44.7(8) . . . . ?
O44 C134 C164 F344 -81.7(6) . . . . ?
C144 C134 C164 F344 49.0(7) . . . . ?
C154 C134 C164 F344 164.3(6) . . . . ?
O44 C134 C164 F364 36.4(6) . . . . ?
C144 C134 C164 F364 167.1(5) . . . . ?
C154 C134 C164 F364 -77.5(6) . . . . ?
O44 C134 C145 F285 75.9(8) . . . . ?
C155 C134 C145 F285 -45.9(9) . . . . ?
C165 C134 C145 F285 -164.6(7) . . . . ?
O44 C134 C145 F295 -172.2(7) . . . . ?
C155 C134 C145 F295 66.0(9) . . . . ?
C165 C134 C145 F295 -52.7(8) . . . . ?
O44 C134 C145 F305 -54.3(9) . . . . ?
C155 C134 C145 F305 -176.1(7) . . . . ?
C165 C134 C145 F305 65.2(9) . . . . ?
O44 C134 C155 F325 -167.4(6) . . . . ?
C145 C134 C155 F325 -41.3(9) . . . . ?
C165 C134 C155 F325 78.7(7) . . . . ?
O44 C134 C155 F315 67.0(6) . . . . ?
C145 C134 C155 F315 -166.9(6) . . . . ?
C165 C134 C155 F315 -46.9(7) . . . . ?
O44 C134 C155 F335 -48.1(8) . . . . ?
C145 C134 C155 F335 78.1(9) . . . . ?
C165 C134 C155 F335 -162.0(8) . . . . ?
O44 C134 C165 F345 -154.8(7) . . . . ?
C145 C134 C165 F345 82.7(8) . . . . ?
C155 C134 C165 F345 -43.9(8) . . . . ?
O44 C134 C165 F365 -32.5(7) . . . . ?
C145 C134 C165 F365 -154.9(6) . . . . ?
C155 C134 C165 F365 78.5(7) . . . . ?
O44 C134 C165 F355 82.5(7) . . . . ?
C145 C134 C165 F355 -40.0(7) . . . . ?
C155 C134 C165 F355 -166.6(6) . . . . ?

_refine_diff_density_max         1.530
_refine_diff_density_min         -1.008
_refine_diff_density_rms         0.077





#===END
