# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_lola44as
_database_code_depnum_ccdc_archive 'CCDC 1039443'
_audit_update_record             
;
2014-12-15 deposited with the CCDC.
2015-04-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H13 Au Cl F10 N3 O4'
_chemical_formula_weight         829.79

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'
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'
F F 0.0171 0.0103 '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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   15.629(2)
_cell_length_b                   9.8536(15)
_cell_length_c                   16.354(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.680(2)
_cell_angle_gamma                90.00
_cell_volume                     2466.4(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9091
_cell_measurement_theta_min      2.4
_cell_measurement_theta_max      28

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.235
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1584
_exptl_absorpt_coefficient_mu    6.190
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3181
_exptl_absorpt_correction_T_max  0.7077
_exptl_absorpt_process_details   
;
SADABS; Area-Detector Absorption Correction. Bruker-AXS
within SAINT+ package, v. 6.02 (1999).
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART APEX CCD system'
_diffrn_measurement_method       'ω rotations with narrow frames'
_diffrn_detector_area_resol_mean 8.26
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19320
_diffrn_reflns_av_R_equivalents  0.0339
_diffrn_reflns_av_sigmaI/netI    0.0295
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.33
_diffrn_reflns_theta_max         26.00
_reflns_number_total             4838
_reflns_number_gt                4298
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART v. 5.611 (Bruker AXS, 2000)'
_computing_cell_refinement       'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_data_reduction        'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP, SHELXTL v. 6.10 (Bruker, 2000)'
_computing_publication_material  'XCIF, SHELXTL v. 6.10 (Bruker, 2000)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0157P)²+7.4113P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_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         4838
_refine_ls_number_parameters     388
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.0295
_refine_ls_R_factor_gt           0.0236
_refine_ls_wR_factor_ref         0.0560
_refine_ls_wR_factor_gt          0.0485
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_restrained_S_all      1.109
_refine_ls_shift/su_max          0.002
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.713217(10) 0.800220(16) 0.863779(10) 0.01495(6) Uani 1 1 d . . .
C1 C 0.7857(3) 0.8640(4) 0.9734(3) 0.0168(9) Uani 1 1 d . . .
C2 C 0.8754(3) 0.8669(4) 0.9920(3) 0.0187(9) Uani 1 1 d . . .
C3 C 0.9215(3) 0.9062(4) 1.0693(3) 0.0199(9) Uani 1 1 d . . .
C4 C 0.8775(3) 0.9421(4) 1.1308(3) 0.0224(10) Uani 1 1 d . . .
C5 C 0.7880(3) 0.9409(4) 1.1145(3) 0.0217(10) Uani 1 1 d . . .
C6 C 0.7431(3) 0.9047(4) 1.0360(3) 0.0195(9) Uani 1 1 d . . .
F1 F 0.92161(16) 0.8299(2) 0.93469(15) 0.0218(6) Uani 1 1 d . . .
F2 F 1.00896(16) 0.9072(3) 1.08575(16) 0.0266(6) Uani 1 1 d . . .
F3 F 0.92283(19) 0.9749(3) 1.20647(15) 0.0293(6) Uani 1 1 d . . .
F4 F 0.74452(19) 0.9724(3) 1.17451(16) 0.0299(6) Uani 1 1 d . . .
F5 F 0.65549(17) 0.9042(3) 1.02166(16) 0.0255(6) Uani 1 1 d . . .
C11 C 0.7697(3) 0.9502(4) 0.8107(2) 0.0158(9) Uani 1 1 d D . .
C12 C 0.8257(3) 0.9190(4) 0.7587(2) 0.0193(9) Uani 1 1 d D . .
C13 C 0.8647(3) 1.0155(5) 0.7185(3) 0.0210(10) Uani 1 1 d D . .
C14 C 0.8477(3) 1.1503(5) 0.7305(3) 0.0227(10) Uani 1 1 d D . .
C15 C 0.7920(3) 1.1865(4) 0.7813(3) 0.0204(9) Uani 1 1 d D . .
C16 C 0.7544(3) 1.0868(4) 0.8213(3) 0.0179(9) Uani 1 1 d D . .
F6 F 0.84352(17) 0.7872(2) 0.74608(16) 0.0251(6) Uani 1 1 d D . .
F7 F 0.91932(18) 0.9795(3) 0.66853(16) 0.0295(6) Uani 1 1 d D . .
F8 F 0.8854(2) 1.2457(3) 0.69140(17) 0.0326(7) Uani 1 1 d D . .
F9 F 0.77489(19) 1.3170(2) 0.79191(16) 0.0281(6) Uani 1 1 d D . .
F10 F 0.70024(17) 1.1258(2) 0.87148(15) 0.0240(6) Uani 1 1 d D . .
N1 N 0.6287(2) 0.7408(4) 0.7551(2) 0.0172(8) Uani 1 1 d . . .
C21 C 0.6065(3) 0.8167(4) 0.6858(3) 0.0209(9) Uani 1 1 d . . .
H21 H 0.6340 0.9021 0.6830 0.025 Uiso 1 1 calc R . .
C22 C 0.5446(3) 0.7728(4) 0.6188(3) 0.0209(10) Uani 1 1 d . . .
H22 H 0.5292 0.8280 0.5704 0.025 Uiso 1 1 calc R . .
C23 C 0.5052(3) 0.6483(5) 0.6223(3) 0.0248(10) Uani 1 1 d . . .
H23 H 0.4639 0.6154 0.5757 0.030 Uiso 1 1 calc R . .
C24 C 0.5263(3) 0.5726(5) 0.6941(3) 0.0234(10) Uani 1 1 d . . .
H24 H 0.4983 0.4881 0.6985 0.028 Uiso 1 1 calc R . .
C25 C 0.5888(3) 0.6207(4) 0.7601(3) 0.0187(9) Uani 1 1 d . . .
C26 C 0.6180(3) 0.5431(4) 0.8391(3) 0.0223(10) Uani 1 1 d . . .
H26A H 0.5688 0.4880 0.8508 0.027 Uiso 1 1 calc R . .
H26B H 0.6658 0.4806 0.8329 0.027 Uiso 1 1 calc R . .
N2 N 0.6491(2) 0.6373(4) 0.9103(2) 0.0189(8) Uani 1 1 d . . .
H2 H 0.5996 0.6731 0.9256 0.023 Uiso 1 1 calc R . .
C27 C 0.6974(3) 0.5609(4) 0.9838(3) 0.0201(9) Uani 1 1 d . . .
H27A H 0.6591 0.4890 0.9989 0.024 Uiso 1 1 calc R . .
H27B H 0.7126 0.6233 1.0320 0.024 Uiso 1 1 calc R . .
C31 C 0.7793(3) 0.4973(4) 0.9669(3) 0.0190(9) Uani 1 1 d . . .
C32 C 0.8087(3) 0.3746(5) 1.0026(3) 0.0220(10) Uani 1 1 d . . .
H32 H 0.7762 0.3264 1.0364 0.026 Uiso 1 1 calc R . .
C33 C 0.8866(3) 0.3236(5) 0.9881(3) 0.0256(10) Uani 1 1 d . . .
H33 H 0.9093 0.2405 1.0128 0.031 Uiso 1 1 calc R . .
C34 C 0.9309(3) 0.3948(5) 0.9373(3) 0.0244(10) Uani 1 1 d . . .
H34 H 0.9847 0.3619 0.9265 0.029 Uiso 1 1 calc R . .
C35 C 0.8958(3) 0.5142(4) 0.9027(3) 0.0203(9) Uani 1 1 d . . .
H35 H 0.9261 0.5622 0.8670 0.024 Uiso 1 1 calc R . .
N3 N 0.8214(2) 0.5665(4) 0.9165(2) 0.0199(8) Uani 1 1 d . . .
Cl1 Cl 0.42050(7) 0.72902(11) 0.88617(7) 0.0243(2) Uani 1 1 d . . .
O1 O 0.4986(2) 0.8064(3) 0.9173(2) 0.0290(7) Uani 1 1 d . . .
O2 O 0.4397(3) 0.5906(4) 0.9088(3) 0.0536(12) Uani 1 1 d . . .
O3 O 0.3508(3) 0.7769(4) 0.9226(3) 0.0450(10) Uani 1 1 d . . .
O4 O 0.3998(3) 0.7452(5) 0.7975(2) 0.0560(12) Uani 1 1 d . . .


_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 2.006(4) . y
Au1 C1 2.018(4) . y
Au1 N1 2.073(4) . y
Au1 N2 2.115(4) . y
C1 C2 1.372(6) . ?
C1 C6 1.388(6) . ?
C2 F1 1.345(5) . ?
C2 C3 1.378(6) . ?
C3 F2 1.338(5) . ?
C3 C4 1.374(6) . ?
C4 F3 1.335(5) . ?
C4 C5 1.370(7) . ?
C5 F4 1.338(5) . ?
C5 C6 1.379(6) . ?
C6 F5 1.342(5) . ?
C11 C12 1.373(6) . ?
C11 C16 1.385(6) . ?
C12 F6 1.353(5) . ?
C12 C13 1.367(6) . ?
C13 F7 1.343(5) . ?
C13 C14 1.377(6) . ?
C14 F8 1.339(5) . ?
C14 C15 1.366(6) . ?
C15 F9 1.332(5) . ?
C15 C16 1.377(6) . ?
C16 F10 1.348(5) . ?
N1 C21 1.343(6) . ?
N1 C25 1.348(5) . ?
C21 C22 1.376(6) . ?
C22 C23 1.379(6) . ?
C23 C24 1.375(7) . ?
C24 C25 1.384(6) . ?
C25 C26 1.491(6) . ?
C26 N2 1.491(5) . ?
N2 C27 1.488(5) . ?
C27 C31 1.501(6) . ?
C31 N3 1.340(6) . ?
C31 C32 1.381(6) . ?
C32 C33 1.381(6) . ?
C33 C34 1.376(7) . ?
C34 C35 1.371(6) . ?
C35 N3 1.331(6) . ?
Cl1 O3 1.423(4) . ?
Cl1 O4 1.429(4) . ?
Cl1 O2 1.429(4) . ?
Cl1 O1 1.442(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C11 Au1 C1 86.47(16) . . y
C11 Au1 N1 95.53(15) . . y
C1 Au1 N1 174.73(16) . . y
C11 Au1 N2 175.57(15) . . y
C1 Au1 N2 97.94(15) . . y
N1 Au1 N2 80.11(14) . . y
C2 C1 C6 116.8(4) . . ?
C2 C1 Au1 124.6(3) . . ?
C6 C1 Au1 118.6(3) . . ?
F1 C2 C1 120.6(4) . . ?
F1 C2 C3 117.4(4) . . ?
C1 C2 C3 122.1(4) . . ?
F2 C3 C4 119.6(4) . . ?
F2 C3 C2 120.7(4) . . ?
C4 C3 C2 119.8(4) . . ?
F3 C4 C5 120.8(4) . . ?
F3 C4 C3 119.3(4) . . ?
C5 C4 C3 119.9(4) . . ?
F4 C5 C4 120.3(4) . . ?
F4 C5 C6 120.3(4) . . ?
C4 C5 C6 119.3(4) . . ?
F5 C6 C5 118.1(4) . . ?
F5 C6 C1 119.7(4) . . ?
C5 C6 C1 122.1(4) . . ?
C12 C11 C16 116.3(4) . . ?
C12 C11 Au1 119.7(3) . . ?
C16 C11 Au1 124.0(3) . . ?
F6 C12 C13 117.9(4) . . ?
F6 C12 C11 119.1(4) . . ?
C13 C12 C11 123.0(4) . . ?
F7 C13 C12 120.6(4) . . ?
F7 C13 C14 120.4(4) . . ?
C12 C13 C14 119.0(4) . . ?
F8 C14 C15 120.3(4) . . ?
F8 C14 C13 119.5(4) . . ?
C15 C14 C13 120.2(4) . . ?
F9 C15 C14 120.0(4) . . ?
F9 C15 C16 120.7(4) . . ?
C14 C15 C16 119.3(4) . . ?
F10 C16 C15 117.8(4) . . ?
F10 C16 C11 120.0(4) . . ?
C15 C16 C11 122.2(4) . . ?
C21 N1 C25 119.7(4) . . ?
C21 N1 Au1 125.3(3) . . ?
C25 N1 Au1 114.7(3) . . ?
N1 C21 C22 121.1(4) . . ?
C21 C22 C23 119.6(4) . . ?
C24 C23 C22 119.1(4) . . ?
C23 C24 C25 119.3(4) . . ?
N1 C25 C24 121.0(4) . . ?
N1 C25 C26 116.0(4) . . ?
C24 C25 C26 122.9(4) . . ?
N2 C26 C25 110.6(4) . . ?
C27 N2 C26 110.4(3) . . ?
C27 N2 Au1 118.4(3) . . ?
C26 N2 Au1 107.1(3) . . ?
N2 C27 C31 112.0(3) . . ?
N3 C31 C32 122.9(4) . . ?
N3 C31 C27 116.4(4) . . ?
C32 C31 C27 120.7(4) . . ?
C33 C32 C31 118.4(4) . . ?
C34 C33 C32 119.2(4) . . ?
C35 C34 C33 118.5(4) . . ?
N3 C35 C34 123.5(4) . . ?
C35 N3 C31 117.5(4) . . ?
O3 Cl1 O4 110.7(3) . . ?
O3 Cl1 O2 110.2(2) . . ?
O4 Cl1 O2 111.2(3) . . ?
O3 Cl1 O1 110.0(2) . . ?
O4 Cl1 O1 107.5(2) . . ?
O2 Cl1 O1 107.2(2) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.826
_refine_diff_density_min         -0.850
_refine_diff_density_rms         0.120
####################################################################### 
# 
# 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_lola43as
_database_code_depnum_ccdc_archive 'CCDC 1039444'
_audit_update_record             
;
2014-12-15 deposited with the CCDC.
2015-04-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H26 Au Cl F10 N4 O5'
_chemical_formula_weight         1041.04

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'
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'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.1961(16)
_cell_length_b                   11.368(2)
_cell_length_c                   20.475(4)
_cell_angle_alpha                97.15(3)
_cell_angle_beta                 101.31(3)
_cell_angle_gamma                101.21(3)
_cell_volume                     1808.6(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5894
_cell_measurement_theta_min      2.2
_cell_measurement_theta_max      27.9

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.912
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1016
_exptl_absorpt_coefficient_mu    4.245
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4290
_exptl_absorpt_correction_T_max  0.7276
_exptl_absorpt_process_details   
;
SADABS; Area-Detector Absorption Correction. Bruker-AXS
within SAINT+ package, v. 6.02 (1999).
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART APEX CCD system'
_diffrn_measurement_method       'ω rotations with narrow frames'
_diffrn_detector_area_resol_mean 8.26
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            12983
_diffrn_reflns_av_R_equivalents  0.0403
_diffrn_reflns_av_sigmaI/netI    0.0665
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.03
_diffrn_reflns_theta_max         26.00
_reflns_number_total             6962
_reflns_number_gt                6087
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART v. 5.611 (Bruker AXS, 2000)'
_computing_cell_refinement       'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_data_reduction        'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP, SHELXTL v. 6.10 (Bruker, 2000)'
_computing_publication_material  'XCIF, SHELXTL v. 6.10 (Bruker, 2000)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0499P)²+9.2985P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_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         6962
_refine_ls_number_parameters     534
_refine_ls_number_restraints     102
_refine_ls_R_factor_all          0.0615
_refine_ls_R_factor_gt           0.0515
_refine_ls_wR_factor_ref         0.1178
_refine_ls_wR_factor_gt          0.1136
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_restrained_S_all      1.095
_refine_ls_shift/su_max          0.000
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.79218(4) 0.45488(3) 0.244139(14) 0.01695(10) Uani 1 1 d . . .
C1 C 0.9127(9) 0.5665(6) 0.3328(4) 0.0184(14) Uani 1 1 d U . .
C2 C 0.8754(10) 0.5516(7) 0.3948(4) 0.0251(16) Uani 1 1 d U . .
C3 C 0.9509(11) 0.6369(8) 0.4521(4) 0.0285(17) Uani 1 1 d U . .
C4 C 1.0652(11) 0.7390(7) 0.4487(4) 0.0277(17) Uani 1 1 d U . .
C5 C 1.1114(11) 0.7552(8) 0.3883(4) 0.0308(18) Uani 1 1 d U . .
C6 C 1.0322(10) 0.6680(7) 0.3319(4) 0.0241(16) Uani 1 1 d U . .
F1 F 0.7609(6) 0.4553(4) 0.4015(2) 0.0282(10) Uani 1 1 d . . .
F2 F 0.9119(7) 0.6201(5) 0.5117(2) 0.0382(12) Uani 1 1 d . . .
F3 F 1.1393(7) 0.8234(5) 0.5044(3) 0.0412(13) Uani 1 1 d . . .
F4 F 1.2240(6) 0.8540(4) 0.3847(3) 0.0364(12) Uani 1 1 d . . .
F5 F 1.0774(6) 0.6887(4) 0.2735(2) 0.0274(10) Uani 1 1 d . . .
C11 C 0.8549(9) 0.3103(7) 0.2868(4) 0.0201(15) Uani 1 1 d U . .
C12 C 1.0139(10) 0.2864(7) 0.2953(4) 0.0212(15) Uani 1 1 d U . .
C13 C 1.0606(10) 0.1949(7) 0.3277(4) 0.0247(16) Uani 1 1 d U . .
C14 C 0.9402(10) 0.1235(7) 0.3544(4) 0.0231(16) Uani 1 1 d U . .
C15 C 0.7795(10) 0.1434(7) 0.3451(4) 0.0241(16) Uani 1 1 d U . .
C16 C 0.7367(10) 0.2341(7) 0.3128(4) 0.0211(15) Uani 1 1 d U . .
F6 F 1.1320(6) 0.3538(4) 0.2696(2) 0.0279(10) Uani 1 1 d . . .
F7 F 1.2162(6) 0.1752(5) 0.3342(3) 0.0359(12) Uani 1 1 d . . .
F8 F 0.9827(7) 0.0335(4) 0.3852(3) 0.0364(12) Uani 1 1 d . . .
F9 F 0.6599(6) 0.0719(4) 0.3689(2) 0.0294(11) Uani 1 1 d . . .
F10 F 0.5770(5) 0.2514(4) 0.3056(2) 0.0248(10) Uani 1 1 d . . .
N1 N 0.6969(8) 0.3480(5) 0.1481(3) 0.0170(12) Uani 1 1 d U . .
C21 C 0.5940(9) 0.2361(6) 0.1354(4) 0.0199(15) Uani 1 1 d U . .
H21 H 0.5521 0.2047 0.1713 0.024 Uiso 1 1 calc R . .
C22 C 0.5475(10) 0.1660(7) 0.0725(4) 0.0235(16) Uani 1 1 d U . .
H22 H 0.4758 0.0869 0.0649 0.028 Uiso 1 1 calc R . .
C23 C 0.6069(10) 0.2126(7) 0.0207(4) 0.0219(15) Uani 1 1 d U . .
H23 H 0.5778 0.1654 -0.0233 0.026 Uiso 1 1 calc R . .
C24 C 0.7091(10) 0.3284(7) 0.0328(4) 0.0217(15) Uani 1 1 d U . .
H24 H 0.7496 0.3619 -0.0028 0.026 Uiso 1 1 calc R . .
C25 C 0.7519(9) 0.3954(7) 0.0975(4) 0.0181(14) Uani 1 1 d U . .
C26 C 0.8575(9) 0.5234(6) 0.1141(4) 0.0176(14) Uani 1 1 d U . .
H26A H 0.9635 0.5271 0.1480 0.021 Uiso 1 1 calc R . .
H26B H 0.8901 0.5480 0.0729 0.021 Uiso 1 1 calc R . .
N2 N 0.7628(8) 0.6082(5) 0.1409(3) 0.0192(13) Uani 1 1 d U . .
C27 C 0.6844(9) 0.6815(6) 0.0949(4) 0.0190(15) Uani 1 1 d U . .
H27A H 0.5646 0.6760 0.0986 0.023 Uiso 1 1 calc R . .
H27B H 0.6826 0.6469 0.0479 0.023 Uiso 1 1 calc R . .
C31 C 0.7772(9) 0.8147(7) 0.1093(4) 0.0209(15) Uani 1 1 d U . .
N3 N 0.7455(9) 0.8816(6) 0.1630(3) 0.0231(14) Uani 1 1 d U . .
C33 C 0.8202(11) 0.9984(7) 0.1769(4) 0.0279(17) Uani 1 1 d U . .
H33 H 0.7971 1.0468 0.2139 0.034 Uiso 1 1 calc R . .
C34 C 0.9292(11) 1.0544(7) 0.1413(4) 0.0296(18) Uani 1 1 d U . .
H34 H 0.9797 1.1389 0.1534 0.036 Uiso 1 1 calc R . .
C35 C 0.9636(11) 0.9854(7) 0.0877(4) 0.0311(18) Uani 1 1 d U . .
H35 H 1.0397 1.0210 0.0623 0.037 Uiso 1 1 calc R . .
C36 C 0.8854(11) 0.8637(7) 0.0716(4) 0.0283(17) Uani 1 1 d U . .
H36 H 0.9062 0.8140 0.0346 0.034 Uiso 1 1 calc R . .
C37 C 0.7280(9) 0.5991(6) 0.2008(4) 0.0166(14) Uani 1 1 d U . .
N4 N 0.6556(8) 0.6809(5) 0.2293(3) 0.0178(12) Uani 1 1 d U . .
H4 H 0.6418 0.7433 0.2090 0.021 Uiso 1 1 calc R . .
C41 C 0.5985(9) 0.6739(6) 0.2908(3) 0.0160(14) Uani 1 1 d U . .
C42 C 0.4882(11) 0.5653(8) 0.2966(4) 0.0321(18) Uani 1 1 d U . .
H42 H 0.4474 0.5008 0.2591 0.038 Uiso 1 1 calc R . .
C43 C 0.4393(12) 0.5531(8) 0.3574(5) 0.037(2) Uani 1 1 d U . .
H43 H 0.3705 0.4787 0.3624 0.044 Uiso 1 1 calc R . .
C44 C 0.4916(11) 0.6493(8) 0.4096(5) 0.0316(17) Uani 1 1 d U . .
C45 C 0.4421(12) 0.6396(8) 0.4741(5) 0.038(2) Uani 1 1 d U . .
H45 H 0.3713 0.5668 0.4800 0.045 Uiso 1 1 calc R . .
C46 C 0.4975(13) 0.7342(9) 0.5241(5) 0.042(2) Uani 1 1 d U . .
H46 H 0.4664 0.7269 0.5660 0.051 Uiso 1 1 calc R . .
C47 C 0.6003(13) 0.8449(8) 0.5176(5) 0.038(2) Uani 1 1 d U . .
H47 H 0.6344 0.9113 0.5541 0.045 Uiso 1 1 calc R . .
C48 C 0.6502(12) 0.8560(8) 0.4589(5) 0.036(2) Uani 1 1 d U . .
H48 H 0.7225 0.9296 0.4548 0.043 Uiso 1 1 calc R . .
C49 C 0.5954(11) 0.7588(7) 0.4040(4) 0.0272(17) Uani 1 1 d U . .
C50 C 0.6502(12) 0.7708(8) 0.3415(4) 0.0322(18) Uani 1 1 d U . .
H50 H 0.7204 0.8445 0.3364 0.039 Uiso 1 1 calc R . .
Cl1 Cl 0.2345(2) 0.39735(16) 0.09230(9) 0.0213(4) Uani 1 1 d . . .
O1 O 0.2141(9) 0.2728(6) 0.0975(4) 0.0516(19) Uani 1 1 d . . .
O2 O 0.3962(7) 0.4388(6) 0.0761(4) 0.0451(18) Uani 1 1 d . . .
O3 O 0.1027(8) 0.4131(6) 0.0388(3) 0.0397(16) Uani 1 1 d . . .
O4 O 0.2283(10) 0.4674(7) 0.1534(3) 0.056(2) Uani 1 1 d . . .
C61 C 0.2451(13) 0.7642(8) 0.1547(5) 0.040(2) Uani 1 1 d U . .
H61A H 0.1234 0.7475 0.1550 0.060 Uiso 1 1 calc R . .
H61B H 0.3046 0.7220 0.1875 0.060 Uiso 1 1 calc R . .
H61C H 0.2592 0.7353 0.1095 0.060 Uiso 1 1 calc R . .
C62 C 0.3166(11) 0.8944(8) 0.1729(5) 0.034(2) Uani 1 1 d U . .
C63 C 0.3107(16) 0.9524(9) 0.2418(5) 0.055(3) Uani 1 1 d U . .
H63A H 0.3787 0.9175 0.2760 0.083 Uiso 1 1 calc R . .
H63B H 0.1921 0.9376 0.2466 0.083 Uiso 1 1 calc R . .
H63C H 0.3574 1.0403 0.2479 0.083 Uiso 1 1 calc R . .
O5 O 0.3788(9) 0.9527(6) 0.1355(4) 0.0505(18) Uani 1 1 d . . .


_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 2.030(7) . y
Au1 C11 2.059(8) . y
Au1 C37 2.066(7) . y
Au1 N1 2.094(6) . y
C1 C6 1.366(11) . ?
C1 C2 1.384(11) . ?
C2 F1 1.337(9) . ?
C2 C3 1.378(11) . ?
C3 F2 1.347(10) . ?
C3 C4 1.361(12) . ?
C4 F3 1.349(8) . ?
C4 C5 1.386(13) . ?
C5 F4 1.327(10) . ?
C5 C6 1.381(11) . ?
C6 F5 1.353(9) . ?
C11 C12 1.365(11) . ?
C11 C16 1.401(10) . ?
C12 F6 1.346(9) . ?
C12 C13 1.377(11) . ?
C13 F7 1.322(9) . ?
C13 C14 1.393(11) . ?
C14 F8 1.334(9) . ?
C14 C15 1.361(11) . ?
C15 F9 1.355(9) . ?
C15 C16 1.357(11) . ?
C16 F10 1.344(9) . ?
N1 C25 1.341(9) . ?
N1 C21 1.346(9) . ?
C21 C22 1.368(10) . ?
C22 C23 1.374(11) . ?
C23 C24 1.380(11) . ?
C24 C25 1.384(10) . ?
C25 C26 1.501(10) . ?
C26 N2 1.469(9) . ?
N2 C37 1.324(9) . y
N2 C27 1.469(9) . y
C27 C31 1.520(10) . ?
C31 N3 1.354(10) . ?
C31 C36 1.371(11) . ?
N3 C33 1.320(10) . ?
C33 C34 1.373(12) . ?
C34 C35 1.376(12) . ?
C35 C36 1.375(11) . ?
C37 N4 1.332(9) . y
N4 C41 1.434(9) . y
C41 C50 1.354(11) . ?
C41 C42 1.413(11) . ?
C42 C43 1.394(13) . ?
C43 C44 1.368(13) . ?
C44 C49 1.395(12) . ?
C44 C45 1.466(13) . ?
C45 C46 1.328(13) . ?
C46 C47 1.408(13) . ?
C47 C48 1.356(13) . ?
C48 C49 1.409(11) . ?
C49 C50 1.450(12) . ?
Cl1 O4 1.412(7) . ?
Cl1 O1 1.413(7) . ?
Cl1 O2 1.435(6) . ?
Cl1 O3 1.435(6) . ?
C61 C62 1.453(13) . ?
C62 O5 1.197(11) . ?
C62 C63 1.495(14) . ?

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 C11 88.9(3) . . y
C1 Au1 C37 91.5(3) . . y
C11 Au1 C37 179.6(3) . . y
C1 Au1 N1 172.4(3) . . y
C11 Au1 N1 92.5(3) . . y
C37 Au1 N1 87.1(3) . . y
C6 C1 C2 116.6(7) . . ?
C6 C1 Au1 118.7(6) . . ?
C2 C1 Au1 124.6(6) . . ?
F1 C2 C3 116.8(7) . . ?
F1 C2 C1 121.5(7) . . ?
C3 C2 C1 121.7(8) . . ?
F2 C3 C4 119.6(7) . . ?
F2 C3 C2 120.4(8) . . ?
C4 C3 C2 120.0(8) . . ?
F3 C4 C3 120.5(8) . . ?
F3 C4 C5 119.2(8) . . ?
C3 C4 C5 120.2(7) . . ?
F4 C5 C6 121.4(8) . . ?
F4 C5 C4 120.5(7) . . ?
C6 C5 C4 118.0(8) . . ?
F5 C6 C1 120.3(7) . . ?
F5 C6 C5 116.2(7) . . ?
C1 C6 C5 123.4(8) . . ?
C12 C11 C16 115.8(7) . . ?
C12 C11 Au1 123.1(6) . . ?
C16 C11 Au1 121.0(5) . . ?
F6 C12 C11 118.9(7) . . ?
F6 C12 C13 117.5(7) . . ?
C11 C12 C13 123.7(7) . . ?
F7 C13 C12 121.3(7) . . ?
F7 C13 C14 120.2(7) . . ?
C12 C13 C14 118.5(7) . . ?
F8 C14 C15 121.7(7) . . ?
F8 C14 C13 119.3(7) . . ?
C15 C14 C13 119.0(7) . . ?
F9 C15 C16 119.3(7) . . ?
F9 C15 C14 119.4(7) . . ?
C16 C15 C14 121.3(7) . . ?
F10 C16 C15 119.2(7) . . ?
F10 C16 C11 119.1(6) . . ?
C15 C16 C11 121.7(7) . . ?
C25 N1 C21 119.6(6) . . ?
C25 N1 Au1 115.5(5) . . ?
C21 N1 Au1 124.8(5) . . ?
N1 C21 C22 122.3(7) . . ?
C21 C22 C23 118.5(7) . . ?
C22 C23 C24 119.7(7) . . ?
C23 C24 C25 119.4(7) . . ?
N1 C25 C24 120.6(7) . . ?
N1 C25 C26 117.0(6) . . ?
C24 C25 C26 122.5(7) . . ?
N2 C26 C25 111.1(6) . . ?
C37 N2 C26 117.8(6) . . ?
C37 N2 C27 123.1(6) . . ?
C26 N2 C27 118.0(6) . . ?
N2 C27 C31 113.3(6) . . ?
N3 C31 C36 122.3(7) . . ?
N3 C31 C27 114.7(7) . . ?
C36 C31 C27 123.0(7) . . ?
C33 N3 C31 117.2(7) . . ?
N3 C33 C34 123.9(8) . . ?
C33 C34 C35 118.6(7) . . ?
C36 C35 C34 118.5(8) . . ?
C31 C36 C35 119.4(8) . . ?
N2 C37 N4 119.5(7) . . y
N2 C37 Au1 116.3(5) . . y
N4 C37 Au1 124.1(5) . . y
C37 N4 C41 124.2(6) . . ?
C50 C41 C42 121.8(7) . . ?
C50 C41 N4 119.5(7) . . ?
C42 C41 N4 118.7(6) . . ?
C43 C42 C41 119.9(8) . . ?
C44 C43 C42 119.2(9) . . ?
C43 C44 C49 121.6(8) . . ?
C43 C44 C45 120.7(8) . . ?
C49 C44 C45 117.7(8) . . ?
C46 C45 C44 119.1(9) . . ?
C45 C46 C47 122.8(9) . . ?
C48 C47 C46 119.5(9) . . ?
C47 C48 C49 120.3(9) . . ?
C44 C49 C48 120.7(8) . . ?
C44 C49 C50 119.3(8) . . ?
C48 C49 C50 120.0(8) . . ?
C41 C50 C49 118.0(8) . . ?
O4 Cl1 O1 111.2(5) . . ?
O4 Cl1 O2 109.5(5) . . ?
O1 Cl1 O2 108.6(4) . . ?
O4 Cl1 O3 109.3(4) . . ?
O1 Cl1 O3 109.9(4) . . ?
O2 Cl1 O3 108.2(4) . . ?
O5 C62 C61 122.5(9) . . ?
O5 C62 C63 121.2(9) . . ?
C61 C62 C63 116.3(8) . . ?

_diffrn_measured_fraction_theta_max 0.981
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.981
_refine_diff_density_max         2.419
_refine_diff_density_min         -3.532
_refine_diff_density_rms         0.188
####################################################################### 
# 
# 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_lola42as
_database_code_depnum_ccdc_archive 'CCDC 1039445'
_audit_update_record             
;
2014-12-15 deposited with the CCDC.
2015-04-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H30 Au Cl F10 N4 O5'
_chemical_formula_weight         997.04

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'
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.010(2)
_cell_length_b                   13.750(3)
_cell_length_c                   13.960(3)
_cell_angle_alpha                84.66(3)
_cell_angle_beta                 70.66(3)
_cell_angle_gamma                79.31(3)
_cell_volume                     1780.5(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9926
_cell_measurement_theta_min      2.2
_cell_measurement_theta_max      28

_exptl_crystal_description       rhomboid-prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.860
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             976
_exptl_absorpt_coefficient_mu    4.307
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5457
_exptl_absorpt_correction_T_max  0.5457
_exptl_absorpt_process_details   
;
SADABS; Area-Detector Absorption Correction. Bruker-AXS
within SAINT+ package, v. 6.02 (1999).
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART APEX CCD system'
_diffrn_measurement_method       'ω rotations with narrow frames'
_diffrn_detector_area_resol_mean 8.26
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            14758
_diffrn_reflns_av_R_equivalents  0.0153
_diffrn_reflns_av_sigmaI/netI    0.0214
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.51
_diffrn_reflns_theta_max         26.00
_reflns_number_total             6936
_reflns_number_gt                6674
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART v. 5.611 (Bruker AXS, 2000)'
_computing_cell_refinement       'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_data_reduction        'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP, SHELXTL v. 6.10 (Bruker, 2000)'
_computing_publication_material  'XCIF, SHELXTL v. 6.10 (Bruker, 2000)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0309P)²+1.3722P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_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         6936
_refine_ls_number_parameters     478
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0209
_refine_ls_R_factor_gt           0.0199
_refine_ls_wR_factor_ref         0.0500
_refine_ls_wR_factor_gt          0.0495
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.002
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.782876(9) 0.389232(6) 0.192621(7) 0.01183(4) Uani 1 1 d . . .
F1 F 0.76277(16) 0.56928(12) 0.03902(12) 0.0210(3) Uani 1 1 d . . .
F2 F 0.54296(18) 0.67947(12) -0.01399(13) 0.0250(4) Uani 1 1 d . . .
F3 F 0.27207(17) 0.63814(13) 0.07102(13) 0.0266(4) Uani 1 1 d . . .
F4 F 0.21938(16) 0.48766(13) 0.21673(12) 0.0249(4) Uani 1 1 d . . .
F5 F 0.43555(17) 0.38298(12) 0.27640(12) 0.0214(3) Uani 1 1 d . . .
F6 F 0.57722(16) 0.49671(12) 0.39445(12) 0.0218(3) Uani 1 1 d . . .
F7 F 0.60319(18) 0.65407(12) 0.48696(12) 0.0260(4) Uani 1 1 d . . .
F8 F 0.82671(18) 0.75539(12) 0.39800(13) 0.0258(4) Uani 1 1 d . . .
F9 F 1.02448(17) 0.69795(12) 0.21672(13) 0.0237(4) Uani 1 1 d . . .
F10 F 1.00506(15) 0.53649(11) 0.12663(11) 0.0166(3) Uani 1 1 d . . .
N1 N 1.0716(2) 0.27483(16) 0.13047(16) 0.0147(4) Uani 1 1 d . . .
N2 N 0.9918(2) 0.29564(16) 0.30387(16) 0.0157(4) Uani 1 1 d . . .
H2 H 1.0787 0.2695 0.3045 0.019 Uiso 1 1 calc R . .
N3 N 0.7838(2) 0.26273(16) 0.11995(17) 0.0154(4) Uani 1 1 d . . .
C1 C 0.6079(3) 0.47099(19) 0.1589(2) 0.0144(5) Uani 1 1 d . . .
C2 C 0.6284(3) 0.5485(2) 0.0863(2) 0.0163(5) Uani 1 1 d . . .
C3 C 0.5175(3) 0.60592(19) 0.0578(2) 0.0168(5) Uani 1 1 d . . .
C4 C 0.3792(3) 0.5853(2) 0.1012(2) 0.0193(6) Uani 1 1 d . . .
C5 C 0.3534(3) 0.5089(2) 0.1743(2) 0.0178(5) Uani 1 1 d . . .
C6 C 0.4666(3) 0.45507(19) 0.20262(19) 0.0161(5) Uani 1 1 d . . .
C11 C 0.7923(3) 0.51096(18) 0.25881(19) 0.0133(5) Uani 1 1 d . . .
C12 C 0.6900(3) 0.5451(2) 0.3495(2) 0.0168(5) Uani 1 1 d . . .
C13 C 0.7010(3) 0.6254(2) 0.3979(2) 0.0178(5) Uani 1 1 d . . .
C14 C 0.8145(3) 0.6766(2) 0.3533(2) 0.0190(6) Uani 1 1 d . . .
C15 C 0.9160(3) 0.6467(2) 0.2611(2) 0.0176(5) Uani 1 1 d . . .
C16 C 0.9039(3) 0.56463(19) 0.21620(19) 0.0143(5) Uani 1 1 d . . .
C21 C 0.6704(3) 0.2138(2) 0.1430(2) 0.0208(6) Uani 1 1 d . . .
H21 H 0.5824 0.2396 0.1922 0.025 Uiso 1 1 calc R . .
C22 C 0.6807(3) 0.1272(2) 0.0962(2) 0.0257(6) Uani 1 1 d . . .
H22 H 0.6016 0.0925 0.1145 0.031 Uiso 1 1 calc R . .
C23 C 0.8086(3) 0.0914(2) 0.0218(2) 0.0251(6) Uani 1 1 d . . .
H23 H 0.8168 0.0327 -0.0121 0.030 Uiso 1 1 calc R . .
C24 C 0.9241(3) 0.1420(2) -0.0028(2) 0.0209(6) Uani 1 1 d . . .
H24 H 1.0112 0.1192 -0.0544 0.025 Uiso 1 1 calc R . .
C25 C 0.9100(3) 0.22666(19) 0.0495(2) 0.0159(5) Uani 1 1 d . . .
C26 C 1.0336(3) 0.2817(2) 0.0360(2) 0.0165(5) Uani 1 1 d . . .
H26A H 1.1181 0.2532 -0.0202 0.020 Uiso 1 1 calc R . .
H26B H 1.0060 0.3522 0.0179 0.020 Uiso 1 1 calc R . .
C27 C 1.1967(3) 0.20067(19) 0.1348(2) 0.0166(5) Uani 1 1 d . . .
H27A H 1.2432 0.2247 0.1785 0.020 Uiso 1 1 calc R . .
H27B H 1.2672 0.1932 0.0657 0.020 Uiso 1 1 calc R . .
C31 C 1.1551(3) 0.0992(2) 0.1766(2) 0.0177(5) Uani 1 1 d . . .
C32 C 1.2621(3) 0.0192(2) 0.1801(2) 0.0238(6) Uani 1 1 d . . .
H32 H 1.3602 0.0268 0.1571 0.029 Uiso 1 1 calc R . .
C33 C 1.2219(4) -0.0721(2) 0.2179(2) 0.0290(7) Uani 1 1 d . . .
H33 H 1.2922 -0.1280 0.2213 0.035 Uiso 1 1 calc R . .
C34 C 1.0774(4) -0.0800(2) 0.2504(2) 0.0280(7) Uani 1 1 d . . .
H34 H 1.0469 -0.1413 0.2768 0.034 Uiso 1 1 calc R . .
C35 C 0.9786(3) 0.0030(2) 0.2438(2) 0.0249(6) Uani 1 1 d . . .
H35 H 0.8800 -0.0034 0.2656 0.030 Uiso 1 1 calc R . .
N4 N 1.0144(3) 0.09265(17) 0.20803(18) 0.0200(5) Uani 1 1 d . . .
C37 C 0.9704(3) 0.31138(18) 0.2147(2) 0.0138(5) Uani 1 1 d . . .
C41 C 0.8791(3) 0.31912(19) 0.40278(19) 0.0160(5) Uani 1 1 d . . .
H41 H 0.7907 0.3549 0.3886 0.019 Uiso 1 1 calc R . .
C42 C 0.9241(3) 0.3874(2) 0.4627(2) 0.0213(6) Uani 1 1 d . . .
H42A H 0.9445 0.4491 0.4222 0.026 Uiso 1 1 calc R . .
H42B H 1.0127 0.3544 0.4768 0.026 Uiso 1 1 calc R . .
C43 C 0.8036(3) 0.4124(2) 0.5632(2) 0.0268(7) Uani 1 1 d . . .
H43A H 0.7187 0.4520 0.5487 0.032 Uiso 1 1 calc R . .
H43B H 0.8360 0.4531 0.6035 0.032 Uiso 1 1 calc R . .
C44 C 0.7609(3) 0.3181(2) 0.6257(2) 0.0263(6) Uani 1 1 d . . .
H44A H 0.8422 0.2827 0.6474 0.032 Uiso 1 1 calc R . .
H44B H 0.6786 0.3367 0.6874 0.032 Uiso 1 1 calc R . .
C45 C 0.7201(3) 0.2494(2) 0.5634(2) 0.0253(6) Uani 1 1 d . . .
H45A H 0.6326 0.2823 0.5478 0.030 Uiso 1 1 calc R . .
H45B H 0.6984 0.1879 0.6039 0.030 Uiso 1 1 calc R . .
C46 C 0.8423(3) 0.2234(2) 0.4638(2) 0.0221(6) Uani 1 1 d . . .
H46A H 0.9280 0.1861 0.4789 0.027 Uiso 1 1 calc R . .
H46B H 0.8124 0.1812 0.4235 0.027 Uiso 1 1 calc R . .
Cl1 Cl 0.37143(7) 0.14301(5) 0.80666(5) 0.02210(14) Uani 1 1 d . . .
O1 O 0.4640(3) 0.07702(19) 0.72889(19) 0.0422(6) Uani 1 1 d . . .
O2 O 0.2254(2) 0.15374(19) 0.8061(2) 0.0398(6) Uani 1 1 d . . .
O3 O 0.4163(3) 0.23837(18) 0.7887(2) 0.0432(6) Uani 1 1 d . . .
O4 O 0.3782(3) 0.10180(17) 0.90464(17) 0.0380(6) Uani 1 1 d . . .
C51 C 0.6893(3) 0.8713(2) 0.5989(2) 0.0245(6) Uiso 1 1 d . . .
C52 C 0.5459(4) 0.8721(3) 0.5855(3) 0.0340(7) Uiso 1 1 d . . .
H52A H 0.5148 0.8080 0.6085 0.051 Uiso 1 1 calc R . .
H52B H 0.5544 0.8843 0.5135 0.051 Uiso 1 1 calc R . .
H52C H 0.4751 0.9247 0.6256 0.051 Uiso 1 1 calc R . .
C53 C 0.7678(4) 0.9554(3) 0.5480(3) 0.0380(8) Uiso 1 1 d . . .
H53A H 0.8498 0.9542 0.5719 0.057 Uiso 1 1 calc R . .
H53B H 0.7026 1.0185 0.5647 0.057 Uiso 1 1 calc R . .
H53C H 0.8021 0.9482 0.4742 0.057 Uiso 1 1 calc R . .
O5 O 0.7387(2) 0.80659(17) 0.64941(17) 0.0330(5) Uiso 1 1 d . . .


_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 2.017(3) . y
Au1 C1 2.067(3) . y
Au1 C37 2.084(3) . y
Au1 N3 2.091(2) . y
F1 C2 1.358(3) . ?
F2 C3 1.353(3) . ?
F3 C4 1.345(3) . ?
F4 C5 1.350(3) . ?
F5 C6 1.361(3) . ?
F6 C12 1.358(3) . ?
F7 C13 1.342(3) . ?
F8 C14 1.343(3) . ?
F9 C15 1.348(3) . ?
F10 C16 1.358(3) . ?
N1 C37 1.339(3) . y
N1 C27 1.475(3) . y
N1 C26 1.479(3) . y
N2 C37 1.323(3) . y
N2 C41 1.483(3) . y
N2 H2 0.8800 . ?
N3 C25 1.358(4) . ?
N3 C21 1.359(4) . ?
C1 C6 1.392(4) . ?
C1 C2 1.396(4) . ?
C2 C3 1.386(4) . ?
C3 C4 1.386(4) . ?
C4 C5 1.392(4) . ?
C5 C6 1.385(4) . ?
C11 C16 1.389(4) . ?
C11 C12 1.394(4) . ?
C12 C13 1.386(4) . ?
C13 C14 1.386(4) . ?
C14 C15 1.391(4) . ?
C15 C16 1.383(4) . ?
C21 C22 1.383(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.393(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.389(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.392(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.518(4) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C31 1.537(4) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C31 N4 1.348(4) . ?
C31 C32 1.395(4) . ?
C32 C33 1.392(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.387(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.382(4) . ?
C34 H34 0.9500 . ?
C35 N4 1.352(4) . ?
C35 H35 0.9500 . ?
C41 C42 1.529(4) . ?
C41 C46 1.535(4) . ?
C41 H41 1.0000 . ?
C42 C43 1.535(4) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.540(4) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.532(4) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.537(4) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
Cl1 O1 1.437(2) . ?
Cl1 O3 1.438(2) . ?
Cl1 O2 1.444(2) . ?
Cl1 O4 1.449(2) . ?
C51 O5 1.218(4) . ?
C51 C52 1.506(4) . ?
C51 C53 1.509(5) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?

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 C1 86.85(10) . . y
C11 Au1 C37 93.06(10) . . y
C1 Au1 C37 175.04(9) . . y
C11 Au1 N3 177.17(9) . . y
C1 Au1 N3 94.91(10) . . y
C37 Au1 N3 84.99(10) . . y
C37 N1 C27 121.8(2) . . ?
C37 N1 C26 118.0(2) . . ?
C27 N1 C26 116.9(2) . . ?
C37 N2 C41 124.4(2) . . ?
C37 N2 H2 117.8 . . ?
C41 N2 H2 117.8 . . ?
C25 N3 C21 119.9(2) . . ?
C25 N3 Au1 115.95(18) . . ?
C21 N3 Au1 124.09(19) . . ?
C6 C1 C2 115.4(2) . . ?
C6 C1 Au1 125.20(19) . . ?
C2 C1 Au1 119.40(19) . . ?
F1 C2 C3 117.2(2) . . ?
F1 C2 C1 119.6(2) . . ?
C3 C2 C1 123.1(2) . . ?
F2 C3 C4 119.6(2) . . ?
F2 C3 C2 121.0(2) . . ?
C4 C3 C2 119.4(2) . . ?
F3 C4 C3 119.7(2) . . ?
F3 C4 C5 120.8(2) . . ?
C3 C4 C5 119.5(2) . . ?
F4 C5 C6 120.6(2) . . ?
F4 C5 C4 120.1(2) . . ?
C6 C5 C4 119.3(2) . . ?
F5 C6 C5 117.2(2) . . ?
F5 C6 C1 119.6(2) . . ?
C5 C6 C1 123.2(2) . . ?
C16 C11 C12 116.4(2) . . ?
C16 C11 Au1 121.04(19) . . ?
C12 C11 Au1 122.51(19) . . ?
F6 C12 C13 118.1(2) . . ?
F6 C12 C11 119.4(2) . . ?
C13 C12 C11 122.5(2) . . ?
F7 C13 C12 120.9(2) . . ?
F7 C13 C14 119.8(2) . . ?
C12 C13 C14 119.3(2) . . ?
F8 C14 C13 120.5(2) . . ?
F8 C14 C15 119.7(2) . . ?
C13 C14 C15 119.8(2) . . ?
F9 C15 C16 120.9(2) . . ?
F9 C15 C14 119.7(2) . . ?
C16 C15 C14 119.4(2) . . ?
F10 C16 C15 118.2(2) . . ?
F10 C16 C11 119.2(2) . . ?
C15 C16 C11 122.5(2) . . ?
N3 C21 C22 121.2(3) . . ?
N3 C21 H21 119.4 . . ?
C22 C21 H21 119.4 . . ?
C21 C22 C23 119.1(3) . . ?
C21 C22 H22 120.5 . . ?
C23 C22 H22 120.5 . . ?
C24 C23 C22 119.7(3) . . ?
C24 C23 H23 120.1 . . ?
C22 C23 H23 120.1 . . ?
C23 C24 C25 118.9(3) . . ?
C23 C24 H24 120.6 . . ?
C25 C24 H24 120.6 . . ?
N3 C25 C24 121.1(2) . . ?
N3 C25 C26 115.7(2) . . ?
C24 C25 C26 123.2(2) . . ?
N1 C26 C25 110.7(2) . . ?
N1 C26 H26A 109.5 . . ?
C25 C26 H26A 109.5 . . ?
N1 C26 H26B 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 108.1 . . ?
N1 C27 C31 112.4(2) . . ?
N1 C27 H27A 109.1 . . ?
C31 C27 H27A 109.1 . . ?
N1 C27 H27B 109.1 . . ?
C31 C27 H27B 109.1 . . ?
H27A C27 H27B 107.9 . . ?
N4 C31 C32 123.3(3) . . ?
N4 C31 C27 117.1(2) . . ?
C32 C31 C27 119.7(2) . . ?
C33 C32 C31 118.6(3) . . ?
C33 C32 H32 120.7 . . ?
C31 C32 H32 120.7 . . ?
C34 C33 C32 118.8(3) . . ?
C34 C33 H33 120.6 . . ?
C32 C33 H33 120.6 . . ?
C35 C34 C33 118.8(3) . . ?
C35 C34 H34 120.6 . . ?
C33 C34 H34 120.6 . . ?
N4 C35 C34 123.7(3) . . ?
N4 C35 H35 118.2 . . ?
C34 C35 H35 118.2 . . ?
C31 N4 C35 116.8(3) . . ?
N2 C37 N1 120.5(2) . . y
N2 C37 Au1 124.59(19) . . y
N1 C37 Au1 114.89(18) . . y
N2 C41 C42 111.2(2) . . ?
N2 C41 C46 110.3(2) . . ?
C42 C41 C46 111.6(2) . . ?
N2 C41 H41 107.8 . . ?
C42 C41 H41 107.8 . . ?
C46 C41 H41 107.8 . . ?
C41 C42 C43 109.9(2) . . ?
C41 C42 H42A 109.7 . . ?
C43 C42 H42A 109.7 . . ?
C41 C42 H42B 109.7 . . ?
C43 C42 H42B 109.7 . . ?
H42A C42 H42B 108.2 . . ?
C42 C43 C44 111.5(2) . . ?
C42 C43 H43A 109.3 . . ?
C44 C43 H43A 109.3 . . ?
C42 C43 H43B 109.3 . . ?
C44 C43 H43B 109.3 . . ?
H43A C43 H43B 108.0 . . ?
C45 C44 C43 111.1(2) . . ?
C45 C44 H44A 109.4 . . ?
C43 C44 H44A 109.4 . . ?
C45 C44 H44B 109.4 . . ?
C43 C44 H44B 109.4 . . ?
H44A C44 H44B 108.0 . . ?
C44 C45 C46 111.1(2) . . ?
C44 C45 H45A 109.4 . . ?
C46 C45 H45A 109.4 . . ?
C44 C45 H45B 109.4 . . ?
C46 C45 H45B 109.4 . . ?
H45A C45 H45B 108.0 . . ?
C41 C46 C45 109.3(2) . . ?
C41 C46 H46A 109.8 . . ?
C45 C46 H46A 109.8 . . ?
C41 C46 H46B 109.8 . . ?
C45 C46 H46B 109.8 . . ?
H46A C46 H46B 108.3 . . ?
O1 Cl1 O3 109.85(17) . . ?
O1 Cl1 O2 109.72(16) . . ?
O3 Cl1 O2 109.37(16) . . ?
O1 Cl1 O4 109.04(15) . . ?
O3 Cl1 O4 109.85(16) . . ?
O2 Cl1 O4 109.00(16) . . ?
O5 C51 C52 121.7(3) . . ?
O5 C51 C53 121.6(3) . . ?
C52 C51 C53 116.7(3) . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C51 C53 H53A 109.5 . . ?
C51 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C51 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         1.364
_refine_diff_density_min         -0.597
_refine_diff_density_rms         0.089
####################################################################### 
# 
# 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_lola47as
_database_code_depnum_ccdc_archive 'CCDC 1039446'
_audit_update_record             
;
2014-12-15 deposited with the CCDC.
2015-04-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H28 Au Cl F10 N4 O5'
_chemical_formula_weight         1019.04

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'
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'
F F 0.0171 0.0103 '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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.500(2)
_cell_length_b                   13.507(3)
_cell_length_c                   13.812(3)
_cell_angle_alpha                80.76(3)
_cell_angle_beta                 69.01(3)
_cell_angle_gamma                77.33(3)
_cell_volume                     1777.1(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5229
_cell_measurement_theta_min      2.3
_cell_measurement_theta_max      28

_exptl_crystal_description       tablet
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.904
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             996
_exptl_absorpt_coefficient_mu    4.318
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5450
_exptl_absorpt_correction_T_max  0.7239
_exptl_absorpt_process_details   
;
SADABS; Area-Detector Absorption Correction. Bruker-AXS
within SAINT+ package, v. 6.02 (1999).
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART APEX CCD system'
_diffrn_measurement_method       'ω rotations with narrow frames'
_diffrn_detector_area_resol_mean 8.26
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10778
_diffrn_reflns_av_R_equivalents  0.0183
_diffrn_reflns_av_sigmaI/netI    0.0316
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.59
_diffrn_reflns_theta_max         25.00
_reflns_number_total             5973
_reflns_number_gt                5612
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART v. 5.611 (Bruker AXS, 2000)'
_computing_cell_refinement       'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_data_reduction        'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP, SHELXTL v. 6.10 (Bruker, 2000)'
_computing_publication_material  'XCIF, SHELXTL v. 6.10 (Bruker, 2000)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0294P)²+0.7702P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_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         5973
_refine_ls_number_parameters     498
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0249
_refine_ls_R_factor_gt           0.0224
_refine_ls_wR_factor_ref         0.0538
_refine_ls_wR_factor_gt          0.0522
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.037
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.282555(12) 0.380985(10) 0.698775(9) 0.01232(5) Uani 1 1 d . . .
F1 F -0.0521(2) 0.38269(16) 0.78502(15) 0.0222(5) Uani 1 1 d . . .
F2 F -0.2540(2) 0.49518(17) 0.71713(16) 0.0263(5) Uani 1 1 d . . .
F3 F -0.1979(2) 0.64965(18) 0.56435(17) 0.0286(5) Uani 1 1 d . . .
F4 F 0.0650(2) 0.68826(17) 0.47555(17) 0.0283(5) Uani 1 1 d . . .
F5 F 0.2702(2) 0.57313(16) 0.53842(16) 0.0221(5) Uani 1 1 d . . .
F6 F 0.50957(19) 0.51952(15) 0.62721(15) 0.0195(4) Uani 1 1 d . . .
F7 F 0.5300(2) 0.68303(16) 0.70733(16) 0.0241(5) Uani 1 1 d . . .
F9 F 0.1203(2) 0.64574(17) 0.98848(16) 0.0285(5) Uani 1 1 d . . .
F10 F 0.0930(2) 0.48643(16) 0.90397(16) 0.0252(5) Uani 1 1 d . . .
F8 F 0.3378(2) 0.74490(16) 0.88951(16) 0.0261(5) Uani 1 1 d . . .
C1 C 0.1172(3) 0.4730(3) 0.6632(3) 0.0144(7) Uani 1 1 d . . .
C2 C -0.0184(4) 0.4576(3) 0.7075(3) 0.0164(7) Uani 1 1 d . . .
C3 C -0.1240(3) 0.5150(3) 0.6749(3) 0.0175(8) Uani 1 1 d . . .
C4 C -0.0965(4) 0.5934(3) 0.5972(3) 0.0194(8) Uani 1 1 d . . .
C6 C 0.1409(3) 0.5525(3) 0.5858(3) 0.0159(7) Uani 1 1 d . . .
C5 C 0.0374(4) 0.6124(3) 0.5520(3) 0.0181(8) Uani 1 1 d . . .
N1 N 0.2784(3) 0.2593(2) 0.6239(2) 0.0145(6) Uani 1 1 d . . .
C21 C 0.1675(4) 0.2131(3) 0.6474(3) 0.0193(8) Uani 1 1 d . . .
H21 H 0.0824 0.2395 0.6976 0.023 Uiso 1 1 calc R . .
C22 C 0.1758(4) 0.1286(3) 0.6001(3) 0.0221(8) Uani 1 1 d . . .
H22 H 0.0977 0.0960 0.6186 0.027 Uiso 1 1 calc R . .
C26 C 0.5185(4) 0.2754(3) 0.5355(3) 0.0164(7) Uani 1 1 d . . .
H26A H 0.5993 0.2480 0.4767 0.020 Uiso 1 1 calc R . .
H26B H 0.4924 0.3492 0.5176 0.020 Uiso 1 1 calc R . .
N2 N 0.5569(3) 0.2599(2) 0.6306(2) 0.0140(6) Uani 1 1 d . . .
C27 C 0.6850(3) 0.1889(3) 0.6288(3) 0.0169(8) Uani 1 1 d . . .
H27A H 0.7295 0.2142 0.6699 0.020 Uiso 1 1 calc R . .
H27B H 0.7495 0.1875 0.5561 0.020 Uiso 1 1 calc R . .
C28 C 0.6617(3) 0.0811(3) 0.6723(3) 0.0157(7) Uani 1 1 d . . .
N4 N 0.5331(3) 0.0619(2) 0.7023(2) 0.0179(7) Uani 1 1 d . . .
C30 C 0.5144(4) -0.0340(3) 0.7403(3) 0.0222(8) Uani 1 1 d . . .
H30 H 0.4234 -0.0489 0.7615 0.027 Uiso 1 1 calc R . .
C31 C 0.6201(4) -0.1121(3) 0.7500(3) 0.0266(9) Uani 1 1 d . . .
H31 H 0.6017 -0.1784 0.7783 0.032 Uiso 1 1 calc R . .
C32 C 0.7533(4) -0.0917(3) 0.7178(3) 0.0274(9) Uani 1 1 d . . .
H32 H 0.8284 -0.1438 0.7228 0.033 Uiso 1 1 calc R . .
C33 C 0.7745(4) 0.0070(3) 0.6777(3) 0.0249(9) Uani 1 1 d . . .
H33 H 0.8648 0.0234 0.6544 0.030 Uiso 1 1 calc R . .
C25 C 0.3990(3) 0.2227(3) 0.5515(3) 0.0156(7) Uani 1 1 d . . .
C24 C 0.4107(4) 0.1399(3) 0.4999(3) 0.0214(8) Uani 1 1 d . . .
H24 H 0.4951 0.1165 0.4473 0.026 Uiso 1 1 calc R . .
C23 C 0.2987(4) 0.0917(3) 0.5253(3) 0.0239(9) Uani 1 1 d . . .
H23 H 0.3060 0.0336 0.4917 0.029 Uiso 1 1 calc R . .
C48 C 0.5538(4) 0.3917(3) 0.9240(3) 0.0224(8) Uani 1 1 d . . .
H48A H 0.5437 0.4470 0.8705 0.034 Uiso 1 1 calc R . .
H48B H 0.6320 0.3387 0.8929 0.034 Uiso 1 1 calc R . .
H48C H 0.5708 0.4184 0.9794 0.034 Uiso 1 1 calc R . .
C46 C 0.4227(4) 0.3469(3) 0.9693(3) 0.0178(8) Uani 1 1 d . . .
C45 C 0.3327(4) 0.3636(3) 1.0695(3) 0.0233(8) Uani 1 1 d . . .
H45 H 0.3553 0.4017 1.1113 0.028 Uiso 1 1 calc R . .
C44 C 0.2096(4) 0.3249(3) 1.1093(3) 0.0241(9) Uani 1 1 d . . .
H44 H 0.1479 0.3380 1.1774 0.029 Uiso 1 1 calc R . .
C43 C 0.1770(4) 0.2677(3) 1.0500(3) 0.0215(8) Uani 1 1 d . . .
H43 H 0.0935 0.2408 1.0785 0.026 Uiso 1 1 calc R . .
C42 C 0.2645(4) 0.2484(3) 0.9489(3) 0.0174(8) Uani 1 1 d . . .
C41 C 0.3861(3) 0.2901(3) 0.9097(3) 0.0147(7) Uani 1 1 d . . .
C47 C 0.2232(4) 0.1855(3) 0.8881(3) 0.0224(8) Uani 1 1 d . . .
H47A H 0.1808 0.1300 0.9347 0.034 Uiso 1 1 calc R . .
H47B H 0.3054 0.1569 0.8324 0.034 Uiso 1 1 calc R . .
H47C H 0.1564 0.2286 0.8577 0.034 Uiso 1 1 calc R . .
N3 N 0.4854(3) 0.2694(2) 0.8076(2) 0.0153(6) Uani 1 1 d . . .
H3 H 0.5694 0.2382 0.8047 0.018 Uiso 1 1 calc R . .
C49 C 0.4612(3) 0.2929(3) 0.7182(3) 0.0131(7) Uani 1 1 d . . .
C13 C 0.4237(3) 0.6327(3) 0.7574(3) 0.0173(8) Uani 1 1 d . . .
C14 C 0.3261(4) 0.6646(3) 0.8492(3) 0.0186(8) Uani 1 1 d . . .
C15 C 0.2153(4) 0.6144(3) 0.8992(3) 0.0188(8) Uani 1 1 d . . .
C16 C 0.2040(3) 0.5325(3) 0.8554(3) 0.0171(8) Uani 1 1 d . . .
C11 C 0.3010(3) 0.4978(2) 0.7637(3) 0.0127(7) Uani 1 1 d . . .
C12 C 0.4113(3) 0.5499(3) 0.7163(3) 0.0153(7) Uani 1 1 d . . .
Cl1 Cl 0.86319(9) 0.14845(7) 0.30633(7) 0.02131(19) Uani 1 1 d . . .
O1 O 0.8852(3) 0.0976(2) 0.4004(2) 0.0304(7) Uani 1 1 d . . .
O3 O 0.7205(3) 0.1541(2) 0.3166(2) 0.0349(7) Uani 1 1 d . . .
O4 O 0.9518(3) 0.0916(3) 0.2204(2) 0.0428(8) Uani 1 1 d . . .
O2 O 0.8951(3) 0.2491(2) 0.2897(3) 0.0405(8) Uani 1 1 d . . .
O5 O 0.7523(3) 0.1784(2) 0.8363(2) 0.0256(6) Uiso 1 1 d . . .
C101 C 0.7621(4) 0.1112(3) 0.9048(3) 0.0251(9) Uiso 1 1 d . . .
C100 C 0.8828(4) 0.0913(3) 0.9421(3) 0.0332(10) Uiso 1 1 d . . .
H10A H 0.9451 0.0291 0.9149 0.050 Uiso 1 1 calc R . .
H10B H 0.8501 0.0830 1.0183 0.050 Uiso 1 1 calc R . .
H10C H 0.9326 0.1489 0.9175 0.050 Uiso 1 1 calc R . .
C103 C 0.6531(5) 0.0457(4) 0.9546(4) 0.0429(11) Uiso 1 1 d . . .
H10D H 0.5805 0.0662 0.9227 0.064 Uiso 1 1 calc R . .
H10E H 0.6127 0.0540 1.0293 0.064 Uiso 1 1 calc R . .
H10F H 0.6951 -0.0258 0.9442 0.064 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C11 2.012(3) . y
Au1 C1 2.066(4) . y
Au1 C49 2.070(3) . y
Au1 N1 2.094(3) . y
F1 C2 1.354(4) . ?
F2 C3 1.346(4) . ?
F3 C4 1.341(4) . ?
F4 C5 1.346(4) . ?
F5 C6 1.349(4) . ?
F6 C12 1.347(4) . ?
F7 C13 1.347(4) . ?
F9 C15 1.340(4) . ?
F10 C16 1.348(4) . ?
F8 C14 1.343(4) . ?
C1 C2 1.382(5) . ?
C1 C6 1.384(5) . ?
C2 C3 1.380(5) . ?
C3 C4 1.379(5) . ?
C4 C5 1.382(5) . ?
C6 C5 1.382(5) . ?
N1 C25 1.351(4) . ?
N1 C21 1.354(4) . ?
C21 C22 1.375(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.382(5) . ?
C22 H22 0.9500 . ?
C26 N2 1.478(4) . ?
C26 C25 1.508(5) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
N2 C49 1.333(4) . y
N2 C27 1.466(4) . y
C27 C28 1.520(5) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 N4 1.334(4) . ?
C28 C33 1.388(5) . ?
N4 C30 1.347(5) . ?
C30 C31 1.382(5) . ?
C30 H30 0.9500 . ?
C31 C32 1.382(5) . ?
C31 H31 0.9500 . ?
C32 C33 1.393(5) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C25 C24 1.380(5) . ?
C24 C23 1.377(5) . ?
C24 H24 0.9500 . ?
C23 H23 0.9500 . ?
C48 C46 1.509(5) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C46 C45 1.388(5) . ?
C46 C41 1.405(5) . ?
C45 C44 1.393(5) . ?
C45 H45 0.9500 . ?
C44 C43 1.381(5) . ?
C44 H44 0.9500 . ?
C43 C42 1.398(5) . ?
C43 H43 0.9500 . ?
C42 C41 1.401(5) . ?
C42 C47 1.506(5) . ?
C41 N3 1.449(4) . y
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
N3 C49 1.323(4) . y
N3 H3 0.8800 . ?
C13 C14 1.377(5) . ?
C13 C12 1.383(5) . ?
C14 C15 1.382(5) . ?
C15 C16 1.389(5) . ?
C16 C11 1.385(5) . ?
C11 C12 1.389(5) . ?
Cl1 O4 1.433(3) . ?
Cl1 O2 1.434(3) . ?
Cl1 O1 1.440(3) . ?
Cl1 O3 1.440(3) . ?
O5 C101 1.219(5) . ?
C101 C100 1.489(5) . ?
C101 C103 1.499(6) . ?
C100 H10A 0.9800 . ?
C100 H10B 0.9800 . ?
C100 H10C 0.9800 . ?
C103 H10D 0.9800 . ?
C103 H10E 0.9800 . ?
C103 H10F 0.9800 . ?

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 C1 88.64(13) . . y
C11 Au1 C49 92.13(13) . . y
C1 Au1 C49 173.86(13) . . y
C11 Au1 N1 175.79(12) . . y
C1 Au1 N1 93.59(12) . . y
C49 Au1 N1 85.27(12) . . y
C2 C1 C6 116.0(3) . . ?
C2 C1 Au1 124.4(3) . . ?
C6 C1 Au1 119.5(2) . . ?
F1 C2 C3 117.1(3) . . ?
F1 C2 C1 120.3(3) . . ?
C3 C2 C1 122.6(3) . . ?
F2 C3 C4 119.3(3) . . ?
F2 C3 C2 121.0(3) . . ?
C4 C3 C2 119.7(3) . . ?
F3 C4 C3 120.5(3) . . ?
F3 C4 C5 120.1(3) . . ?
C3 C4 C5 119.4(3) . . ?
F5 C6 C5 117.1(3) . . ?
F5 C6 C1 120.0(3) . . ?
C5 C6 C1 123.0(3) . . ?
F4 C5 C6 121.2(3) . . ?
F4 C5 C4 119.6(3) . . ?
C6 C5 C4 119.2(3) . . ?
C25 N1 C21 119.4(3) . . ?
C25 N1 Au1 115.8(2) . . ?
C21 N1 Au1 124.6(2) . . ?
N1 C21 C22 121.3(3) . . ?
N1 C21 H21 119.4 . . ?
C22 C21 H21 119.4 . . ?
C21 C22 C23 119.3(3) . . ?
C21 C22 H22 120.3 . . ?
C23 C22 H22 120.3 . . ?
N2 C26 C25 110.7(3) . . ?
N2 C26 H26A 109.5 . . ?
C25 C26 H26A 109.5 . . ?
N2 C26 H26B 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 108.1 . . ?
C49 N2 C27 122.9(3) . . ?
C49 N2 C26 118.3(3) . . ?
C27 N2 C26 117.2(3) . . ?
N2 C27 C28 113.3(3) . . ?
N2 C27 H27A 108.9 . . ?
C28 C27 H27A 108.9 . . ?
N2 C27 H27B 108.9 . . ?
C28 C27 H27B 108.9 . . ?
H27A C27 H27B 107.7 . . ?
N4 C28 C33 123.0(3) . . ?
N4 C28 C27 118.0(3) . . ?
C33 C28 C27 119.0(3) . . ?
C28 N4 C30 117.2(3) . . ?
N4 C30 C31 123.6(3) . . ?
N4 C30 H30 118.2 . . ?
C31 C30 H30 118.2 . . ?
C30 C31 C32 118.7(3) . . ?
C30 C31 H31 120.6 . . ?
C32 C31 H31 120.6 . . ?
C31 C32 C33 118.3(4) . . ?
C31 C32 H32 120.8 . . ?
C33 C32 H32 120.8 . . ?
C28 C33 C32 119.0(3) . . ?
C28 C33 H33 120.5 . . ?
C32 C33 H33 120.5 . . ?
N1 C25 C24 121.2(3) . . ?
N1 C25 C26 115.4(3) . . ?
C24 C25 C26 123.3(3) . . ?
C23 C24 C25 119.3(3) . . ?
C23 C24 H24 120.3 . . ?
C25 C24 H24 120.3 . . ?
C24 C23 C22 119.4(3) . . ?
C24 C23 H23 120.3 . . ?
C22 C23 H23 120.3 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C45 C46 C41 118.2(3) . . ?
C45 C46 C48 121.1(3) . . ?
C41 C46 C48 120.7(3) . . ?
C46 C45 C44 120.7(3) . . ?
C46 C45 H45 119.7 . . ?
C44 C45 H45 119.7 . . ?
C43 C44 C45 120.1(3) . . ?
C43 C44 H44 119.9 . . ?
C45 C44 H44 119.9 . . ?
C44 C43 C42 121.3(3) . . ?
C44 C43 H43 119.3 . . ?
C42 C43 H43 119.3 . . ?
C43 C42 C41 117.4(3) . . ?
C43 C42 C47 118.8(3) . . ?
C41 C42 C47 123.8(3) . . ?
C42 C41 C46 122.2(3) . . ?
C42 C41 N3 120.7(3) . . ?
C46 C41 N3 116.9(3) . . ?
C42 C47 H47A 109.5 . . ?
C42 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C42 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C49 N3 C41 126.0(3) . . ?
C49 N3 H3 117.0 . . ?
C41 N3 H3 117.0 . . ?
N3 C49 N2 120.1(3) . . y
N3 C49 Au1 125.5(3) . . y
N2 C49 Au1 114.4(2) . . y
F7 C13 C14 119.9(3) . . ?
F7 C13 C12 120.3(3) . . ?
C14 C13 C12 119.8(3) . . ?
F8 C14 C13 120.0(3) . . ?
F8 C14 C15 120.1(3) . . ?
C13 C14 C15 119.8(3) . . ?
F9 C15 C14 119.7(3) . . ?
F9 C15 C16 121.1(3) . . ?
C14 C15 C16 119.2(3) . . ?
F10 C16 C11 119.4(3) . . ?
F10 C16 C15 118.2(3) . . ?
C11 C16 C15 122.4(3) . . ?
C16 C11 C12 116.6(3) . . ?
C16 C11 Au1 122.4(2) . . ?
C12 C11 Au1 121.0(2) . . ?
F6 C12 C13 118.4(3) . . ?
F6 C12 C11 119.4(3) . . ?
C13 C12 C11 122.1(3) . . ?
O4 Cl1 O2 109.5(2) . . ?
O4 Cl1 O1 109.10(19) . . ?
O2 Cl1 O1 109.55(18) . . ?
O4 Cl1 O3 109.82(19) . . ?
O2 Cl1 O3 109.94(19) . . ?
O1 Cl1 O3 108.87(17) . . ?
O5 C101 C100 121.0(4) . . ?
O5 C101 C103 121.2(4) . . ?
C100 C101 C103 117.8(4) . . ?
C101 C100 H10A 109.5 . . ?
C101 C100 H10B 109.5 . . ?
H10A C100 H10B 109.5 . . ?
C101 C100 H10C 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C101 C103 H10D 109.5 . . ?
C101 C103 H10E 109.5 . . ?
H10D C103 H10E 109.5 . . ?
C101 C103 H10F 109.5 . . ?
H10D C103 H10F 109.5 . . ?
H10E C103 H10F 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.954
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.954
_refine_diff_density_max         1.001
_refine_diff_density_min         -0.524
_refine_diff_density_rms         0.092
#===END
