# 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_apow6
_database_code_depnum_ccdc_archive 'CCDC 1403197'

_audit_update_record             
;
2015-05-26 deposited with the CCDC.
2015-07-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H36 Au2 Cl6 N4 O2 P2'
_chemical_formula_weight         1345.36

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'
P P 0.1023 0.0942 '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                   13.1709(4)
_cell_length_b                   13.9693(4)
_cell_length_c                   15.1962(4)
_cell_angle_alpha                104.570(2)
_cell_angle_beta                 113.005(1)
_cell_angle_gamma                101.240(2)
_cell_volume                     2352.00(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9977
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      27.89

_exptl_crystal_description       needles
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.900
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1292
_exptl_absorpt_coefficient_mu    6.682
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.2013
_exptl_absorpt_correction_T_max  0.7142
_exptl_absorpt_process_details   'Bruker SADABS'

_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 APEX-II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            79139
_diffrn_reflns_av_R_equivalents  0.0712
_diffrn_reflns_av_sigmaI/netI    0.0343
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.56
_diffrn_reflns_theta_max         27.50
_reflns_number_total             10806
_reflns_number_gt                9294
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Bruker APEX2 (Bruker, 2008)'
_computing_cell_refinement       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT (Bruker, 2008)'
_computing_structure_solution    'Bruker SHELXTL (Bruker, 2008)'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 All H atoms were positioned geometrically ( C---H = 0.93/1.00 Å) and allowed 
 to ride with Uiso(H)= 1.2/1.5Ueq(C). 
 Methyl ones were allowed to rotate around the corresponding C---C. 

There are two chloroform solvent molecules in the asymmetric unit. One of the
 latter is partially disordered where only two of the Cl atoms are disordered.
 In this case, atom C81 should also be disordered but it is to a lesser extent
 which did not allow for its resolution.  
  
;

_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)+(0.0273P)²] 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         10806
_refine_ls_number_parameters     570
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0274
_refine_ls_R_factor_gt           0.0213
_refine_ls_wR_factor_ref         0.0515
_refine_ls_wR_factor_gt          0.0496
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_restrained_S_all      0.981
_refine_ls_shift/su_max          0.007
_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 0.895570(9) 0.205211(8) 0.954048(8) 0.01062(3) Uani 1 1 d . . .
Au2 Au 0.910503(9) 0.331427(8) 1.208227(8) 0.01133(3) Uani 1 1 d . . .
P1 P 0.77691(6) 0.20044(6) 0.79440(6) 0.01178(15) Uani 1 1 d . . .
P2 P 0.83185(7) 0.45411(6) 1.24552(6) 0.01264(15) Uani 1 1 d . . .
O11 O 1.3672(2) -0.0799(2) 0.9186(2) 0.0328(6) Uani 1 1 d . . .
O14 O 1.2289(2) -0.08311(18) 0.77993(18) 0.0269(5) Uani 1 1 d . . .
N1 N 0.9997(2) 0.23540(18) 1.17813(17) 0.0112(5) Uani 1 1 d . . .
N2 N 1.0837(2) 0.21904(19) 1.25519(18) 0.0146(5) Uani 1 1 d . . .
N3 N 1.1437(2) 0.17266(19) 1.21710(18) 0.0142(5) Uani 1 1 d . . .
N12 N 1.2804(2) -0.0574(2) 0.8745(2) 0.0217(6) Uani 1 1 d . . .
C1 C 1.0060(2) 0.1987(2) 1.0891(2) 0.0107(6) Uani 1 1 d . . .
C2 C 1.0981(2) 0.1590(2) 1.1150(2) 0.0115(6) Uani 1 1 d . . .
C11 C 1.1464(2) 0.1067(2) 1.0526(2) 0.0118(6) Uani 1 1 d . . .
C12 C 1.0874(3) 0.0715(2) 0.9447(2) 0.0148(6) Uani 1 1 d . . .
H12A H 1.0163 0.0842 0.9118 0.018 Uiso 1 1 calc R . .
C13 C 1.1312(3) 0.0186(2) 0.8857(2) 0.0163(6) Uani 1 1 d . . .
H13A H 1.0903 -0.0058 0.8129 0.020 Uiso 1 1 calc R . .
C14 C 1.2354(3) 0.0020(2) 0.9349(2) 0.0159(6) Uani 1 1 d . . .
C15 C 1.2977(3) 0.0375(2) 1.0412(2) 0.0186(7) Uani 1 1 d . . .
H15A H 1.3704 0.0270 1.0735 0.022 Uiso 1 1 calc R . .
C16 C 1.2523(3) 0.0883(2) 1.0987(2) 0.0161(6) Uani 1 1 d . . .
H16A H 1.2935 0.1115 1.1714 0.019 Uiso 1 1 calc R . .
C21 C 0.8218(2) 0.1344(2) 0.7027(2) 0.0130(6) Uani 1 1 d . . .
C22 C 0.8452(3) 0.1769(2) 0.6368(2) 0.0155(6) Uani 1 1 d . . .
H22A H 0.8351 0.2422 0.6357 0.019 Uiso 1 1 calc R . .
C23 C 0.8836(3) 0.1238(3) 0.5722(2) 0.0204(7) Uani 1 1 d . . .
H23A H 0.8994 0.1529 0.5268 0.025 Uiso 1 1 calc R . .
C24 C 0.8988(3) 0.0291(3) 0.5736(2) 0.0208(7) Uani 1 1 d . . .
H24A H 0.9249 -0.0069 0.5294 0.025 Uiso 1 1 calc R . .
C25 C 0.8758(3) -0.0137(2) 0.6401(2) 0.0178(6) Uani 1 1 d . . .
H25A H 0.8862 -0.0789 0.6411 0.021 Uiso 1 1 calc R . .
C26 C 0.8379(3) 0.0381(2) 0.7044(2) 0.0167(6) Uani 1 1 d . . .
H26A H 0.8226 0.0089 0.7499 0.020 Uiso 1 1 calc R . .
C31 C 0.6254(3) 0.1221(2) 0.7431(2) 0.0145(6) Uani 1 1 d . . .
C32 C 0.5879(3) 0.0962(3) 0.8103(2) 0.0217(7) Uani 1 1 d . . .
H32A H 0.6400 0.1235 0.8817 0.026 Uiso 1 1 calc R . .
C33 C 0.4753(3) 0.0312(3) 0.7743(3) 0.0268(8) Uani 1 1 d . . .
H33A H 0.4514 0.0116 0.8205 0.032 Uiso 1 1 calc R . .
C34 C 0.3976(3) -0.0054(3) 0.6710(3) 0.0255(8) Uani 1 1 d . . .
H34A H 0.3200 -0.0493 0.6462 0.031 Uiso 1 1 calc R . .
C35 C 0.4328(3) 0.0219(3) 0.6039(3) 0.0234(7) Uani 1 1 d . . .
H35A H 0.3788 -0.0016 0.5332 0.028 Uiso 1 1 calc R . .
C36 C 0.5471(3) 0.0838(2) 0.6395(2) 0.0184(6) Uani 1 1 d . . .
H36A H 0.5719 0.1000 0.5925 0.022 Uiso 1 1 calc R . .
C41 C 0.7811(3) 0.3272(2) 0.7826(2) 0.0129(6) Uani 1 1 d . . .
C42 C 0.6869(3) 0.3438(2) 0.7117(2) 0.0176(6) Uani 1 1 d . . .
H42A H 0.6153 0.2878 0.6685 0.021 Uiso 1 1 calc R . .
C43 C 0.6974(3) 0.4419(3) 0.7040(2) 0.0202(7) Uani 1 1 d . . .
H43A H 0.6333 0.4524 0.6549 0.024 Uiso 1 1 calc R . .
C44 C 0.8012(3) 0.5247(2) 0.7679(2) 0.0184(7) Uani 1 1 d . . .
H44A H 0.8083 0.5917 0.7623 0.022 Uiso 1 1 calc R . .
C45 C 0.8942(3) 0.5093(2) 0.8397(2) 0.0173(6) Uani 1 1 d . . .
H45A H 0.9648 0.5661 0.8841 0.021 Uiso 1 1 calc R . .
C46 C 0.8851(3) 0.4107(2) 0.8474(2) 0.0158(6) Uani 1 1 d . . .
H46A H 0.9495 0.4005 0.8965 0.019 Uiso 1 1 calc R . .
C51 C 0.8210(3) 0.5297(2) 1.1627(2) 0.0145(6) Uani 1 1 d . . .
C52 C 0.8736(3) 0.6377(2) 1.2011(2) 0.0179(6) Uani 1 1 d . . .
H52A H 0.9132 0.6753 1.2731 0.021 Uiso 1 1 calc R . .
C53 C 0.8683(3) 0.6911(3) 1.1337(3) 0.0213(7) Uani 1 1 d . . .
H53A H 0.9056 0.7648 1.1601 0.026 Uiso 1 1 calc R . .
C54 C 0.8094(3) 0.6374(3) 1.0295(2) 0.0215(7) Uani 1 1 d . . .
H54A H 0.8055 0.6741 0.9841 0.026 Uiso 1 1 calc R . .
C55 C 0.7555(3) 0.5296(3) 0.9903(2) 0.0242(7) Uani 1 1 d . . .
H55A H 0.7144 0.4928 0.9182 0.029 Uiso 1 1 calc R . .
C56 C 0.7617(3) 0.4755(3) 1.0566(2) 0.0214(7) Uani 1 1 d . . .
H56A H 0.7256 0.4016 1.0297 0.026 Uiso 1 1 calc R . .
C61 C 0.9261(3) 0.5494(2) 1.3750(2) 0.0153(6) Uani 1 1 d . . .
C62 C 0.8829(3) 0.6013(3) 1.4357(2) 0.0226(7) Uani 1 1 d . . .
H62A H 0.8010 0.5845 1.4113 0.027 Uiso 1 1 calc R . .
C63 C 0.9590(4) 0.6777(3) 1.5319(2) 0.0277(8) Uani 1 1 d . . .
H63A H 0.9291 0.7134 1.5729 0.033 Uiso 1 1 calc R . .
C64 C 1.0782(3) 0.7014(3) 1.5677(2) 0.0272(8) Uani 1 1 d . . .
H64A H 1.1302 0.7540 1.6331 0.033 Uiso 1 1 calc R . .
C65 C 1.1225(3) 0.6492(3) 1.5092(2) 0.0256(8) Uani 1 1 d . . .
H65A H 1.2045 0.6654 1.5344 0.031 Uiso 1 1 calc R . .
C66 C 1.0452(3) 0.5720(2) 1.4120(2) 0.0204(7) Uani 1 1 d . . .
H66A H 1.0750 0.5353 1.3716 0.025 Uiso 1 1 calc R . .
C71 C 0.6873(3) 0.4085(2) 1.2344(2) 0.0156(6) Uani 1 1 d . . .
C72 C 0.6168(3) 0.4722(3) 1.2270(3) 0.0241(7) Uani 1 1 d . . .
H72A H 0.6423 0.5388 1.2232 0.029 Uiso 1 1 calc R . .
C73 C 0.5101(3) 0.4378(3) 1.2252(3) 0.0282(8) Uani 1 1 d . . .
H73A H 0.4626 0.4814 1.2208 0.034 Uiso 1 1 calc R . .
C74 C 0.4717(3) 0.3403(3) 1.2297(3) 0.0269(8) Uani 1 1 d . . .
H74A H 0.3985 0.3174 1.2290 0.032 Uiso 1 1 calc R . .
C75 C 0.5399(3) 0.2770(3) 1.2351(3) 0.0238(7) Uani 1 1 d . . .
H75A H 0.5132 0.2099 1.2374 0.029 Uiso 1 1 calc R . .
C76 C 0.6479(3) 0.3103(2) 1.2372(2) 0.0173(6) Uani 1 1 d . . .
H76A H 0.6945 0.2659 1.2406 0.021 Uiso 1 1 calc R . .
C81 C 0.6209(4) 0.7320(3) 0.1409(3) 0.0376(9) Uani 1 1 d . . .
H81A H 0.6498 0.6731 0.1209 0.045 Uiso 0.907(2) 1 calc PR A 1
H81B H 0.6824 0.7402 0.1177 0.045 Uiso 0.093(2) 1 calc PR A 2
Cl1 Cl 0.51635(9) 0.68885(8) 0.17965(8) 0.0302(3) Uani 0.907(2) 1 d P A 1
Cl2 Cl 0.74109(11) 0.83820(9) 0.24569(9) 0.0410(3) Uani 0.907(2) 1 d P A 1
Cl3 Cl 0.56062(14) 0.76868(10) 0.03567(9) 0.0513(4) Uani 0.907(2) 1 d P A 1
Cl1' Cl 0.5384(18) 0.5941(16) 0.0464(16) 0.096(4) Uiso 0.093(2) 1 d P . 2
Cl2' Cl 0.678(2) 0.796(2) 0.2157(19) 0.096(4) Uiso 0.093(2) 1 d P A 2
Cl3' Cl 0.503(2) 0.7902(19) 0.0195(18) 0.096(4) Uiso 0.093(2) 1 d P A 2
C82 C 0.6490(3) 0.7421(3) 0.5575(3) 0.0296(8) Uani 1 1 d . . .
H82A H 0.7289 0.7790 0.6169 0.036 Uiso 1 1 calc R . .
Cl4 Cl 0.60546(11) 0.61190(8) 0.54729(9) 0.0607(4) Uani 1 1 d . . .
Cl5 Cl 0.65585(8) 0.74815(7) 0.44491(6) 0.0321(2) Uani 1 1 d . . .
Cl6 Cl 0.55370(9) 0.80655(9) 0.57918(7) 0.0424(2) 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 2.036(3) . ?
Au1 P1 2.2907(7) . ?
Au2 N1 2.028(2) . ?
Au2 P2 2.2347(8) . ?
P1 C31 1.814(3) . ?
P1 C41 1.816(3) . ?
P1 C21 1.830(3) . ?
P2 C71 1.811(3) . ?
P2 C51 1.819(3) . ?
P2 C61 1.821(3) . ?
O11 N12 1.225(4) . ?
O14 N12 1.240(3) . ?
N1 C1 1.363(3) . ?
N1 N2 1.367(3) . ?
N2 N3 1.322(3) . ?
N3 C2 1.371(3) . ?
N12 C14 1.454(4) . ?
C1 C2 1.391(4) . ?
C2 C11 1.464(4) . ?
C11 C16 1.403(4) . ?
C11 C12 1.407(4) . ?
C12 C13 1.386(4) . ?
C12 H12A 0.9500 . ?
C13 C14 1.381(4) . ?
C13 H13A 0.9500 . ?
C14 C15 1.390(4) . ?
C15 C16 1.374(4) . ?
C15 H15A 0.9500 . ?
C16 H16A 0.9500 . ?
C21 C22 1.385(4) . ?
C21 C26 1.407(4) . ?
C22 C23 1.392(4) . ?
C22 H22A 0.9500 . ?
C23 C24 1.381(5) . ?
C23 H23A 0.9500 . ?
C24 C25 1.394(4) . ?
C24 H24A 0.9500 . ?
C25 C26 1.376(4) . ?
C25 H25A 0.9500 . ?
C26 H26A 0.9500 . ?
C31 C36 1.386(4) . ?
C31 C32 1.388(4) . ?
C32 C33 1.384(4) . ?
C32 H32A 0.9500 . ?
C33 C34 1.382(5) . ?
C33 H33A 0.9500 . ?
C34 C35 1.376(5) . ?
C34 H34A 0.9500 . ?
C35 C36 1.389(4) . ?
C35 H35A 0.9500 . ?
C36 H36A 0.9500 . ?
C41 C42 1.396(4) . ?
C41 C46 1.397(4) . ?
C42 C43 1.388(4) . ?
C42 H42A 0.9500 . ?
C43 C44 1.390(4) . ?
C43 H43A 0.9500 . ?
C44 C45 1.384(4) . ?
C44 H44A 0.9500 . ?
C45 C46 1.397(4) . ?
C45 H45A 0.9500 . ?
C46 H46A 0.9500 . ?
C51 C52 1.389(4) . ?
C51 C56 1.398(4) . ?
C52 C53 1.400(4) . ?
C52 H52A 0.9500 . ?
C53 C54 1.374(5) . ?
C53 H53A 0.9500 . ?
C54 C55 1.388(5) . ?
C54 H54A 0.9500 . ?
C55 C56 1.392(4) . ?
C55 H55A 0.9500 . ?
C56 H56A 0.9500 . ?
C61 C66 1.380(4) . ?
C61 C62 1.391(4) . ?
C62 C63 1.390(5) . ?
C62 H62A 0.9500 . ?
C63 C64 1.383(5) . ?
C63 H63A 0.9500 . ?
C64 C65 1.381(5) . ?
C64 H64A 0.9500 . ?
C65 C66 1.406(4) . ?
C65 H65A 0.9500 . ?
C66 H66A 0.9500 . ?
C71 C76 1.387(4) . ?
C71 C72 1.398(4) . ?
C72 C73 1.381(5) . ?
C72 H72A 0.9500 . ?
C73 C74 1.386(5) . ?
C73 H73A 0.9500 . ?
C74 C75 1.373(5) . ?
C74 H74A 0.9500 . ?
C75 C76 1.392(4) . ?
C75 H75A 0.9500 . ?
C76 H76A 0.9500 . ?
C81 Cl2' 1.10(3) . ?
C81 Cl3 1.741(4) . ?
C81 Cl1 1.759(4) . ?
C81 Cl2 1.780(4) . ?
C81 Cl1' 1.88(2) . ?
C81 Cl3' 2.34(2) . ?
C81 H81A 1.0000 . ?
C81 H81B 1.0000 . ?
C82 Cl4 1.744(4) . ?
C82 Cl6 1.764(4) . ?
C82 Cl5 1.770(4) . ?
C82 H82A 1.0000 . ?

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 174.44(8) . . ?
N1 Au2 P2 172.64(7) . . ?
C31 P1 C41 108.24(14) . . ?
C31 P1 C21 103.75(13) . . ?
C41 P1 C21 105.59(13) . . ?
C31 P1 Au1 113.75(10) . . ?
C41 P1 Au1 115.5(1) . . ?
C21 P1 Au1 109.05(10) . . ?
C71 P2 C51 106.13(14) . . ?
C71 P2 C61 107.26(14) . . ?
C51 P2 C61 104.82(14) . . ?
C71 P2 Au2 116.56(11) . . ?
C51 P2 Au2 110.47(10) . . ?
C61 P2 Au2 110.85(10) . . ?
C1 N1 N2 110.1(2) . . ?
C1 N1 Au2 127.02(19) . . ?
N2 N1 Au2 121.35(17) . . ?
N3 N2 N1 108.3(2) . . ?
N2 N3 C2 108.1(2) . . ?
O11 N12 O14 122.7(3) . . ?
O11 N12 C14 119.1(3) . . ?
O14 N12 C14 118.2(3) . . ?
N1 C1 C2 104.5(2) . . ?
N1 C1 Au1 123.4(2) . . ?
C2 C1 Au1 132.2(2) . . ?
N3 C2 C1 109.1(2) . . ?
N3 C2 C11 119.9(3) . . ?
C1 C2 C11 131.0(3) . . ?
C16 C11 C12 117.9(3) . . ?
C16 C11 C2 120.7(3) . . ?
C12 C11 C2 121.3(3) . . ?
C13 C12 C11 121.2(3) . . ?
C13 C12 H12A 119.4 . . ?
C11 C12 H12A 119.4 . . ?
C14 C13 C12 118.6(3) . . ?
C14 C13 H13A 120.7 . . ?
C12 C13 H13A 120.7 . . ?
C13 C14 C15 122.0(3) . . ?
C13 C14 N12 119.6(3) . . ?
C15 C14 N12 118.4(3) . . ?
C16 C15 C14 118.7(3) . . ?
C16 C15 H15A 120.6 . . ?
C14 C15 H15A 120.6 . . ?
C15 C16 C11 121.5(3) . . ?
C15 C16 H16A 119.2 . . ?
C11 C16 H16A 119.2 . . ?
C22 C21 C26 119.6(3) . . ?
C22 C21 P1 123.3(2) . . ?
C26 C21 P1 117.0(2) . . ?
C21 C22 C23 119.9(3) . . ?
C21 C22 H22A 120.0 . . ?
C23 C22 H22A 120.0 . . ?
C24 C23 C22 120.3(3) . . ?
C24 C23 H23A 119.9 . . ?
C22 C23 H23A 119.9 . . ?
C23 C24 C25 120.0(3) . . ?
C23 C24 H24A 120.0 . . ?
C25 C24 H24A 120.0 . . ?
C26 C25 C24 120.2(3) . . ?
C26 C25 H25A 119.9 . . ?
C24 C25 H25A 119.9 . . ?
C25 C26 C21 119.9(3) . . ?
C25 C26 H26A 120.0 . . ?
C21 C26 H26A 120.0 . . ?
C36 C31 C32 118.8(3) . . ?
C36 C31 P1 122.8(2) . . ?
C32 C31 P1 118.4(2) . . ?
C33 C32 C31 120.7(3) . . ?
C33 C32 H32A 119.7 . . ?
C31 C32 H32A 119.7 . . ?
C34 C33 C32 119.9(3) . . ?
C34 C33 H33A 120.1 . . ?
C32 C33 H33A 120.1 . . ?
C35 C34 C33 120.0(3) . . ?
C35 C34 H34A 120.0 . . ?
C33 C34 H34A 120.0 . . ?
C34 C35 C36 120.1(3) . . ?
C34 C35 H35A 120.0 . . ?
C36 C35 H35A 120.0 . . ?
C31 C36 C35 120.4(3) . . ?
C31 C36 H36A 119.8 . . ?
C35 C36 H36A 119.8 . . ?
C42 C41 C46 119.4(3) . . ?
C42 C41 P1 123.2(2) . . ?
C46 C41 P1 117.4(2) . . ?
C43 C42 C41 120.3(3) . . ?
C43 C42 H42A 119.9 . . ?
C41 C42 H42A 119.9 . . ?
C42 C43 C44 120.4(3) . . ?
C42 C43 H43A 119.8 . . ?
C44 C43 H43A 119.8 . . ?
C45 C44 C43 119.7(3) . . ?
C45 C44 H44A 120.2 . . ?
C43 C44 H44A 120.2 . . ?
C44 C45 C46 120.5(3) . . ?
C44 C45 H45A 119.8 . . ?
C46 C45 H45A 119.8 . . ?
C45 C46 C41 119.8(3) . . ?
C45 C46 H46A 120.1 . . ?
C41 C46 H46A 120.1 . . ?
C52 C51 C56 119.5(3) . . ?
C52 C51 P2 122.4(2) . . ?
C56 C51 P2 118.0(2) . . ?
C51 C52 C53 120.0(3) . . ?
C51 C52 H52A 120.0 . . ?
C53 C52 H52A 120.0 . . ?
C54 C53 C52 120.2(3) . . ?
C54 C53 H53A 119.9 . . ?
C52 C53 H53A 119.9 . . ?
C53 C54 C55 120.2(3) . . ?
C53 C54 H54A 119.9 . . ?
C55 C54 H54A 119.9 . . ?
C54 C55 C56 120.0(3) . . ?
C54 C55 H55A 120.0 . . ?
C56 C55 H55A 120.0 . . ?
C55 C56 C51 120.0(3) . . ?
C55 C56 H56A 120.0 . . ?
C51 C56 H56A 120.0 . . ?
C66 C61 C62 119.6(3) . . ?
C66 C61 P2 117.7(2) . . ?
C62 C61 P2 122.7(2) . . ?
C63 C62 C61 120.4(3) . . ?
C63 C62 H62A 119.8 . . ?
C61 C62 H62A 119.8 . . ?
C64 C63 C62 119.7(3) . . ?
C64 C63 H63A 120.2 . . ?
C62 C63 H63A 120.2 . . ?
C65 C64 C63 120.6(3) . . ?
C65 C64 H64A 119.7 . . ?
C63 C64 H64A 119.7 . . ?
C64 C65 C66 119.4(3) . . ?
C64 C65 H65A 120.3 . . ?
C66 C65 H65A 120.3 . . ?
C61 C66 C65 120.3(3) . . ?
C61 C66 H66A 119.9 . . ?
C65 C66 H66A 119.9 . . ?
C76 C71 C72 119.6(3) . . ?
C76 C71 P2 119.2(2) . . ?
C72 C71 P2 121.1(2) . . ?
C73 C72 C71 119.8(3) . . ?
C73 C72 H72A 120.1 . . ?
C71 C72 H72A 120.1 . . ?
C72 C73 C74 120.5(3) . . ?
C72 C73 H73A 119.7 . . ?
C74 C73 H73A 119.7 . . ?
C75 C74 C73 119.7(3) . . ?
C75 C74 H74A 120.2 . . ?
C73 C74 H74A 120.2 . . ?
C74 C75 C76 120.7(3) . . ?
C74 C75 H75A 119.7 . . ?
C76 C75 H75A 119.7 . . ?
C71 C76 C75 119.7(3) . . ?
C71 C76 H76A 120.1 . . ?
C75 C76 H76A 120.1 . . ?
Cl2' C81 Cl3 116.6(12) . . ?
Cl2' C81 Cl1 93.0(13) . . ?
Cl3 C81 Cl1 111.2(2) . . ?
Cl2' C81 Cl2 16.5(12) . . ?
Cl3 C81 Cl2 110.7(2) . . ?
Cl1 C81 Cl2 109.4(2) . . ?
Cl2' C81 Cl1' 158.1(14) . . ?
Cl3 C81 Cl1' 85.3(6) . . ?
Cl1 C81 Cl1' 77.6(6) . . ?
Cl2 C81 Cl1' 157.3(7) . . ?
Cl2' C81 Cl3' 112.2(14) . . ?
Cl3 C81 Cl3' 16.8(6) . . ?
Cl1 C81 Cl3' 96.1(6) . . ?
Cl2 C81 Cl3' 111.4(6) . . ?
Cl1' C81 Cl3' 88.6(9) . . ?
Cl2' C81 H81A 117.8 . . ?
Cl3 C81 H81A 108.5 . . ?
Cl1 C81 H81A 108.5 . . ?
Cl2 C81 H81A 108.5 . . ?
Cl1' C81 H81A 49.6 . . ?
Cl3' C81 H81A 121.9 . . ?
Cl2' C81 H81B 92.8 . . ?
Cl3 C81 H81B 76.6 . . ?
Cl1 C81 H81B 166.7 . . ?
Cl2 C81 H81B 76.3 . . ?
Cl1' C81 H81B 92.8 . . ?
Cl3' C81 H81B 92.8 . . ?
H81A C81 H81B 58.3 . . ?
C81 Cl1' Cl1' 167.3(16) . 2_665 ?
Cl4 C82 Cl6 111.5(2) . . ?
Cl4 C82 Cl5 110.0(2) . . ?
Cl6 C82 Cl5 109.98(18) . . ?
Cl4 C82 H82A 108.4 . . ?
Cl6 C82 H82A 108.4 . . ?
Cl5 C82 H82A 108.4 . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.577
_refine_diff_density_min         -1.305
_refine_diff_density_rms         0.124

