# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_shelxl
_database_code_depnum_ccdc_archive 'CCDC 1578722'
_audit_update_record             
;
2018-10-04 deposited with the CCDC.
2019-01-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H36 Cl Cu P2 Te'
_chemical_formula_weight         901.30

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'
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 '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)/n

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

_cell_length_a                   15.6855(3)
_cell_length_b                   14.9114(3)
_cell_length_c                   16.6800(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.6890(10)
_cell_angle_gamma                90.00
_cell_volume                     3888.27(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    100
_cell_measurement_reflns_used    9648
_cell_measurement_theta_min      2.19
_cell_measurement_theta_max      28.03

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.540
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1808
_exptl_absorpt_coefficient_mu    1.483
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6982
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100
_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 Venture D8 CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            334709
_diffrn_reflns_av_R_equivalents  0.0930
_diffrn_reflns_av_sigmaI/netI    0.0224
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.19
_diffrn_reflns_theta_max         28.50
_reflns_number_total             9734
_reflns_number_gt                9316
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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. 
;
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.111 0.021 0.167 23 1 ' '
2 0.588 0.133 0.326 11 1 ' '
3 0.088 0.367 0.826 11 1 ' '
4 0.611 0.479 0.667 23 1 ' '
5 0.389 0.521 0.333 23 1 ' '
6 0.912 0.633 0.174 11 1 ' '
7 0.412 0.867 0.674 11 1 ' '
8 0.889 0.979 0.833 23 1 ' '
_platon_squeeze_details          
;
;
_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+3.6189P] 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         9734
_refine_ls_number_parameters     478
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0491
_refine_ls_R_factor_gt           0.0439
_refine_ls_wR_factor_ref         0.0724
_refine_ls_wR_factor_gt          0.0708
_refine_ls_goodness_of_fit_ref   1.225
_refine_ls_restrained_S_all      1.225
_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
C1 C 0.6151(2) 0.7994(2) 0.38512(16) 0.0315(6) Uani 1 1 d . . .
H1A H 0.6574 0.7869 0.4294 0.038 Uiso 1 1 calc R . .
H1B H 0.5590 0.7828 0.4009 0.038 Uiso 1 1 calc R . .
C2 C 0.61714(18) 0.89896(19) 0.36123(16) 0.0281(6) Uani 1 1 d . . .
H2A H 0.5608 0.9257 0.3620 0.034 Uiso 1 1 calc R . .
H2B H 0.6570 0.9320 0.3976 0.034 Uiso 1 1 calc R . .
C3 C 0.36028(16) 0.63867(19) -0.15641(16) 0.0254(6) Uani 1 1 d . . .
H3A H 0.3286 0.6924 -0.1449 0.030 Uiso 1 1 calc R . .
H3B H 0.3231 0.5871 -0.1529 0.030 Uiso 1 1 calc R . .
C4 C 0.39461(16) 0.6446(2) -0.24100(17) 0.0283(6) Uani 1 1 d . . .
H4A H 0.3774 0.5925 -0.2732 0.034 Uiso 1 1 calc R . .
H4B H 0.3735 0.6981 -0.2691 0.034 Uiso 1 1 calc R . .
C10 C 0.67862(15) 0.69084(17) 0.15815(14) 0.0188(5) Uani 1 1 d . . .
C11 C 0.66006(18) 0.63232(18) 0.21934(15) 0.0261(6) Uani 1 1 d . . .
H11 H 0.6616 0.5711 0.2089 0.031 Uiso 1 1 calc R . .
C12 C 0.6391(2) 0.6598(2) 0.29567(16) 0.0318(6) Uani 1 1 d . . .
H12 H 0.6282 0.6180 0.3349 0.038 Uiso 1 1 calc R . .
C13 C 0.63539(17) 0.74914(19) 0.31057(15) 0.0243(5) Uani 1 1 d . . .
C14 C 0.65341(14) 0.81058(17) 0.24958(14) 0.0186(5) Uani 1 1 d . . .
C15 C 0.64594(15) 0.89912(18) 0.27720(15) 0.0214(5) Uani 1 1 d . . .
C16 C 0.66426(18) 0.96801(18) 0.22845(15) 0.0264(6) Uani 1 1 d . . .
H16 H 0.6618 1.0271 0.2458 0.032 Uiso 1 1 calc R . .
C17 C 0.68716(17) 0.94730(17) 0.15060(15) 0.0246(5) Uani 1 1 d . . .
H17 H 0.6989 0.9949 0.1171 0.029 Uiso 1 1 calc R . .
C18 C 0.69349(15) 0.86161(16) 0.12044(14) 0.0175(5) Uani 1 1 d . . .
C19 C 0.67683(14) 0.78622(16) 0.17163(14) 0.0163(5) Uani 1 1 d . . .
C20 C 0.77414(16) 0.96234(16) 0.00033(14) 0.0193(5) Uani 1 1 d . . .
C21 C 0.86070(16) 0.97094(18) 0.02485(16) 0.0251(5) Uani 1 1 d . . .
H21 H 0.8905 0.9224 0.0483 0.030 Uiso 1 1 calc R . .
C22 C 0.90273(18) 1.05133(19) 0.01448(18) 0.0305(6) Uani 1 1 d . . .
H22 H 0.9603 1.0570 0.0321 0.037 Uiso 1 1 calc R . .
C23 C 0.85953(19) 1.12289(19) -0.02186(16) 0.0302(6) Uani 1 1 d . . .
H23 H 0.8883 1.1763 -0.0297 0.036 Uiso 1 1 calc R . .
C24 C 0.7738(2) 1.11544(19) -0.04658(16) 0.0307(6) Uani 1 1 d . . .
H24 H 0.7446 1.1641 -0.0705 0.037 Uiso 1 1 calc R . .
C25 C 0.73081(18) 1.03520(17) -0.03574(15) 0.0257(6) Uani 1 1 d . . .
H25 H 0.6730 1.0303 -0.0526 0.031 Uiso 1 1 calc R . .
C30 C 0.62182(15) 0.86221(15) -0.04387(15) 0.0186(5) Uani 1 1 d . . .
C35 C 0.62190(17) 0.86799(17) -0.12774(15) 0.0238(5) Uani 1 1 d . . .
H35 H 0.6736 0.8707 -0.1512 0.029 Uiso 1 1 calc R . .
C34 C 0.5461(2) 0.86975(18) -0.17594(17) 0.0320(6) Uani 1 1 d . . .
H34 H 0.5467 0.8757 -0.2314 0.038 Uiso 1 1 calc R . .
C33 C 0.46863(19) 0.86260(19) -0.1412(2) 0.0356(7) Uani 1 1 d . . .
H33 H 0.4176 0.8618 -0.1737 0.043 Uiso 1 1 calc R . .
C32 C 0.46732(18) 0.8567(2) -0.05899(19) 0.0335(7) Uani 1 1 d . . .
H32 H 0.4155 0.8522 -0.0360 0.040 Uiso 1 1 calc R . .
C31 C 0.54350(16) 0.85743(18) -0.01056(17) 0.0257(6) Uani 1 1 d . . .
H31 H 0.5422 0.8547 0.0450 0.031 Uiso 1 1 calc R . .
C40 C 0.60459(14) 0.62538(15) -0.01945(14) 0.0156(4) Uani 1 1 d . . .
C41 C 0.53167(15) 0.61210(16) 0.02019(14) 0.0192(5) Uani 1 1 d . . .
H41 H 0.5381 0.6001 0.0751 0.023 Uiso 1 1 calc R . .
C42 C 0.44823(15) 0.61563(17) -0.01772(15) 0.0211(5) Uani 1 1 d . . .
H42 H 0.4007 0.6087 0.0116 0.025 Uiso 1 1 calc R . .
C43 C 0.43916(15) 0.62948(16) -0.09865(16) 0.0206(5) Uani 1 1 d . . .
C44 C 0.51300(14) 0.63848(15) -0.14116(14) 0.0171(5) Uani 1 1 d . . .
C45 C 0.49063(15) 0.64806(17) -0.22464(15) 0.0213(5) Uani 1 1 d . . .
C46 C 0.55392(16) 0.65863(18) -0.27534(15) 0.0234(5) Uani 1 1 d . . .
H46 H 0.5410 0.6646 -0.3305 0.028 Uiso 1 1 calc R . .
C47 C 0.63942(15) 0.66023(17) -0.24188(14) 0.0203(5) Uani 1 1 d . . .
H47 H 0.6824 0.6675 -0.2766 0.024 Uiso 1 1 calc R . .
C48 C 0.66323(14) 0.65167(16) -0.16039(14) 0.0158(4) Uani 1 1 d . . .
C49 C 0.59817(14) 0.63893(15) -0.10516(14) 0.0156(4) Uani 1 1 d . . .
C50 C 0.80704(15) 0.54208(16) -0.11416(14) 0.0170(5) Uani 1 1 d . . .
C55 C 0.89025(15) 0.52536(17) -0.08176(15) 0.0208(5) Uani 1 1 d . . .
H55 H 0.9249 0.5727 -0.0629 0.025 Uiso 1 1 calc R . .
C54 C 0.92146(17) 0.43847(18) -0.07752(16) 0.0249(5) Uani 1 1 d . . .
H54 H 0.9775 0.4278 -0.0572 0.030 Uiso 1 1 calc R . .
C53 C 0.86961(18) 0.36779(17) -0.10337(16) 0.0270(6) Uani 1 1 d . . .
H53 H 0.8910 0.3096 -0.1009 0.032 Uiso 1 1 calc R . .
C52 C 0.78615(19) 0.38313(19) -0.13296(19) 0.0326(6) Uani 1 1 d . . .
H52 H 0.7508 0.3352 -0.1488 0.039 Uiso 1 1 calc R . .
C51 C 0.75502(16) 0.47053(17) -0.13909(16) 0.0249(5) Uani 1 1 d . . .
H51 H 0.6991 0.4809 -0.1600 0.030 Uiso 1 1 calc R . .
C60 C 0.83579(15) 0.69213(17) -0.21110(14) 0.0200(5) Uani 1 1 d . . .
C65 C 0.86472(17) 0.78020(18) -0.21317(17) 0.0272(6) Uani 1 1 d . . .
H65 H 0.8481 0.8215 -0.1757 0.033 Uiso 1 1 calc R . .
C64 C 0.91832(18) 0.8067(2) -0.27101(19) 0.0346(7) Uani 1 1 d . . .
H64 H 0.9365 0.8660 -0.2730 0.042 Uiso 1 1 calc R . .
C63 C 0.94457(17) 0.7450(2) -0.32555(17) 0.0315(7) Uani 1 1 d . . .
H63 H 0.9805 0.7629 -0.3642 0.038 Uiso 1 1 calc R . .
C62 C 0.91787(18) 0.6575(2) -0.32303(16) 0.0316(6) Uani 1 1 d . . .
H62 H 0.9366 0.6160 -0.3593 0.038 Uiso 1 1 calc R . .
C61 C 0.86297(16) 0.6308(2) -0.26632(15) 0.0263(6) Uani 1 1 d . . .
H61 H 0.8443 0.5717 -0.2653 0.032 Uiso 1 1 calc R . .
P1 P 0.72364(4) 0.85399(4) 0.01610(4) 0.01547(12) Uani 1 1 d . . .
P2 P 0.77622(4) 0.65951(4) -0.12591(4) 0.01481(12) Uani 1 1 d . . .
Cl1 Cl 0.94322(4) 0.74570(4) 0.03236(4) 0.02732(14) Uani 1 1 d . . .
Cu1 Cu 0.803819(18) 0.737908(19) -0.012611(17) 0.01585(7) Uani 1 1 d . . .
Te1 Te 0.720041(9) 0.618862(10) 0.058550(9) 0.01609(5) 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
C1 C13 1.508(4) . ?
C1 C2 1.539(4) . ?
C2 C15 1.507(3) . ?
C3 C43 1.511(3) . ?
C3 C4 1.553(4) . ?
C4 C45 1.509(3) . ?
C10 C11 1.392(3) . ?
C10 C19 1.441(3) . ?
C10 Te1 2.124(2) . ?
C11 C12 1.402(4) . ?
C12 C13 1.357(4) . ?
C13 C14 1.415(3) . ?
C14 C15 1.406(4) . ?
C14 C19 1.427(3) . ?
C15 C16 1.355(4) . ?
C16 C17 1.409(3) . ?
C17 C18 1.380(3) . ?
C18 C19 1.448(3) . ?
C18 P1 1.844(2) . ?
C20 C21 1.392(4) . ?
C20 C25 1.392(4) . ?
C20 P1 1.828(3) . ?
C21 C22 1.386(4) . ?
C22 C23 1.378(4) . ?
C23 C24 1.378(4) . ?
C24 C25 1.393(4) . ?
C30 C31 1.391(3) . ?
C30 C35 1.402(3) . ?
C30 P1 1.818(2) . ?
C35 C34 1.380(4) . ?
C34 C33 1.392(4) . ?
C33 C32 1.376(4) . ?
C32 C31 1.387(4) . ?
C40 C41 1.381(3) . ?
C40 C49 1.439(3) . ?
C40 Te1 2.144(2) . ?
C41 C42 1.407(3) . ?
C42 C43 1.361(4) . ?
C43 C44 1.413(3) . ?
C44 C45 1.415(3) . ?
C44 C49 1.419(3) . ?
C45 C46 1.365(3) . ?
C46 C47 1.410(3) . ?
C47 C48 1.386(3) . ?
C48 C49 1.442(3) . ?
C48 P2 1.822(2) . ?
C50 C51 1.386(3) . ?
C50 C55 1.394(3) . ?
C50 P2 1.823(2) . ?
C55 C54 1.385(4) . ?
C54 C53 1.379(4) . ?
C53 C52 1.380(4) . ?
C52 C51 1.393(4) . ?
C60 C61 1.389(4) . ?
C60 C65 1.391(4) . ?
C60 P2 1.829(2) . ?
C65 C64 1.388(4) . ?
C64 C63 1.380(4) . ?
C63 C62 1.373(4) . ?
C62 C61 1.388(3) . ?
P1 Cu1 2.2149(6) . ?
P2 Cu1 2.2342(7) . ?
Cl1 Cu1 2.2560(6) . ?
Cu1 Te1 2.5577(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
C13 C1 C2 104.8(2) . . ?
C15 C2 C1 104.9(2) . . ?
C43 C3 C4 104.9(2) . . ?
C45 C4 C3 104.6(2) . . ?
C11 C10 C19 119.8(2) . . ?
C11 C10 Te1 110.64(18) . . ?
C19 C10 Te1 129.21(17) . . ?
C10 C11 C12 124.2(3) . . ?
C13 C12 C11 118.0(2) . . ?
C12 C13 C14 119.3(2) . . ?
C12 C13 C1 130.8(2) . . ?
C14 C13 C1 109.8(2) . . ?
C15 C14 C13 110.2(2) . . ?
C15 C14 C19 124.9(2) . . ?
C13 C14 C19 124.9(2) . . ?
C16 C15 C14 119.2(2) . . ?
C16 C15 C2 130.8(2) . . ?
C14 C15 C2 110.0(2) . . ?
C15 C16 C17 118.0(2) . . ?
C18 C17 C16 124.8(2) . . ?
C17 C18 C19 118.8(2) . . ?
C17 C18 P1 115.65(18) . . ?
C19 C18 P1 125.54(18) . . ?
C14 C19 C10 113.8(2) . . ?
C14 C19 C18 114.3(2) . . ?
C10 C19 C18 131.9(2) . . ?
C21 C20 C25 119.0(2) . . ?
C21 C20 P1 117.59(19) . . ?
C25 C20 P1 123.4(2) . . ?
C22 C21 C20 120.4(3) . . ?
C23 C22 C21 120.2(3) . . ?
C24 C23 C22 120.1(3) . . ?
C23 C24 C25 120.1(3) . . ?
C20 C25 C24 120.1(3) . . ?
C31 C30 C35 118.3(2) . . ?
C31 C30 P1 122.8(2) . . ?
C35 C30 P1 118.75(19) . . ?
C34 C35 C30 120.8(3) . . ?
C35 C34 C33 119.7(3) . . ?
C32 C33 C34 120.3(3) . . ?
C33 C32 C31 119.9(3) . . ?
C32 C31 C30 121.0(3) . . ?
C41 C40 C49 120.2(2) . . ?
C41 C40 Te1 113.22(17) . . ?
C49 C40 Te1 126.60(16) . . ?
C40 C41 C42 123.7(2) . . ?
C43 C42 C41 118.0(2) . . ?
C42 C43 C44 119.2(2) . . ?
C42 C43 C3 131.3(2) . . ?
C44 C43 C3 109.5(2) . . ?
C43 C44 C45 110.8(2) . . ?
C43 C44 C49 124.8(2) . . ?
C45 C44 C49 124.4(2) . . ?
C46 C45 C44 119.1(2) . . ?
C46 C45 C4 131.1(2) . . ?
C44 C45 C4 109.7(2) . . ?
C45 C46 C47 118.2(2) . . ?
C48 C47 C46 123.9(2) . . ?
C47 C48 C49 119.4(2) . . ?
C47 C48 P2 118.75(17) . . ?
C49 C48 P2 121.86(17) . . ?
C44 C49 C40 114.0(2) . . ?
C44 C49 C48 114.9(2) . . ?
C40 C49 C48 131.1(2) . . ?
C51 C50 C55 119.2(2) . . ?
C51 C50 P2 124.24(19) . . ?
C55 C50 P2 116.44(18) . . ?
C54 C55 C50 120.2(2) . . ?
C53 C54 C55 120.1(2) . . ?
C54 C53 C52 120.2(2) . . ?
C53 C52 C51 119.9(3) . . ?
C50 C51 C52 120.3(2) . . ?
C61 C60 C65 119.1(2) . . ?
C61 C60 P2 122.9(2) . . ?
C65 C60 P2 117.3(2) . . ?
C64 C65 C60 120.3(3) . . ?
C63 C64 C65 119.9(3) . . ?
C62 C63 C64 120.4(2) . . ?
C63 C62 C61 120.1(3) . . ?
C62 C61 C60 120.3(3) . . ?
C30 P1 C20 103.46(11) . . ?
C30 P1 C18 103.51(11) . . ?
C20 P1 C18 103.24(11) . . ?
C30 P1 Cu1 114.99(8) . . ?
C20 P1 Cu1 113.53(8) . . ?
C18 P1 Cu1 116.50(8) . . ?
C48 P2 C50 102.41(11) . . ?
C48 P2 C60 108.50(11) . . ?
C50 P2 C60 101.02(11) . . ?
C48 P2 Cu1 114.64(8) . . ?
C50 P2 Cu1 112.35(8) . . ?
C60 P2 Cu1 116.23(9) . . ?
P1 Cu1 P2 121.17(3) . . ?
P1 Cu1 Cl1 116.10(3) . . ?
P2 Cu1 Cl1 115.07(3) . . ?
P1 Cu1 Te1 96.874(18) . . ?
P2 Cu1 Te1 87.594(18) . . ?
Cl1 Cu1 Te1 113.72(2) . . ?
C10 Te1 C40 98.89(9) . . ?
C10 Te1 Cu1 102.35(7) . . ?
C40 Te1 Cu1 97.32(6) . . ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        28.50
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         1.087
_refine_diff_density_min         -0.402
_refine_diff_density_rms         0.086
####################################################################### 
# 
# 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_shelxl_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1578723'
_audit_update_record             
;
2018-10-04 deposited with the CCDC.
2019-01-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H36 Ag Cl P2 Te'
_chemical_formula_weight         945.63

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'
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 '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                   11.1426(4)
_cell_length_b                   11.8187(5)
_cell_length_c                   17.8258(8)
_cell_angle_alpha                90.5390(10)
_cell_angle_beta                 96.9640(10)
_cell_angle_gamma                112.5560(10)
_cell_volume                     2147.92(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    100
_cell_measurement_reflns_used    9845
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      28.51

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.462
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             940
_exptl_absorpt_coefficient_mu    1.303
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7080
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100
_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 Venture D8 CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            119139
_diffrn_reflns_av_R_equivalents  0.0659
_diffrn_reflns_av_sigmaI/netI    0.0510
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.26
_diffrn_reflns_theta_max         30.10
_reflns_number_total             12570
_reflns_number_gt                9851
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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. 
;
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.039 0.461 0.500 336 91 ' '
_platon_squeeze_details          
;
;
_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)+(0.0286P)²+1.1393P] 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         12570
_refine_ls_number_parameters     478
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0623
_refine_ls_R_factor_gt           0.0372
_refine_ls_wR_factor_ref         0.0691
_refine_ls_wR_factor_gt          0.0643
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_restrained_S_all      1.056
_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
C1 C -0.1114(2) 0.2982(3) 0.11824(15) 0.0259(6) Uani 1 1 d . . .
H1A H -0.1359 0.3647 0.1330 0.031 Uiso 1 1 calc R . .
H1B H -0.1869 0.2214 0.1168 0.031 Uiso 1 1 calc R . .
C2 C -0.0613(2) 0.3182(3) 0.04073(16) 0.0246(6) Uani 1 1 d . . .
H2A H -0.1151 0.2508 0.0045 0.030 Uiso 1 1 calc R . .
H2B H -0.0623 0.3942 0.0212 0.030 Uiso 1 1 calc R . .
C3 C 0.2015(3) 0.0973(2) 0.62495(14) 0.0231(6) Uani 1 1 d . . .
H3A H 0.1491 0.1351 0.6465 0.028 Uiso 1 1 calc R . .
H3B H 0.2722 0.0998 0.6634 0.028 Uiso 1 1 calc R . .
C4 C 0.1166(2) -0.0358(2) 0.59546(14) 0.0200(5) Uani 1 1 d . . .
H4A H 0.1451 -0.0931 0.6234 0.024 Uiso 1 1 calc R . .
H4B H 0.0250 -0.0552 0.6000 0.024 Uiso 1 1 calc R . .
C10 C 0.2425(2) 0.2991(2) 0.24686(13) 0.0135(5) Uani 1 1 d . . .
C11 C 0.1387(2) 0.2911(2) 0.28522(14) 0.0173(5) Uani 1 1 d . . .
H11 H 0.1500 0.2891 0.3377 0.021 Uiso 1 1 calc R . .
C12 C 0.0169(2) 0.2858(2) 0.24887(15) 0.0192(5) Uani 1 1 d . . .
H12 H -0.0519 0.2760 0.2763 0.023 Uiso 1 1 calc R . .
C13 C 0.0024(2) 0.2954(2) 0.17245(15) 0.0176(5) Uani 1 1 d . . .
C14 C 0.1084(2) 0.3079(2) 0.13278(14) 0.0140(5) Uani 1 1 d . . .
C15 C 0.0772(2) 0.3237(2) 0.05559(14) 0.0171(5) Uani 1 1 d . . .
C16 C 0.1687(2) 0.3393(2) 0.00821(14) 0.0181(5) Uani 1 1 d . . .
H16 H 0.1528 0.3545 -0.0423 0.022 Uiso 1 1 calc R . .
C17 C 0.2885(2) 0.3317(2) 0.03799(14) 0.0164(5) Uani 1 1 d . . .
H17 H 0.3495 0.3394 0.0051 0.020 Uiso 1 1 calc R . .
C18 C 0.3208(2) 0.3134(2) 0.11300(13) 0.0129(5) Uani 1 1 d . . .
C19 C 0.2300(2) 0.3056(2) 0.16612(13) 0.0129(5) Uani 1 1 d . . .
C20 C 0.5952(2) 0.4356(2) 0.17176(13) 0.0142(5) Uani 1 1 d . . .
C21 C 0.5799(2) 0.5453(2) 0.15536(14) 0.0192(5) Uani 1 1 d . . .
H21 H 0.5033 0.5432 0.1270 0.023 Uiso 1 1 calc R . .
C22 C 0.6784(3) 0.6568(2) 0.18120(16) 0.0249(6) Uani 1 1 d . . .
H22 H 0.6679 0.7295 0.1702 0.030 Uiso 1 1 calc R . .
C23 C 0.7926(3) 0.6603(2) 0.22343(16) 0.0247(6) Uani 1 1 d . . .
H23 H 0.8594 0.7354 0.2400 0.030 Uiso 1 1 calc R . .
C24 C 0.8078(2) 0.5524(2) 0.24114(15) 0.0238(6) Uani 1 1 d . . .
H24 H 0.8843 0.5551 0.2700 0.029 Uiso 1 1 calc R . .
C25 C 0.7086(2) 0.4397(2) 0.21575(14) 0.0182(5) Uani 1 1 d . . .
H25 H 0.7184 0.3672 0.2282 0.022 Uiso 1 1 calc R . .
C30 C 0.5154(2) 0.2572(2) 0.04559(13) 0.0151(5) Uani 1 1 d . . .
C31 C 0.4491(3) 0.1405(2) 0.00970(15) 0.0217(5) Uani 1 1 d . . .
H31 H 0.3868 0.0801 0.0333 0.026 Uiso 1 1 calc R . .
C32 C 0.4754(3) 0.1139(3) -0.06106(15) 0.0268(6) Uani 1 1 d . . .
H32 H 0.4290 0.0367 -0.0855 0.032 Uiso 1 1 calc R . .
C33 C 0.5716(3) 0.2033(3) -0.09504(15) 0.0279(6) Uani 1 1 d . . .
H33 H 0.5901 0.1858 -0.1422 0.034 Uiso 1 1 calc R . .
C34 C 0.6394(3) 0.3177(3) -0.05900(14) 0.0239(6) Uani 1 1 d . . .
H34 H 0.7044 0.3769 -0.0817 0.029 Uiso 1 1 calc R . .
C35 C 0.6115(2) 0.3452(2) 0.01067(14) 0.0191(5) Uani 1 1 d . . .
H35 H 0.6572 0.4230 0.0344 0.023 Uiso 1 1 calc R . .
C40 C 0.3328(2) 0.2328(2) 0.41375(13) 0.0154(5) Uani 1 1 d . . .
C41 C 0.3617(2) 0.3155(2) 0.47538(14) 0.0209(5) Uani 1 1 d . . .
H41 H 0.4072 0.3982 0.4686 0.025 Uiso 1 1 calc R . .
C42 C 0.3266(3) 0.2824(2) 0.54760(14) 0.0220(5) Uani 1 1 d . . .
H42 H 0.3513 0.3410 0.5878 0.026 Uiso 1 1 calc R . .
C43 C 0.2551(2) 0.1619(2) 0.55682(14) 0.0185(5) Uani 1 1 d . . .
C44 C 0.2187(2) 0.0765(2) 0.49387(13) 0.0151(5) Uani 1 1 d . . .
C45 C 0.1364(2) -0.0406(2) 0.51352(14) 0.0164(5) Uani 1 1 d . . .
C46 C 0.0877(2) -0.1352(2) 0.45972(14) 0.0183(5) Uani 1 1 d . . .
H46 H 0.0291 -0.2121 0.4701 0.022 Uiso 1 1 calc R . .
C47 C 0.1288(2) -0.1130(2) 0.38815(14) 0.0169(5) Uani 1 1 d . . .
H47 H 0.0972 -0.1785 0.3520 0.020 Uiso 1 1 calc R . .
C48 C 0.2130(2) -0.0008(2) 0.36720(13) 0.0133(5) Uani 1 1 d . . .
C49 C 0.2577(2) 0.1043(2) 0.42056(13) 0.0132(5) Uani 1 1 d . . .
C50 C 0.1190(2) -0.0251(2) 0.20718(13) 0.0134(5) Uani 1 1 d . . .
C51 C 0.0116(2) -0.0062(2) 0.22793(14) 0.0160(5) Uani 1 1 d . . .
H51 H 0.0110 0.0146 0.2783 0.019 Uiso 1 1 calc R . .
C52 C -0.0951(2) -0.0178(2) 0.17461(15) 0.0203(5) Uani 1 1 d . . .
H52 H -0.1655 -0.0031 0.1890 0.024 Uiso 1 1 calc R . .
C53 C -0.0958(3) -0.0513(2) 0.10040(15) 0.0233(6) Uani 1 1 d . . .
H53 H -0.1678 -0.0614 0.0647 0.028 Uiso 1 1 calc R . .
C54 C 0.0113(2) -0.0701(2) 0.07867(14) 0.0216(5) Uani 1 1 d . . .
H54 H 0.0105 -0.0928 0.0284 0.026 Uiso 1 1 calc R . .
C55 C 0.1183(2) -0.0555(2) 0.13107(14) 0.0184(5) Uani 1 1 d . . .
H55 H 0.1906 -0.0658 0.1158 0.022 Uiso 1 1 calc R . .
C60 C 0.2723(2) -0.1585(2) 0.26838(13) 0.0157(5) Uani 1 1 d . . .
C61 C 0.1719(3) -0.2644(2) 0.23351(15) 0.0219(5) Uani 1 1 d . . .
H61 H 0.0933 -0.2609 0.2117 0.026 Uiso 1 1 calc R . .
C62 C 0.1882(3) -0.3743(2) 0.23111(17) 0.0308(7) Uani 1 1 d . . .
H62 H 0.1208 -0.4441 0.2074 0.037 Uiso 1 1 calc R . .
C63 C 0.3035(3) -0.3810(3) 0.26353(19) 0.0380(8) Uani 1 1 d . . .
H63 H 0.3133 -0.4557 0.2626 0.046 Uiso 1 1 calc R . .
C64 C 0.4047(3) -0.2769(3) 0.29750(18) 0.0357(7) Uani 1 1 d . . .
H64 H 0.4831 -0.2812 0.3188 0.043 Uiso 1 1 calc R . .
C65 C 0.3895(3) -0.1658(2) 0.29989(15) 0.0242(6) Uani 1 1 d . . .
H65 H 0.4579 -0.0958 0.3227 0.029 Uiso 1 1 calc R . .
P1 P 0.47113(6) 0.28509(5) 0.13733(3) 0.01219(12) Uani 1 1 d . . .
P2 P 0.26381(6) -0.00725(5) 0.27302(3) 0.01221(12) Uani 1 1 d . . .
Cl1 Cl 0.67190(6) 0.10523(7) 0.25337(4) 0.02939(16) Uani 1 1 d . . .
Ag1 Ag 0.465888(16) 0.139210(16) 0.235804(10) 0.01457(5) Uani 1 1 d . . .
Te1 Te 0.419529(14) 0.323945(14) 0.320024(9) 0.01361(4) 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
C1 C13 1.509(3) . ?
C1 C2 1.539(4) . ?
C2 C15 1.509(3) . ?
C3 C43 1.503(3) . ?
C3 C4 1.538(4) . ?
C4 C45 1.507(3) . ?
C10 C11 1.387(3) . ?
C10 C19 1.435(3) . ?
C10 Te1 2.146(2) . ?
C11 C12 1.409(3) . ?
C12 C13 1.363(4) . ?
C13 C14 1.409(3) . ?
C14 C15 1.410(3) . ?
C14 C19 1.423(3) . ?
C15 C16 1.362(3) . ?
C16 C17 1.411(3) . ?
C17 C18 1.383(3) . ?
C18 C19 1.447(3) . ?
C18 P1 1.833(2) . ?
C20 C25 1.388(3) . ?
C20 C21 1.400(3) . ?
C20 P1 1.827(2) . ?
C21 C22 1.381(4) . ?
C22 C23 1.384(4) . ?
C23 C24 1.384(4) . ?
C24 C25 1.392(3) . ?
C30 C35 1.391(3) . ?
C30 C31 1.394(3) . ?
C30 P1 1.827(2) . ?
C31 C32 1.389(4) . ?
C32 C33 1.391(4) . ?
C33 C34 1.376(4) . ?
C34 C35 1.382(3) . ?
C40 C41 1.385(3) . ?
C40 C49 1.440(3) . ?
C40 Te1 2.124(2) . ?
C41 C42 1.406(4) . ?
C42 C43 1.362(4) . ?
C43 C44 1.414(3) . ?
C44 C45 1.411(3) . ?
C44 C49 1.429(3) . ?
C45 C46 1.361(3) . ?
C46 C47 1.401(3) . ?
C47 C48 1.385(3) . ?
C48 C49 1.443(3) . ?
C48 P2 1.846(2) . ?
C50 C51 1.389(3) . ?
C50 C55 1.399(3) . ?
C50 P2 1.817(2) . ?
C51 C52 1.391(3) . ?
C52 C53 1.376(4) . ?
C53 C54 1.392(4) . ?
C54 C55 1.376(3) . ?
C60 C65 1.392(3) . ?
C60 C61 1.395(3) . ?
C60 P2 1.828(2) . ?
C61 C62 1.379(4) . ?
C62 C63 1.375(4) . ?
C63 C64 1.382(4) . ?
C64 C65 1.388(4) . ?
P1 Ag1 2.4621(6) . ?
P2 Ag1 2.4290(6) . ?
Cl1 Ag1 2.4625(6) . ?
Ag1 Te1 2.8774(2) . ?

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
C13 C1 C2 104.9(2) . . ?
C15 C2 C1 104.9(2) . . ?
C43 C3 C4 105.2(2) . . ?
C45 C4 C3 104.6(2) . . ?
C11 C10 C19 120.0(2) . . ?
C11 C10 Te1 113.73(17) . . ?
C19 C10 Te1 125.83(16) . . ?
C10 C11 C12 123.4(2) . . ?
C13 C12 C11 118.4(2) . . ?
C12 C13 C14 119.0(2) . . ?
C12 C13 C1 131.2(2) . . ?
C14 C13 C1 109.8(2) . . ?
C13 C14 C15 110.5(2) . . ?
C13 C14 C19 124.7(2) . . ?
C15 C14 C19 124.8(2) . . ?
C16 C15 C14 119.0(2) . . ?
C16 C15 C2 131.2(2) . . ?
C14 C15 C2 109.8(2) . . ?
C15 C16 C17 118.1(2) . . ?
C18 C17 C16 124.2(2) . . ?
C17 C18 C19 119.2(2) . . ?
C17 C18 P1 117.13(17) . . ?
C19 C18 P1 123.41(17) . . ?
C14 C19 C10 114.4(2) . . ?
C14 C19 C18 114.4(2) . . ?
C10 C19 C18 131.2(2) . . ?
C25 C20 C21 119.4(2) . . ?
C25 C20 P1 117.90(18) . . ?
C21 C20 P1 122.66(18) . . ?
C22 C21 C20 120.2(2) . . ?
C21 C22 C23 120.0(2) . . ?
C22 C23 C24 120.2(2) . . ?
C23 C24 C25 120.1(2) . . ?
C20 C25 C24 120.0(2) . . ?
C35 C30 C31 119.0(2) . . ?
C35 C30 P1 123.56(19) . . ?
C31 C30 P1 117.43(18) . . ?
C32 C31 C30 120.5(2) . . ?
C31 C32 C33 119.5(3) . . ?
C34 C33 C32 120.2(2) . . ?
C33 C34 C35 120.4(2) . . ?
C34 C35 C30 120.4(2) . . ?
C41 C40 C49 120.0(2) . . ?
C41 C40 Te1 110.41(17) . . ?
C49 C40 Te1 129.52(17) . . ?
C40 C41 C42 124.2(2) . . ?
C43 C42 C41 117.9(2) . . ?
C42 C43 C44 119.0(2) . . ?
C42 C43 C3 131.3(2) . . ?
C44 C43 C3 109.7(2) . . ?
C45 C44 C43 110.2(2) . . ?
C45 C44 C49 124.7(2) . . ?
C43 C44 C49 125.2(2) . . ?
C46 C45 C44 119.1(2) . . ?
C46 C45 C4 130.9(2) . . ?
C44 C45 C4 110.0(2) . . ?
C45 C46 C47 117.9(2) . . ?
C48 C47 C46 124.9(2) . . ?
C47 C48 C49 118.9(2) . . ?
C47 C48 P2 113.84(17) . . ?
C49 C48 P2 127.12(17) . . ?
C44 C49 C40 113.5(2) . . ?
C44 C49 C48 114.2(2) . . ?
C40 C49 C48 132.3(2) . . ?
C51 C50 C55 118.6(2) . . ?
C51 C50 P2 123.61(18) . . ?
C55 C50 P2 117.73(17) . . ?
C50 C51 C52 121.1(2) . . ?
C53 C52 C51 119.5(2) . . ?
C52 C53 C54 120.1(2) . . ?
C55 C54 C53 120.4(2) . . ?
C54 C55 C50 120.3(2) . . ?
C65 C60 C61 118.7(2) . . ?
C65 C60 P2 116.73(19) . . ?
C61 C60 P2 124.53(19) . . ?
C62 C61 C60 120.5(3) . . ?
C63 C62 C61 120.4(3) . . ?
C62 C63 C64 120.0(3) . . ?
C63 C64 C65 120.1(3) . . ?
C64 C65 C60 120.3(3) . . ?
C30 P1 C20 103.94(11) . . ?
C30 P1 C18 103.89(10) . . ?
C20 P1 C18 104.12(10) . . ?
C30 P1 Ag1 118.55(8) . . ?
C20 P1 Ag1 108.48(8) . . ?
C18 P1 Ag1 116.31(8) . . ?
C50 P2 C60 103.95(11) . . ?
C50 P2 C48 104.12(10) . . ?
C60 P2 C48 102.27(11) . . ?
C50 P2 Ag1 113.47(8) . . ?
C60 P2 Ag1 107.37(8) . . ?
C48 P2 Ag1 123.55(8) . . ?
P2 Ag1 P1 123.21(2) . . ?
P2 Ag1 Cl1 122.12(2) . . ?
P1 Ag1 Cl1 110.69(2) . . ?
P2 Ag1 Te1 86.843(15) . . ?
P1 Ag1 Te1 79.566(15) . . ?
Cl1 Ag1 Te1 124.307(19) . . ?
C40 Te1 C10 98.10(9) . . ?
C40 Te1 Ag1 104.33(6) . . ?
C10 Te1 Ag1 93.01(6) . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        30.10
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.601
_refine_diff_density_min         -0.482
_refine_diff_density_rms         0.106
####################################################################### 
# 
# 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_shelxl_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 1578724'
_audit_update_record             
;
2018-10-04 deposited with the CCDC.
2019-01-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C51 H42 Cl8 P2 Te'
_chemical_formula_weight         1127.99

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'
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'
Te Te -0.5308 1.6751 '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                   11.2428(2)
_cell_length_b                   15.3293(3)
_cell_length_c                   15.5607(3)
_cell_angle_alpha                95.6460(10)
_cell_angle_beta                 105.8810(10)
_cell_angle_gamma                110.3100(10)
_cell_volume                     2362.84(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    100
_cell_measurement_reflns_used    9291
_cell_measurement_theta_min      2.79
_cell_measurement_theta_max      30.02

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1132
_exptl_absorpt_coefficient_mu    1.186
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7050
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100
_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 Venture D8 CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            239735
_diffrn_reflns_av_R_equivalents  0.0595
_diffrn_reflns_av_sigmaI/netI    0.0214
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.21
_diffrn_reflns_theta_max         30.09
_reflns_number_total             13855
_reflns_number_gt                12259
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0223P)²+1.4657P] 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         13855
_refine_ls_number_parameters     559
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0307
_refine_ls_R_factor_gt           0.0231
_refine_ls_wR_factor_ref         0.0521
_refine_ls_wR_factor_gt          0.0498
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.004
_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
Te1 Te 0.586837(8) 0.797587(6) 0.672266(6) 0.00789(2) Uani 1 1 d . . .
P1 P 0.56188(3) 0.84227(2) 0.83370(2) 0.00977(6) Uani 1 1 d . . .
P2 P 0.32017(4) 0.62111(2) 0.65196(3) 0.01188(7) Uani 1 1 d . . .
Cl2 Cl 0.83449(3) 0.76576(2) 0.77916(2) 0.01612(7) Uani 1 1 d . . .
Cl1 Cl 0.61469(3) 0.79082(2) 0.51034(2) 0.01465(6) Uani 1 1 d . . .
Cl3 Cl 0.28989(4) 0.82272(3) 0.36594(3) 0.02314(8) Uani 1 1 d . . .
Cl6 Cl 0.70273(4) 0.78908(3) 0.29044(3) 0.02714(9) Uani 1 1 d . . .
Cl5 Cl 0.49675(4) 0.59648(3) 0.24757(3) 0.02723(9) Uani 1 1 d . . .
Cl8 Cl 1.12617(5) 0.66933(3) 0.95607(3) 0.03400(10) Uani 1 1 d . . .
Cl7 Cl 0.86172(5) 0.51375(4) 0.88921(4) 0.04209(12) Uani 1 1 d . . .
C19 C 0.78476(13) 0.97591(9) 0.81807(9) 0.0104(2) Uani 1 1 d . . .
C14 C 0.90401(13) 1.05790(10) 0.85418(9) 0.0115(2) Uani 1 1 d . . .
C30 C 0.54988(13) 0.75603(10) 0.90498(9) 0.0116(2) Uani 1 1 d . . .
C10 C 0.74511(13) 0.93655(9) 0.72309(9) 0.0098(2) Uani 1 1 d . . .
C11 C 0.82135(13) 0.97985(10) 0.67189(9) 0.0118(2) Uani 1 1 d . . .
H11 H 0.7931 0.9540 0.6096 0.014 Uiso 1 1 calc R . .
C48 C 0.22461(13) 0.69562(9) 0.62599(9) 0.0111(2) Uani 1 1 d . . .
C18 C 0.71936(13) 0.94172(10) 0.88122(9) 0.0116(2) Uani 1 1 d . . .
C49 C 0.28762(13) 0.78973(9) 0.61164(9) 0.0094(2) Uani 1 1 d . . .
C40 C 0.42481(13) 0.84320(9) 0.62049(9) 0.0097(2) Uani 1 1 d . . .
C42 C 0.37222(14) 0.97771(10) 0.57317(9) 0.0119(2) Uani 1 1 d . . .
H42 H 0.4004 1.0373 0.5586 0.014 Uiso 1 1 calc R . .
C41 C 0.46251(13) 0.93260(10) 0.60033(9) 0.0115(2) Uani 1 1 d . . .
H41 H 0.5517 0.9647 0.6049 0.014 Uiso 1 1 calc R . .
C44 C 0.20160(13) 0.83866(9) 0.58695(9) 0.0101(2) Uani 1 1 d . . .
C17 C 0.77349(15) 0.98730(10) 0.97268(10) 0.0160(3) Uani 1 1 d . . .
H17 H 0.7290 0.9631 1.0128 0.019 Uiso 1 1 calc R . .
Cl4 Cl 0.29540(6) 0.77100(4) 0.18256(3) 0.04214(12) Uani 1 1 d . . .
C31 C 0.50401(15) 0.76478(10) 0.97915(10) 0.0154(3) Uani 1 1 d . . .
H31 H 0.4741 0.8129 0.9898 0.018 Uiso 1 1 calc R . .
C13 C 0.98455(13) 1.10068(10) 0.80272(10) 0.0127(3) Uani 1 1 d . . .
C35 C 0.59406(14) 0.68334(10) 0.88857(10) 0.0143(3) Uani 1 1 d . . .
H35 H 0.6228 0.6767 0.8386 0.017 Uiso 1 1 calc R . .
C60 C 0.21325(14) 0.52434(10) 0.69152(10) 0.0142(3) Uani 1 1 d . . .
C43 C 0.24196(13) 0.93095(10) 0.56897(9) 0.0108(2) Uani 1 1 d . . .
C45 C 0.06520(14) 0.80281(10) 0.58147(10) 0.0132(3) Uani 1 1 d . . .
C15 C 0.95737(14) 1.10496(10) 0.94670(10) 0.0148(3) Uani 1 1 d . . .
C12 C 0.94183(14) 1.06280(10) 0.71093(10) 0.0140(3) Uani 1 1 d . . .
H12 H 0.9910 1.0910 0.6746 0.017 Uiso 1 1 calc R . .
C20 C 0.43257(14) 0.88707(10) 0.83042(9) 0.0123(3) Uani 1 1 d . . .
C4 C 0.00721(15) 0.87602(11) 0.55899(12) 0.0188(3) Uani 1 1 d . . .
H4A H -0.0236 0.8950 0.6074 0.023 Uiso 1 1 calc R . .
H4B H -0.0676 0.8512 0.5021 0.023 Uiso 1 1 calc R . .
C50 C 0.29990(14) 0.56266(10) 0.53791(10) 0.0135(3) Uani 1 1 d . . .
C1 C 1.10972(14) 1.18176(10) 0.86721(10) 0.0169(3) Uani 1 1 d . . .
H1A H 1.1233 1.2402 0.8450 0.020 Uiso 1 1 calc R . .
H1B H 1.1885 1.1670 0.8738 0.020 Uiso 1 1 calc R . .
C47 C 0.09008(14) 0.66200(10) 0.61953(10) 0.0143(3) Uani 1 1 d . . .
H47 H 0.0510 0.6011 0.6290 0.017 Uiso 1 1 calc R . .
C46 C 0.00948(14) 0.71508(10) 0.59944(10) 0.0158(3) Uani 1 1 d . . .
H46 H -0.0792 0.6910 0.5984 0.019 Uiso 1 1 calc R . .
C21 C 0.45897(15) 0.98203(11) 0.82496(10) 0.0165(3) Uani 1 1 d . . .
H21 H 0.5450 1.0230 0.8298 0.020 Uiso 1 1 calc R . .
C33 C 0.54990(16) 0.63005(11) 1.02146(11) 0.0192(3) Uani 1 1 d . . .
H33 H 0.5511 0.5883 1.0609 0.023 Uiso 1 1 calc R . .
C3 C 0.12438(14) 0.96110(10) 0.55021(10) 0.0146(3) Uani 1 1 d . . .
H3A H 0.1017 0.9738 0.4892 0.018 Uiso 1 1 calc R . .
H3B H 0.1451 1.0180 0.5944 0.018 Uiso 1 1 calc R . .
C2 C 1.08247(15) 1.19137(11) 0.95984(11) 0.0197(3) Uani 1 1 d . . .
H2A H 1.1573 1.1921 1.0095 0.024 Uiso 1 1 calc R . .
H2B H 1.0683 1.2494 0.9733 0.024 Uiso 1 1 calc R . .
C16 C 0.89405(15) 1.06934(11) 1.00693(10) 0.0181(3) Uani 1 1 d . . .
H16 H 0.9296 1.0985 1.0687 0.022 Uiso 1 1 calc R . .
C32 C 0.50349(16) 0.70102(11) 1.03678(10) 0.0190(3) Uani 1 1 d . . .
H32 H 0.4720 0.7059 1.0857 0.023 Uiso 1 1 calc R . .
C51 C 0.24070(16) 0.58724(11) 0.45816(11) 0.0187(3) Uani 1 1 d . . .
H51 H 0.2088 0.6355 0.4617 0.022 Uiso 1 1 calc R . .
C34 C 0.59462(15) 0.62090(11) 0.94762(11) 0.0179(3) Uani 1 1 d . . .
H34 H 0.6251 0.5729 0.9376 0.022 Uiso 1 1 calc R . .
C61 C 0.11406(14) 0.44092(10) 0.63199(11) 0.0172(3) Uani 1 1 d . . .
H61 H 0.0999 0.4329 0.5695 0.021 Uiso 1 1 calc R . .
C7 C 0.97620(17) 0.61052(13) 0.86301(12) 0.0253(3) Uani 1 1 d . . .
H7A H 0.9351 0.6553 0.8464 0.030 Uiso 1 1 calc R . .
H7B H 0.9968 0.5877 0.8108 0.030 Uiso 1 1 calc R . .
C5 C 0.3662(2) 0.77579(15) 0.29949(12) 0.0312(4) Uani 1 1 d . . .
H5A H 0.4616 0.8151 0.3197 0.037 Uiso 1 1 calc R . .
H5B H 0.3559 0.7122 0.3085 0.037 Uiso 1 1 calc R . .
C25 C 0.30261(14) 0.82606(11) 0.82347(10) 0.0150(3) Uani 1 1 d . . .
H25 H 0.2847 0.7630 0.8276 0.018 Uiso 1 1 calc R . .
C24 C 0.20085(15) 0.85961(12) 0.81045(10) 0.0187(3) Uani 1 1 d . . .
H24 H 0.1147 0.8190 0.8058 0.022 Uiso 1 1 calc R . .
C55 C 0.34919(15) 0.49102(10) 0.53066(11) 0.0173(3) Uani 1 1 d . . .
H55 H 0.3923 0.4755 0.5834 0.021 Uiso 1 1 calc R . .
C65 C 0.23358(16) 0.53480(11) 0.78515(11) 0.0197(3) Uani 1 1 d . . .
H65 H 0.3010 0.5893 0.8256 0.024 Uiso 1 1 calc R . .
C62 C 0.03625(15) 0.36969(11) 0.66590(12) 0.0212(3) Uani 1 1 d . . .
H62 H -0.0286 0.3138 0.6260 0.025 Uiso 1 1 calc R . .
C22 C 0.35614(17) 1.01485(12) 0.81231(11) 0.0206(3) Uani 1 1 d . . .
H22 H 0.3737 1.0782 0.8092 0.025 Uiso 1 1 calc R . .
C54 C 0.33441(15) 0.44289(11) 0.44572(12) 0.0202(3) Uani 1 1 d . . .
H54 H 0.3648 0.3939 0.4418 0.024 Uiso 1 1 calc R . .
C23 C 0.22737(16) 0.95376(12) 0.80430(10) 0.0207(3) Uani 1 1 d . . .
H23 H 0.1587 0.9760 0.7948 0.025 Uiso 1 1 calc R . .
C53 C 0.27467(16) 0.46736(11) 0.36685(12) 0.0214(3) Uani 1 1 d . . .
H53 H 0.2653 0.4352 0.3099 0.026 Uiso 1 1 calc R . .
C63 C 0.05478(16) 0.38152(12) 0.75843(13) 0.0249(4) Uani 1 1 d . . .
H63 H 0.0012 0.3343 0.7806 0.030 Uiso 1 1 calc R . .
C64 C 0.15352(17) 0.46403(13) 0.81838(12) 0.0247(3) Uani 1 1 d . . .
H64 H 0.1662 0.4721 0.8807 0.030 Uiso 1 1 calc R . .
C52 C 0.22895(17) 0.54002(12) 0.37318(11) 0.0228(3) Uani 1 1 d . . .
H52 H 0.1902 0.5574 0.3203 0.027 Uiso 1 1 calc R . .
C6 C 0.65838(18) 0.67596(12) 0.31812(12) 0.0255(3) Uani 1 1 d . . .
H6A H 0.7234 0.6498 0.3119 0.031 Uiso 1 1 calc R . .
H6B H 0.6615 0.6827 0.3814 0.031 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
Te1 C10 2.1440(13) . ?
Te1 C40 2.1560(13) . ?
Te1 Cl1 2.6192(3) . ?
Te1 P1 2.6531(4) . ?
P1 C18 1.7871(14) . ?
P1 C30 1.8006(14) . ?
P1 C20 1.8020(14) . ?
P2 C48 1.8241(14) . ?
P2 C50 1.8242(15) . ?
P2 C60 1.8361(15) . ?
Cl3 C5 1.7583(18) . ?
Cl6 C6 1.7623(17) . ?
Cl5 C6 1.7607(18) . ?
Cl8 C7 1.7619(18) . ?
Cl7 C7 1.7618(18) . ?
C19 C14 1.4042(19) . ?
C19 C18 1.4178(19) . ?
C19 C10 1.4228(18) . ?
C14 C15 1.4055(19) . ?
C14 C13 1.4068(19) . ?
C30 C35 1.397(2) . ?
C30 C31 1.3998(19) . ?
C10 C11 1.3758(19) . ?
C11 C12 1.4223(19) . ?
C48 C47 1.3888(19) . ?
C48 C49 1.4399(18) . ?
C18 C17 1.3854(19) . ?
C49 C44 1.4151(18) . ?
C49 C40 1.4331(18) . ?
C40 C41 1.3821(19) . ?
C42 C43 1.3684(19) . ?
C42 C41 1.4132(19) . ?
C44 C43 1.4097(19) . ?
C44 C45 1.4126(19) . ?
C17 C16 1.411(2) . ?
Cl4 C5 1.7580(19) . ?
C31 C32 1.389(2) . ?
C13 C12 1.370(2) . ?
C13 C1 1.5165(19) . ?
C35 C34 1.391(2) . ?
C60 C65 1.395(2) . ?
C60 C61 1.396(2) . ?
C43 C3 1.5118(18) . ?
C45 C46 1.365(2) . ?
C45 C4 1.506(2) . ?
C15 C16 1.371(2) . ?
C15 C2 1.507(2) . ?
C20 C21 1.397(2) . ?
C20 C25 1.4022(19) . ?
C4 C3 1.548(2) . ?
C50 C51 1.393(2) . ?
C50 C55 1.399(2) . ?
C1 C2 1.557(2) . ?
C47 C46 1.410(2) . ?
C21 C22 1.388(2) . ?
C33 C32 1.387(2) . ?
C33 C34 1.388(2) . ?
C51 C52 1.393(2) . ?
C61 C62 1.392(2) . ?
C25 C24 1.384(2) . ?
C24 C23 1.387(2) . ?
C55 C54 1.386(2) . ?
C65 C64 1.393(2) . ?
C62 C63 1.381(3) . ?
C22 C23 1.388(2) . ?
C54 C53 1.383(2) . ?
C53 C52 1.385(2) . ?
C63 C64 1.389(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
C10 Te1 C40 97.12(5) . . ?
C10 Te1 Cl1 91.31(4) . . ?
C40 Te1 Cl1 87.73(4) . . ?
C10 Te1 P1 79.99(4) . . ?
C40 Te1 P1 84.59(4) . . ?
Cl1 Te1 P1 167.575(11) . . ?
C18 P1 C30 110.57(6) . . ?
C18 P1 C20 106.99(7) . . ?
C30 P1 C20 108.80(7) . . ?
C18 P1 Te1 96.61(5) . . ?
C30 P1 Te1 118.12(5) . . ?
C20 P1 Te1 114.62(5) . . ?
C48 P2 C50 101.94(6) . . ?
C48 P2 C60 103.97(6) . . ?
C50 P2 C60 102.60(7) . . ?
C14 C19 C18 115.84(12) . . ?
C14 C19 C10 116.27(12) . . ?
C18 C19 C10 127.89(12) . . ?
C19 C14 C15 123.33(13) . . ?
C19 C14 C13 124.03(13) . . ?
C15 C14 C13 112.63(12) . . ?
C35 C30 C31 120.28(13) . . ?
C35 C30 P1 119.19(11) . . ?
C31 C30 P1 120.43(11) . . ?
C11 C10 C19 119.90(12) . . ?
C11 C10 Te1 122.46(10) . . ?
C19 C10 Te1 116.73(9) . . ?
C10 C11 C12 122.23(13) . . ?
C47 C48 C49 119.29(12) . . ?
C47 C48 P2 120.31(10) . . ?
C49 C48 P2 120.40(10) . . ?
C17 C18 C19 120.69(13) . . ?
C17 C18 P1 123.51(11) . . ?
C19 C18 P1 115.72(10) . . ?
C44 C49 C40 114.37(12) . . ?
C44 C49 C48 115.25(12) . . ?
C40 C49 C48 130.37(12) . . ?
C41 C40 C49 120.42(12) . . ?
C41 C40 Te1 115.22(9) . . ?
C49 C40 Te1 124.26(9) . . ?
C43 C42 C41 117.89(12) . . ?
C40 C41 C42 123.26(12) . . ?
C43 C44 C45 111.20(12) . . ?
C43 C44 C49 124.66(12) . . ?
C45 C44 C49 124.08(12) . . ?
C18 C17 C16 122.08(13) . . ?
C32 C31 C30 119.57(14) . . ?
C12 C13 C14 118.35(13) . . ?
C12 C13 C1 133.37(13) . . ?
C14 C13 C1 108.24(12) . . ?
C34 C35 C30 119.43(14) . . ?
C65 C60 C61 119.04(14) . . ?
C65 C60 P2 118.25(11) . . ?
C61 C60 P2 122.71(12) . . ?
C42 C43 C44 119.26(12) . . ?
C42 C43 C3 131.52(13) . . ?
C44 C43 C3 109.19(12) . . ?
C46 C45 C44 119.42(13) . . ?
C46 C45 C4 130.91(13) . . ?
C44 C45 C4 109.62(12) . . ?
C16 C15 C14 119.80(13) . . ?
C16 C15 C2 131.58(14) . . ?
C14 C15 C2 108.62(13) . . ?
C13 C12 C11 119.15(13) . . ?
C21 C20 C25 119.63(13) . . ?
C21 C20 P1 118.97(11) . . ?
C25 C20 P1 121.04(11) . . ?
C45 C4 C3 104.83(11) . . ?
C51 C50 C55 118.54(14) . . ?
C51 C50 P2 123.31(11) . . ?
C55 C50 P2 118.14(11) . . ?
C13 C1 C2 104.64(12) . . ?
C48 C47 C46 123.67(13) . . ?
C45 C46 C47 118.15(13) . . ?
C22 C21 C20 119.65(14) . . ?
C32 C33 C34 120.42(14) . . ?
C43 C3 C4 105.16(11) . . ?
C15 C2 C1 104.83(12) . . ?
C15 C16 C17 118.24(13) . . ?
C33 C32 C31 120.08(14) . . ?
C50 C51 C52 120.40(14) . . ?
C33 C34 C35 120.20(14) . . ?
C62 C61 C60 120.22(15) . . ?
Cl7 C7 Cl8 111.73(9) . . ?
Cl4 C5 Cl3 111.63(10) . . ?
C24 C25 C20 120.12(14) . . ?
C25 C24 C23 120.00(14) . . ?
C54 C55 C50 120.70(15) . . ?
C64 C65 C60 120.39(15) . . ?
C63 C62 C61 120.41(15) . . ?
C23 C22 C21 120.40(15) . . ?
C53 C54 C55 120.31(14) . . ?
C24 C23 C22 120.18(14) . . ?
C54 C53 C52 119.57(15) . . ?
C62 C63 C64 119.90(15) . . ?
C63 C64 C65 120.01(16) . . ?
C53 C52 C51 120.43(15) . . ?
Cl5 C6 Cl6 112.15(9) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        30.09
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.762
_refine_diff_density_min         -0.517
_refine_diff_density_rms         0.077
