# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2051209'
loop_
_audit_author_name
_audit_author_address
'Jian-Hong Liao'
;Department of Chemistry, National Dong Hwa University
Taiwan
;
_audit_update_record             
;
2020-12-18 deposited with the CCDC.	2021-03-11 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT307_2                   
;
PROBLEM: Isolated Metal Atom found in Structure (Unusual)        Cu8 Check
RESPONSE: The structure has a complex fractionally occupied component which checkcif is not programmed to analyse.
;
_vrf_PLAT307_2_2                 
;
PROBLEM: Isolated Metal Atom found in Structure (Unusual)       Cu11 Check
RESPONSE: The structure has a complex fractionally occupied component which checkcif is not programmed to analyse.
;
_vrf_PLAT308_2                   
;
PROBLEM: Single Bonded Metal Atom in Structure  (Unusual)       Cu10 Check
RESPONSE: The structure has a complex fractionally occupied component which checkcif is not programmed to analyse.
;
# Added during the CSD deposition process: Friday 18 December 2020 10:36 AM
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H85 Cu7 O12 P6 S12'
_chemical_formula_weight         1725.35

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'
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'
S S 0.1246 0.1234 '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'

_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3 :H'
_space_group_name_Hall           '-R 3'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   42.5764(12)
_cell_length_b                   42.5764(12)
_cell_length_c                   13.1174(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     20592.8(14)
_cell_formula_units_Z            12
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9874
_cell_measurement_theta_min      2.53
_cell_measurement_theta_max      26.34

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.670
_exptl_crystal_F_000             10584
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    2.678
_shelx_estimated_absorpt_T_min   0.776
_shelx_estimated_absorpt_T_max   0.878
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6790
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            45406
_diffrn_reflns_av_unetI/netI     0.0262
_diffrn_reflns_av_R_equivalents  0.0388
_diffrn_reflns_limit_h_min       -50
_diffrn_reflns_limit_h_max       50
_diffrn_reflns_limit_k_min       -50
_diffrn_reflns_limit_k_max       50
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         0.956
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        24.999
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             8061
_reflns_number_gt                6861
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0388P)²+184.2650P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8061
_refine_ls_number_parameters     536
_refine_ls_number_restraints     187
_refine_ls_R_factor_all          0.0474
_refine_ls_R_factor_gt           0.0379
_refine_ls_wR_factor_ref         0.0971
_refine_ls_wR_factor_gt          0.0905
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_restrained_S_all      1.034
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 1.03468(2) 0.55358(3) 0.36756(7) 0.01743(18) Uani 0.5 1 d . . P . .
Cu2 Cu 1.02800(2) 0.53701(3) 0.42004(8) 0.01986(19) Uani 0.5 1 d . . P . .
Cu3 Cu 1.04077(2) 0.53173(2) 0.54872(6) 0.01917(19) Uani 0.5 1 d . . P . .
Cu4 Cu 0.99656(2) 0.52021(2) 0.61591(8) 0.01993(19) Uani 0.5 1 d . . P . .
Cu5 Cu 0.98932(2) 0.52742(2) 0.66797(8) 0.01574(18) Uani 0.5 1 d . . P . .
Cu6 Cu 0.97042(3) 0.51967(3) 0.46592(7) 0.0210(2) Uani 0.5 1 d . . P . .
Cu7 Cu 0.96143(3) 0.53156(3) 0.45997(7) 0.0156(2) Uani 0.5 1 d . . P . .
Cu8 Cu 0.73375(5) 0.36163(4) 0.40533(15) 0.0448(4) Uani 0.3733 1 d . . P . .
Cu9 Cu 0.71171(3) 0.35233(3) 0.36663(13) 0.0504(4) Uani 0.4767 1 d . . P A .
Cu10 Cu 0.666667 0.333333 0.4871(2) 0.0391(9) Uani 0.57 3 d S T P A .
Cu11 Cu 0.666667 0.333333 0.5289(3) 0.0279(10) Uani 0.38 3 d S T P A .
S1 S 1.06612(2) 0.59396(2) 0.49399(7) 0.01885(18) Uani 1 1 d . . . . .
S2 S 0.98233(2) 0.56914(2) 0.59004(7) 0.01928(18) Uani 1 1 d . . . . .
S3 S 0.98652(2) 0.55089(2) 0.30688(6) 0.02156(19) Uani 1 1 d . . . . .
S4 S 0.95608(2) 0.46029(2) 0.26749(6) 0.01824(18) Uani 1 1 d . . . . .
S5 S 0.90850(2) 0.47869(2) 0.47541(6) 0.01771(18) Uani 1 1 d . . . . .
S6 S 0.94087(2) 0.47627(2) 0.71289(6) 0.01762(18) Uani 1 1 d . . . . .
P4 P 0.71580(3) 0.42502(3) 0.51711(11) 0.0319(3) Uani 0.9 1 d . . P A 1
S7 S 0.72322(3) 0.38246(3) 0.54239(13) 0.0411(3) Uani 0.9 1 d . . P A 1
S8 S 0.68976(3) 0.42411(3) 0.38971(12) 0.0356(3) Uani 0.9 1 d . . P A 1
P4B P 0.7542(3) 0.3584(3) 0.1220(10) 0.0319(3) Uani 0.1 1 d . . P A 2
S8B S 0.7575(3) 0.3933(3) 0.2274(11) 0.0356(3) Uani 0.1 1 d . . P A 2
S7B S 0.7044(3) 0.3172(3) 0.0899(13) 0.0411(3) Uani 0.1 1 d . . P A 2
P1 P 1.03038(2) 0.60878(2) 0.53736(7) 0.01644(18) Uani 1 1 d . . . . .
P2 P 0.96333(2) 0.50724(2) 0.21446(7) 0.01800(19) Uani 1 1 d . . . . .
P3 P 0.90179(2) 0.47672(2) 0.62612(7) 0.01690(18) Uani 1 1 d . . . . .
O1 O 1.02003(7) 0.62719(6) 0.44892(18) 0.0222(5) Uani 1 1 d . . . . .
O2 O 1.04822(6) 0.64061(6) 0.61765(18) 0.0200(5) Uani 1 1 d . . . . .
O3 O 0.98619(8) 0.51563(7) 0.11414(19) 0.0317(6) Uani 1 1 d . . . . .
O4 O 0.92631(8) 0.50371(8) 0.1793(3) 0.0600(11) Uani 1 1 d D . . . .
O5 O 0.89610(7) 0.50932(7) 0.65694(18) 0.0223(5) Uani 1 1 d . . . . .
O6 O 0.86389(6) 0.44270(6) 0.65529(18) 0.0219(5) Uani 1 1 d . . . . .
O7 O 0.75356(8) 0.46131(8) 0.5265(3) 0.0405(7) Uani 1 1 d . . . . .
C1 C 1.04497(13) 0.65019(14) 0.3694(4) 0.0567(14) Uani 1 1 d D . . . .
H1 H 1.053470 0.634532 0.336765 0.068 Uiso 1 1 calc R U . . .
C2 C 1.0785(2) 0.68151(17) 0.4085(6) 0.113(3) Uani 1 1 d D . . . .
H2A H 1.072593 0.698721 0.440647 0.169 Uiso 1 1 calc R U . . .
H2B H 1.095345 0.693458 0.351890 0.169 Uiso 1 1 calc R U . . .
H2C H 1.089706 0.673190 0.458779 0.169 Uiso 1 1 calc R U . . .
C3 C 1.0233(2) 0.6542(3) 0.2916(6) 0.119(3) Uani 1 1 d . . . . .
H3A H 1.000952 0.630960 0.281245 0.178 Uiso 1 1 calc R U . . .
H3B H 1.037002 0.661885 0.227743 0.178 Uiso 1 1 calc R U . . .
H3C H 1.017092 0.672512 0.313119 0.178 Uiso 1 1 calc R U . . .
C4 C 1.06058(11) 0.63595(10) 0.7183(3) 0.0273(8) Uani 1 1 d . . . . .
H4 H 1.059394 0.611917 0.721452 0.033 Uiso 1 1 calc R U . . .
C5 C 1.03550(12) 0.63735(12) 0.7973(3) 0.0397(10) Uani 1 1 d . . . . .
H5A H 1.036994 0.661064 0.794687 0.060 Uiso 1 1 calc R U . . .
H5B H 1.042689 0.633640 0.865211 0.060 Uiso 1 1 calc R U . . .
H5C H 1.010533 0.618247 0.783300 0.060 Uiso 1 1 calc R U . . .
C6 C 1.09917(12) 0.66584(14) 0.7303(4) 0.0481(12) Uani 1 1 d . . . . .
H6A H 1.114248 0.663343 0.678133 0.072 Uiso 1 1 calc R U . . .
H6B H 1.108003 0.664343 0.798120 0.072 Uiso 1 1 calc R U . . .
H6C H 1.100454 0.689349 0.722573 0.072 Uiso 1 1 calc R U . . .
C7 C 0.99823(13) 0.54921(11) 0.0557(3) 0.0342(9) Uani 1 1 d . . . . .
H7 H 0.992471 0.565922 0.094534 0.041 Uiso 1 1 calc R U . . .
C8 C 1.03857(14) 0.56622(12) 0.0442(4) 0.0503(12) Uani 1 1 d . . . . .
H8A H 1.049946 0.571726 0.111690 0.075 Uiso 1 1 calc R U . . .
H8B H 1.047933 0.588679 0.004667 0.075 Uiso 1 1 calc R U . . .
H8C H 1.044173 0.549373 0.008595 0.075 Uiso 1 1 calc R U . . .
C9 C 0.97843(12) 0.53950(12) -0.0442(3) 0.0338(9) Uani 1 1 d . . . . .
H9A H 0.984657 0.523671 -0.082819 0.051 Uiso 1 1 calc R U . . .
H9B H 0.985471 0.561658 -0.083315 0.051 Uiso 1 1 calc R U . . .
H9C H 0.952234 0.526847 -0.031654 0.051 Uiso 1 1 calc R U . . .
C10 C 0.88998(15) 0.47035(16) 0.1850(5) 0.0299(11) Uani 0.7 1 d D . P B 1
H10 H 0.889409 0.455015 0.243543 0.036 Uiso 0.7 1 calc R U P B 1
C11 C 0.86159(18) 0.4808(2) 0.1996(7) 0.0574(18) Uani 0.7 1 d D . P B 1
H11A H 0.864774 0.498936 0.148538 0.086 Uiso 0.7 1 calc R U P B 1
H11B H 0.863865 0.490964 0.268047 0.086 Uiso 0.7 1 calc R U P B 1
H11C H 0.837513 0.459293 0.191933 0.086 Uiso 0.7 1 calc R U P B 1
C12 C 0.88636(18) 0.45081(18) 0.0866(5) 0.0451(14) Uani 0.7 1 d D . P B 1
H12A H 0.862085 0.429402 0.082255 0.068 Uiso 0.7 1 calc R U P B 1
H12B H 0.904625 0.443237 0.083999 0.068 Uiso 0.7 1 calc R U P B 1
H12C H 0.890018 0.467047 0.029224 0.068 Uiso 0.7 1 calc R U P B 1
C10B C 0.8953(3) 0.4980(3) 0.2084(10) 0.0299(11) Uani 0.3 1 d D . P B 2
H10B H 0.898132 0.506319 0.280851 0.036 Uiso 0.3 1 calc R U P B 2
C11B C 0.8828(4) 0.5195(5) 0.1512(15) 0.0574(18) Uani 0.3 1 d D . P B 2
H11D H 0.901202 0.545273 0.155170 0.086 Uiso 0.3 1 calc R U P B 2
H11E H 0.860014 0.515761 0.180510 0.086 Uiso 0.3 1 calc R U P B 2
H11F H 0.878901 0.511794 0.079658 0.086 Uiso 0.3 1 calc R U P B 2
C12B C 0.8707(5) 0.4582(4) 0.2097(13) 0.0451(14) Uani 0.3 1 d D . P B 2
H12D H 0.863458 0.449370 0.139765 0.068 Uiso 0.3 1 calc R U P B 2
H12E H 0.849109 0.452252 0.250182 0.068 Uiso 0.3 1 calc R U P B 2
H12F H 0.883353 0.446499 0.239893 0.068 Uiso 0.3 1 calc R U P B 2
C13 C 0.90408(11) 0.52773(10) 0.7560(3) 0.0277(8) Uani 1 1 d . . . . .
H13 H 0.929084 0.534213 0.778193 0.033 Uiso 1 1 calc R U . . .
C14 C 0.87703(14) 0.50306(14) 0.8334(3) 0.0472(12) Uani 1 1 d . . . . .
H14A H 0.852476 0.495854 0.810012 0.071 Uiso 1 1 calc R U . . .
H14B H 0.881631 0.515776 0.898708 0.071 Uiso 1 1 calc R U . . .
H14C H 0.879316 0.481416 0.841892 0.071 Uiso 1 1 calc R U . . .
C15 C 0.90251(13) 0.56185(12) 0.7372(4) 0.0428(11) Uani 1 1 d . . . . .
H15A H 0.920193 0.576378 0.684601 0.064 Uiso 1 1 calc R U . . .
H15B H 0.908205 0.575905 0.800478 0.064 Uiso 1 1 calc R U . . .
H15C H 0.878103 0.555432 0.714367 0.064 Uiso 1 1 calc R U . . .
C16 C 0.85372(10) 0.40607(10) 0.6194(3) 0.0293(8) Uani 1 1 d . . . . .
H16 H 0.871578 0.407833 0.566935 0.035 Uiso 1 1 calc R U . . .
C17 C 0.85455(14) 0.38443(13) 0.7083(4) 0.0569(14) Uani 1 1 d . . . . .
H17A H 0.878917 0.396473 0.738107 0.085 Uiso 1 1 calc R U . . .
H17B H 0.848272 0.360082 0.685313 0.085 Uiso 1 1 calc R U . . .
H17C H 0.836989 0.382588 0.759682 0.085 Uiso 1 1 calc R U . . .
C18 C 0.81711(12) 0.39084(12) 0.5713(4) 0.0430(11) Uani 1 1 d . . . . .
H18A H 0.799925 0.390661 0.621313 0.065 Uiso 1 1 calc R U . . .
H18B H 0.808820 0.366017 0.548216 0.065 Uiso 1 1 calc R U . . .
H18C H 0.818609 0.405873 0.512857 0.065 Uiso 1 1 calc R U . . .
C19 C 0.78644(11) 0.46859(13) 0.4726(4) 0.0440(11) Uani 1 1 d . . . . .
H19 H 0.783549 0.445196 0.446682 0.053 Uiso 1 1 calc R U . . .
C20 C 0.81679(13) 0.48453(14) 0.5491(4) 0.0561(14) Uani 1 1 d . . . . .
H20A H 0.818921 0.506807 0.577437 0.084 Uiso 1 1 calc R U . . .
H20B H 0.839575 0.490136 0.515513 0.084 Uiso 1 1 calc R U . . .
H20C H 0.811650 0.467035 0.604072 0.084 Uiso 1 1 calc R U . . .
C21 C 0.79241(14) 0.49309(14) 0.3846(4) 0.0547(13) Uani 1 1 d . . . . .
H21A H 0.770489 0.482789 0.342384 0.082 Uiso 1 1 calc R U . . .
H21B H 0.812816 0.495648 0.343667 0.082 Uiso 1 1 calc R U . . .
H21C H 0.797843 0.516958 0.409824 0.082 Uiso 1 1 calc R U . . .
O8 O 0.69380(9) 0.42993(9) 0.6052(3) 0.0420(8) Uani 0.9 1 d D . P A 1
C22 C 0.70391(16) 0.43039(17) 0.7108(5) 0.0509(13) Uani 0.9 1 d D . P A 1
H22 H 0.725685 0.427350 0.715604 0.061 Uiso 0.9 1 calc R U P A 1
C23 C 0.67229(17) 0.3996(2) 0.7613(5) 0.0745(19) Uani 0.9 1 d D . P A 1
H23A H 0.650539 0.401378 0.749324 0.112 Uiso 0.9 1 calc R U P A 1
H23B H 0.676812 0.400299 0.834772 0.112 Uiso 0.9 1 calc R U P A 1
H23C H 0.668673 0.376661 0.733152 0.112 Uiso 0.9 1 calc R U P A 1
C24 C 0.7125(2) 0.4667(2) 0.7519(6) 0.079(2) Uani 0.9 1 d D . P A 1
H24A H 0.734843 0.485620 0.720287 0.119 Uiso 0.9 1 calc R U P A 1
H24B H 0.715774 0.467060 0.825894 0.119 Uiso 0.9 1 calc R U P A 1
H24C H 0.692491 0.471026 0.736257 0.119 Uiso 0.9 1 calc R U P A 1
O8B O 0.7725(8) 0.3767(8) 0.020(2) 0.0420(8) Uani 0.1 1 d D . P A 2
C22B C 0.7850(13) 0.4060(14) -0.049(4) 0.0509(13) Uani 0.1 1 d D . P A 2
H22B H 0.787742 0.423731 0.004953 0.061 Uiso 0.1 1 calc R U P A 2
C23B C 0.7661(15) 0.4185(17) -0.120(4) 0.0745(19) Uani 0.1 1 d D . P A 2
H23D H 0.783217 0.442999 -0.144118 0.112 Uiso 0.1 1 calc R U P A 2
H23E H 0.746092 0.418868 -0.083561 0.112 Uiso 0.1 1 calc R U P A 2
H23F H 0.756392 0.401938 -0.177953 0.112 Uiso 0.1 1 calc R U P A 2
C24B C 0.8249(13) 0.4228(19) -0.064(6) 0.079(2) Uani 0.1 1 d D . P A 2
H24D H 0.833212 0.407367 -0.032789 0.119 Uiso 0.1 1 calc R U P A 2
H24E H 0.837240 0.446806 -0.032015 0.119 Uiso 0.1 1 calc R U P A 2
H24F H 0.830401 0.425269 -0.137166 0.119 Uiso 0.1 1 calc R U P A 2
H1M H 1.000000 0.500000 0.500000 0.045(18) Uiso 1 2 d S . P . .
H2M H 0.666667 0.333333 0.333333 0.02(2) Uiso 1 6 d S . P . .


_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
Cu1 Cu2 0.9231(11) . ?
Cu1 S3 2.1483(13) . ?
Cu1 S6 2.2666(11) 10_766 ?
Cu1 S1 2.2796(12) . ?
Cu1 Cu3 2.6116(13) . ?
Cu1 Cu6 2.6990(13) . ?
Cu1 Cu4 2.7398(13) 10_766 ?
Cu1 Cu7 3.0251(13) . ?
Cu2 Cu3 1.8213(13) . ?
Cu2 Cu4 2.1683(13) 10_766 ?
Cu2 Cu6 2.2599(14) . ?
Cu2 S1 2.3494(12) . ?
Cu2 S6 2.4223(12) 10_766 ?
Cu2 S3 2.5912(13) . ?
Cu2 Cu5 2.7162(13) 10_766 ?
Cu2 Cu7 2.7757(13) . ?
Cu2 Cu4 2.8189(15) . ?
Cu2 Cu6 2.8685(16) 10_766 ?
Cu2 Cu3 2.9557(13) 10_766 ?
Cu2 H1M 1.7678(11) . ?
Cu3 Cu4 1.9067(13) . ?
Cu3 Cu6 2.0029(15) 10_766 ?
Cu3 S1 2.4165(11) . ?
Cu3 S4 2.4290(12) 10_766 ?
Cu3 S5 2.4338(12) 10_766 ?
Cu3 Cu5 2.6221(13) . ?
Cu3 Cu7 2.6520(13) 10_766 ?
Cu3 Cu4 2.9266(13) 10_766 ?
Cu3 Cu6 2.9793(14) . ?
Cu3 H1M 1.7034(8) . ?
Cu4 Cu5 0.8663(11) . ?
Cu4 Cu6 2.2551(14) . ?
Cu4 S4 2.3282(12) 10_766 ?
Cu4 S2 2.4668(12) . ?
Cu4 S6 2.5110(13) . ?
Cu4 Cu7 2.7165(14) . ?
Cu4 Cu6 2.8979(17) 10_766 ?
Cu4 H1M 1.7886(12) . ?
Cu5 S2 2.1947(12) . ?
Cu5 S6 2.2030(12) . ?
Cu5 S4 2.2756(12) 10_766 ?
Cu5 Cu6 2.7415(13) . ?
Cu5 Cu7 3.0158(13) . ?
Cu6 Cu7 0.7765(10) . ?
Cu6 S5 2.3260(12) . ?
Cu6 S3 2.3828(13) . ?
Cu6 S2 2.5052(13) . ?
Cu6 H1M 1.8821(13) . ?
Cu7 S2 2.1996(12) . ?
Cu7 S3 2.2299(12) . ?
Cu7 S5 2.2615(12) . ?
Cu8 Cu9 0.9608(19) . ?
Cu8 S7 2.149(2) . ?
Cu8 S8 2.2104(18) 3_665 ?
Cu8 S8 2.230(2) 17 ?
Cu8 S7B 2.401(16) 18_545 ?
Cu8 S8B 2.422(12) 17 ?
Cu8 Cu9 2.591(3) 18_545 ?
Cu8 Cu9 2.591(2) 17 ?
Cu8 S8B 2.632(14) . ?
Cu8 Cu10 2.7051(19) . ?
Cu8 Cu11 2.965(3) . ?
Cu9 Cu9 1.8822(19) 18_545 ?
Cu9 Cu9 1.8828(19) 17 ?
Cu9 Cu10 2.297(3) . ?
Cu9 S8 2.3315(18) 17 ?
Cu9 S8 2.4413(16) 3_665 ?
Cu9 S7 2.564(2) . ?
Cu9 S8B 2.604(14) . ?
Cu9 S8B 2.677(13) 17 ?
Cu9 Cu11 2.704(4) . ?
Cu9 H2M 1.7239(13) . ?
Cu10 Cu11 0.548(5) . ?
Cu10 S7B 2.352(15) 16_655 ?
Cu10 S7B 2.353(15) 18_545 ?
Cu10 S7B 2.353(15) 17 ?
Cu10 S7 2.3797(16) 3_665 ?
Cu10 S7 2.3797(16) 2_655 ?
Cu10 S7 2.3798(16) . ?
Cu10 H2M 2.017(3) . ?
Cu11 S7B 2.132(13) 16_655 ?
Cu11 S7B 2.132(14) 18_545 ?
Cu11 S7B 2.132(13) 17 ?
Cu11 S7 2.2733(13) 3_665 ?
Cu11 S7 2.2733(13) 2_655 ?
Cu11 S7 2.2734(13) . ?
S1 P1 1.9992(12) . ?
S2 P1 2.0146(12) . ?
S3 P2 2.0155(12) . ?
S4 P2 1.9897(12) . ?
S5 P3 1.9932(12) . ?
S6 P3 2.0237(12) . ?
P4 O8 1.566(4) . ?
P4 O7 1.582(3) . ?
P4 S8 1.995(2) . ?
P4 S7 2.0164(17) . ?
P4B O7 1.520(11) 17 ?
P4B O8B 1.54(3) . ?
P4B S8B 1.98(2) . ?
P4B S7B 2.009(18) . ?
P1 O2 1.579(2) . ?
P1 O1 1.581(2) . ?
P2 O3 1.568(3) . ?
P2 O4 1.576(3) . ?
P3 O5 1.577(2) . ?
P3 O6 1.584(2) . ?
O1 C1 1.461(5) . ?
O2 C4 1.471(4) . ?
O3 C7 1.470(4) . ?
O4 C10B 1.278(11) . ?
O4 C10 1.489(6) . ?
O5 C13 1.467(4) . ?
O6 C16 1.472(4) . ?
O7 C19 1.457(5) . ?
C1 C3 1.443(8) . ?
C1 C2 1.474(7) . ?
C1 H1 1.0000 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C6 1.501(6) . ?
C4 C5 1.511(6) . ?
C4 H4 1.0000 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C9 1.500(5) . ?
C7 C8 1.501(7) . ?
C7 H7 1.0000 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.494(8) . ?
C10 C12 1.502(8) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C10B C11B 1.471(15) . ?
C10B C12B 1.484(15) . ?
C10B H10B 1.0000 . ?
C11B H11D 0.9800 . ?
C11B H11E 0.9800 . ?
C11B H11F 0.9800 . ?
C12B H12D 0.9800 . ?
C12B H12E 0.9800 . ?
C12B H12F 0.9800 . ?
C13 C14 1.500(6) . ?
C13 C15 1.508(6) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C18 1.496(6) . ?
C16 C17 1.498(6) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C21 1.491(7) . ?
C19 C20 1.503(7) . ?
C19 H19 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
O8 C22 1.449(7) . ?
C22 C23 1.486(8) . ?
C22 C24 1.498(9) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
O8B C22B 1.42(2) . ?
C22B C23B 1.49(2) . ?
C22B C24B 1.49(2) . ?
C22B H22B 1.0000 . ?
C23B H23D 0.9800 . ?
C23B H23E 0.9800 . ?
C23B H23F 0.9800 . ?
C24B H24D 0.9800 . ?
C24B H24E 0.9800 . ?
C24B H24F 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
Cu2 Cu1 S3 108.33(9) . . ?
Cu2 Cu1 S6 88.33(8) . 10_766 ?
S3 Cu1 S6 119.43(5) . 10_766 ?
Cu2 Cu1 S1 82.78(8) . . ?
S3 Cu1 S1 119.65(5) . . ?
S6 Cu1 S1 120.03(5) 10_766 . ?
Cu2 Cu1 Cu3 25.40(7) . . ?
S3 Cu1 Cu3 125.46(5) . . ?
S6 Cu1 Cu3 93.94(4) 10_766 . ?
S1 Cu1 Cu3 58.75(4) . . ?
Cu2 Cu1 Cu6 52.56(7) . . ?
S3 Cu1 Cu6 57.55(4) . . ?
S6 Cu1 Cu6 123.34(5) 10_766 . ?
S1 Cu1 Cu6 96.41(4) . . ?
Cu3 Cu1 Cu6 68.23(4) . . ?
Cu2 Cu1 Cu4 43.70(7) . 10_766 ?
S3 Cu1 Cu4 93.72(4) . 10_766 ?
S6 Cu1 Cu4 59.31(4) 10_766 10_766 ?
S1 Cu1 Cu4 124.92(5) . 10_766 ?
Cu3 Cu1 Cu4 66.25(4) . 10_766 ?
Cu6 Cu1 Cu4 64.38(4) . 10_766 ?
Cu2 Cu1 Cu7 65.69(8) . . ?
S3 Cu1 Cu7 47.42(3) . . ?
S6 Cu1 Cu7 134.77(5) 10_766 . ?
S1 Cu1 Cu7 93.89(4) . . ?
Cu3 Cu1 Cu7 78.20(4) . . ?
Cu6 Cu1 Cu7 14.17(2) . . ?
Cu4 Cu1 Cu7 77.21(4) 10_766 . ?
Cu1 Cu2 Cu3 142.04(10) . . ?
Cu1 Cu2 Cu4 119.20(9) . 10_766 ?
Cu3 Cu2 Cu4 93.96(6) . 10_766 ?
Cu1 Cu2 Cu6 108.52(9) . . ?
Cu3 Cu2 Cu6 93.15(5) . . ?
Cu4 Cu2 Cu6 81.71(5) 10_766 . ?
Cu1 Cu2 S1 74.28(8) . . ?
Cu3 Cu2 S1 69.50(4) . . ?
Cu4 Cu2 S1 161.00(6) 10_766 . ?
Cu6 Cu2 S1 107.70(5) . . ?
Cu1 Cu2 S6 69.28(8) . 10_766 ?
Cu3 Cu2 S6 113.98(5) . 10_766 ?
Cu4 Cu2 S6 66.05(4) 10_766 10_766 ?
Cu6 Cu2 S6 138.28(5) . 10_766 ?
S1 Cu2 S6 111.21(5) . 10_766 ?
Cu1 Cu2 S3 51.91(7) . . ?
Cu3 Cu2 S3 146.98(5) . . ?
Cu4 Cu2 S3 97.51(4) 10_766 . ?
Cu6 Cu2 S3 58.36(4) . . ?
S1 Cu2 S3 101.48(4) . . ?
S6 Cu2 S3 98.96(4) 10_766 . ?
Cu1 Cu2 Cu5 106.22(8) . 10_766 ?
Cu3 Cu2 Cu5 102.50(5) . 10_766 ?
Cu4 Cu2 Cu5 15.89(3) 10_766 10_766 ?
Cu6 Cu2 Cu5 94.64(4) . 10_766 ?
S1 Cu2 Cu5 156.41(5) . 10_766 ?
S6 Cu2 Cu5 50.38(3) 10_766 10_766 ?
S3 Cu2 Cu5 96.60(4) . 10_766 ?
Cu1 Cu2 Cu7 96.66(8) . . ?
Cu3 Cu2 Cu7 99.79(5) . . ?
Cu4 Cu2 Cu7 92.78(4) 10_766 . ?
Cu6 Cu2 Cu7 13.31(3) . . ?
S1 Cu2 Cu7 99.08(4) . . ?
S6 Cu2 Cu7 140.49(5) 10_766 . ?
S3 Cu2 Cu7 48.95(3) . . ?
Cu5 Cu2 Cu7 104.21(4) 10_766 . ?
Cu1 Cu2 Cu4 143.08(9) . . ?
Cu3 Cu2 Cu4 42.02(4) . . ?
Cu4 Cu2 Cu4 90.69(5) 10_766 . ?
Cu6 Cu2 Cu4 51.29(4) . . ?
S1 Cu2 Cu4 83.16(4) . . ?
S6 Cu2 Cu4 147.42(5) 10_766 . ?
S3 Cu2 Cu4 106.79(4) . . ?
Cu5 Cu2 Cu4 106.05(5) 10_766 . ?
Cu7 Cu2 Cu4 58.09(3) . . ?
Cu1 Cu2 Cu6 154.71(9) . 10_766 ?
Cu3 Cu2 Cu6 43.86(4) . 10_766 ?
Cu4 Cu2 Cu6 50.91(4) 10_766 10_766 ?
Cu6 Cu2 Cu6 93.69(5) . 10_766 ?
S1 Cu2 Cu6 110.99(5) . 10_766 ?
S6 Cu2 Cu6 86.17(4) 10_766 10_766 ?
S3 Cu2 Cu6 142.75(4) . 10_766 ?
Cu5 Cu2 Cu6 58.72(3) 10_766 10_766 ?
Cu7 Cu2 Cu6 106.50(5) . 10_766 ?
Cu4 Cu2 Cu6 61.26(4) . 10_766 ?
Cu1 Cu2 Cu3 129.38(9) . 10_766 ?
Cu3 Cu2 Cu3 87.62(5) . 10_766 ?
Cu4 Cu2 Cu3 40.11(4) 10_766 10_766 ?
Cu6 Cu2 Cu3 42.61(4) . 10_766 ?
S1 Cu2 Cu3 142.74(5) . 10_766 ?
S6 Cu2 Cu3 104.80(4) 10_766 10_766 ?
S3 Cu2 Cu3 81.65(3) . 10_766 ?
Cu5 Cu2 Cu3 54.87(3) 10_766 10_766 ?
Cu7 Cu2 Cu3 55.02(3) . 10_766 ?
Cu4 Cu2 Cu3 60.85(3) . 10_766 ?
Cu6 Cu2 Cu3 61.51(3) 10_766 10_766 ?
Cu1 Cu2 H1M 159.48(10) . . ?
Cu3 Cu2 H1M 56.64(4) . . ?
Cu4 Cu2 H1M 52.86(4) 10_766 . ?
Cu6 Cu2 H1M 54.06(4) . . ?
S1 Cu2 H1M 119.01(5) . . ?
S6 Cu2 H1M 115.02(5) 10_766 . ?
S3 Cu2 H1M 108.09(4) . . ?
Cu5 Cu2 H1M 68.31(3) 10_766 . ?
Cu7 Cu2 H1M 66.94(3) . . ?
Cu4 Cu2 H1M 37.83(3) . . ?
Cu6 Cu2 H1M 39.63(3) 10_766 . ?
Cu3 Cu2 H1M 30.97(2) 10_766 . ?
Cu2 Cu3 Cu4 98.23(6) . . ?
Cu2 Cu3 Cu6 97.08(5) . 10_766 ?
Cu4 Cu3 Cu6 95.64(5) . 10_766 ?
Cu2 Cu3 S1 65.59(4) . . ?
Cu4 Cu3 S1 105.18(5) . . ?
Cu6 Cu3 S1 154.33(5) 10_766 . ?
Cu2 Cu3 S4 154.38(5) . 10_766 ?
Cu4 Cu3 S4 63.62(4) . 10_766 ?
Cu6 Cu3 S4 102.37(5) 10_766 10_766 ?
S1 Cu3 S4 100.28(4) . 10_766 ?
Cu2 Cu3 S5 104.41(5) . 10_766 ?
Cu4 Cu3 S5 149.89(5) . 10_766 ?
Cu6 Cu3 S5 62.35(4) 10_766 10_766 ?
S1 Cu3 S5 102.16(4) . 10_766 ?
S4 Cu3 S5 99.35(4) 10_766 10_766 ?
Cu2 Cu3 Cu1 12.56(3) . . ?
Cu4 Cu3 Cu1 104.55(5) . . ?
Cu6 Cu3 Cu1 106.87(5) 10_766 . ?
S1 Cu3 Cu1 53.75(3) . . ?
S4 Cu3 Cu1 149.51(4) 10_766 . ?
S5 Cu3 Cu1 101.65(4) 10_766 . ?
Cu2 Cu3 Cu5 105.73(5) . . ?
Cu4 Cu3 Cu5 12.55(3) . . ?
Cu6 Cu3 Cu5 104.29(5) 10_766 . ?
S1 Cu3 Cu5 98.83(4) . . ?
S4 Cu3 Cu5 53.39(3) 10_766 . ?
S5 Cu3 Cu5 148.36(4) 10_766 . ?
Cu1 Cu3 Cu5 109.85(4) . . ?
Cu2 Cu3 Cu7 102.97(5) . 10_766 ?
Cu4 Cu3 Cu7 103.27(5) . 10_766 ?
Cu6 Cu3 Cu7 10.60(3) 10_766 10_766 ?
S1 Cu3 Cu7 150.55(5) . 10_766 ?
S4 Cu3 Cu7 98.98(4) 10_766 10_766 ?
S5 Cu3 Cu7 52.59(3) 10_766 10_766 ?
Cu1 Cu3 Cu7 111.31(4) . 10_766 ?
Cu5 Cu3 Cu7 110.54(4) . 10_766 ?
Cu2 Cu3 Cu4 47.66(4) . 10_766 ?
Cu4 Cu3 Cu4 93.05(5) . 10_766 ?
Cu6 Cu3 Cu4 50.29(4) 10_766 10_766 ?
S1 Cu3 Cu4 112.66(4) . 10_766 ?
S4 Cu3 Cu4 144.02(4) 10_766 10_766 ?
S5 Cu3 Cu4 87.85(4) 10_766 10_766 ?
Cu1 Cu3 Cu4 58.97(3) . 10_766 ?
Cu5 Cu3 Cu4 105.56(4) . 10_766 ?
Cu7 Cu3 Cu4 58.03(3) 10_766 10_766 ?
Cu2 Cu3 Cu2 92.38(5) . 10_766 ?
Cu4 Cu3 Cu2 47.12(4) . 10_766 ?
Cu6 Cu3 Cu2 49.81(4) 10_766 10_766 ?
S1 Cu3 Cu2 143.62(4) . 10_766 ?
S4 Cu3 Cu2 87.65(4) 10_766 10_766 ?
S5 Cu3 Cu2 111.56(4) 10_766 10_766 ?
Cu1 Cu3 Cu2 104.67(4) . 10_766 ?
Cu5 Cu3 Cu2 57.92(3) . 10_766 ?
Cu7 Cu3 Cu2 59.04(3) 10_766 10_766 ?
Cu4 Cu3 Cu2 57.27(3) 10_766 10_766 ?
Cu2 Cu3 Cu6 49.24(4) . . ?
Cu4 Cu3 Cu6 49.18(4) . . ?
Cu6 Cu3 Cu6 96.17(5) 10_766 . ?
S1 Cu3 Cu6 86.57(4) . . ?
S4 Cu3 Cu6 111.50(4) 10_766 . ?
S5 Cu3 Cu6 145.96(4) 10_766 . ?
Cu1 Cu3 Cu6 57.28(3) . . ?
Cu5 Cu3 Cu6 58.19(3) . . ?
Cu7 Cu3 Cu6 106.71(5) 10_766 . ?
Cu4 Cu3 Cu6 58.76(3) 10_766 . ?
Cu2 Cu3 Cu6 57.80(3) 10_766 . ?
Cu2 Cu3 H1M 60.10(4) . . ?
Cu4 Cu3 H1M 59.08(4) . . ?
Cu6 Cu3 H1M 60.40(4) 10_766 . ?
S1 Cu3 H1M 118.53(5) . . ?
S4 Cu3 H1M 116.52(4) 10_766 . ?
S5 Cu3 H1M 116.86(4) 10_766 . ?
Cu1 Cu3 H1M 72.42(3) . . ?
Cu5 Cu3 H1M 71.59(3) . . ?
Cu7 Cu3 H1M 70.95(3) 10_766 . ?
Cu4 Cu3 H1M 33.98(3) 10_766 . ?
Cu2 Cu3 H1M 32.29(3) 10_766 . ?
Cu6 Cu3 H1M 35.77(3) . . ?
Cu5 Cu4 Cu3 138.90(10) . . ?
Cu5 Cu4 Cu2 120.84(10) . 10_766 ?
Cu3 Cu4 Cu2 92.76(6) . 10_766 ?
Cu5 Cu4 Cu6 115.46(10) . . ?
Cu3 Cu4 Cu6 91.03(6) . . ?
Cu2 Cu4 Cu6 80.82(5) 10_766 . ?
Cu5 Cu4 S4 75.76(9) . 10_766 ?
Cu3 Cu4 S4 69.18(4) . 10_766 ?
Cu2 Cu4 S4 112.88(5) 10_766 10_766 ?
Cu6 Cu4 S4 155.77(6) . 10_766 ?
Cu5 Cu4 S2 61.81(8) . . ?
Cu3 Cu4 S2 110.28(5) . . ?
Cu2 Cu4 S2 137.28(5) 10_766 . ?
Cu6 Cu4 S2 63.90(4) . . ?
S4 Cu4 S2 108.89(5) 10_766 . ?
Cu5 Cu4 S6 59.59(8) . . ?
Cu3 Cu4 S6 150.33(6) . . ?
Cu2 Cu4 S6 61.84(4) 10_766 . ?
Cu6 Cu4 S6 99.03(4) . . ?
S4 Cu4 S6 105.06(5) 10_766 . ?
S2 Cu4 S6 99.18(5) . . ?
Cu5 Cu4 Cu7 101.83(9) . . ?
Cu3 Cu4 Cu7 99.59(5) . . ?
Cu2 Cu4 Cu7 92.12(5) 10_766 . ?
Cu6 Cu4 Cu7 14.50(3) . . ?
S4 Cu4 Cu7 152.50(5) 10_766 . ?
S2 Cu4 Cu7 49.94(3) . . ?
S6 Cu4 Cu7 96.60(4) . . ?
Cu5 Cu4 Cu1 106.83(9) . 10_766 ?
Cu3 Cu4 Cu1 100.52(5) . 10_766 ?
Cu2 Cu4 Cu1 17.11(3) 10_766 10_766 ?
Cu6 Cu4 Cu1 95.92(5) . 10_766 ?
S4 Cu4 Cu1 101.21(4) 10_766 10_766 ?
S2 Cu4 Cu1 142.73(5) . 10_766 ?
S6 Cu4 Cu1 50.92(3) . 10_766 ?
Cu7 Cu4 Cu1 105.60(4) . 10_766 ?
Cu5 Cu4 Cu2 146.76(9) . . ?
Cu3 Cu4 Cu2 39.75(4) . . ?
Cu2 Cu4 Cu2 89.31(5) 10_766 . ?
Cu6 Cu4 Cu2 51.44(4) . . ?
S4 Cu4 Cu2 106.96(4) 10_766 . ?
S2 Cu4 Cu2 86.92(4) . . ?
S6 Cu4 Cu2 143.37(5) . . ?
Cu7 Cu4 Cu2 60.16(3) . . ?
Cu1 Cu4 Cu2 105.06(5) 10_766 . ?
Cu5 Cu4 Cu6 149.62(10) . 10_766 ?
Cu3 Cu4 Cu6 43.46(4) . 10_766 ?
Cu2 Cu4 Cu6 50.51(4) 10_766 10_766 ?
Cu6 Cu4 Cu6 93.01(6) . 10_766 ?
S4 Cu4 Cu6 82.24(4) 10_766 10_766 ?
S2 Cu4 Cu6 147.12(5) . 10_766 ?
S6 Cu4 Cu6 107.78(4) . 10_766 ?
Cu7 Cu4 Cu6 107.28(5) . 10_766 ?
Cu1 Cu4 Cu6 57.12(3) 10_766 10_766 ?
Cu2 Cu4 Cu6 60.21(4) . 10_766 ?
Cu5 Cu4 Cu3 133.99(9) . 10_766 ?
Cu3 Cu4 Cu3 86.94(5) . 10_766 ?
Cu2 Cu4 Cu3 38.37(4) 10_766 10_766 ?
Cu6 Cu4 Cu3 43.09(4) . 10_766 ?
S4 Cu4 Cu3 143.18(5) 10_766 10_766 ?
S2 Cu4 Cu3 105.47(4) . 10_766 ?
S6 Cu4 Cu3 81.79(3) . 10_766 ?
Cu7 Cu4 Cu3 55.92(3) . 10_766 ?
Cu1 Cu4 Cu3 54.77(3) 10_766 10_766 ?
Cu2 Cu4 Cu3 61.89(3) . 10_766 ?
Cu6 Cu4 Cu3 61.53(3) 10_766 10_766 ?
Cu5 Cu4 H1M 165.90(10) . . ?
Cu3 Cu4 H1M 54.78(4) . . ?
Cu2 Cu4 H1M 51.99(4) 10_766 . ?
Cu6 Cu4 H1M 53.99(4) . . ?
S4 Cu4 H1M 117.74(5) 10_766 . ?
S2 Cu4 H1M 113.76(5) . . ?
S6 Cu4 H1M 110.26(4) . . ?
Cu7 Cu4 H1M 68.30(4) . . ?
Cu1 Cu4 H1M 68.00(4) 10_766 . ?
Cu2 Cu4 H1M 37.31(3) . . ?
Cu6 Cu4 H1M 39.02(3) 10_766 . ?
Cu3 Cu4 H1M 32.16(2) 10_766 . ?
Cu4 Cu5 S2 97.83(9) . . ?
Cu4 Cu5 S6 100.58(9) . . ?
S2 Cu5 S6 119.05(5) . . ?
Cu4 Cu5 S4 82.59(9) . 10_766 ?
S2 Cu5 S4 121.58(5) . 10_766 ?
S6 Cu5 S4 118.15(5) . 10_766 ?
Cu4 Cu5 Cu3 28.56(7) . . ?
S2 Cu5 Cu3 96.43(4) . . ?
S6 Cu5 Cu3 124.43(5) . . ?
S4 Cu5 Cu3 58.96(4) 10_766 . ?
Cu4 Cu5 Cu2 43.27(8) . 10_766 ?
S2 Cu5 Cu2 122.76(5) . 10_766 ?
S6 Cu5 Cu2 57.88(4) . 10_766 ?
S4 Cu5 Cu2 96.92(4) 10_766 10_766 ?
Cu3 Cu5 Cu2 67.21(4) . 10_766 ?
Cu4 Cu5 Cu6 47.96(8) . . ?
S2 Cu5 Cu6 59.78(4) . . ?
S6 Cu5 Cu6 93.79(4) . . ?
S4 Cu5 Cu6 126.31(5) 10_766 . ?
Cu3 Cu5 Cu6 67.44(4) . . ?
Cu2 Cu5 Cu6 63.41(4) 10_766 . ?
Cu4 Cu5 Cu7 61.84(8) . . ?
S2 Cu5 Cu7 46.73(3) . . ?
S6 Cu5 Cu7 95.64(4) . . ?
S4 Cu5 Cu7 135.24(5) 10_766 . ?
Cu3 Cu5 Cu7 78.22(4) . . ?
Cu2 Cu5 Cu7 76.03(4) 10_766 . ?
Cu6 Cu5 Cu7 14.51(2) . . ?
Cu7 Cu6 Cu3 141.06(13) . 10_766 ?
Cu7 Cu6 Cu4 118.87(12) . . ?
Cu3 Cu6 Cu4 86.63(6) 10_766 . ?
Cu7 Cu6 Cu2 124.62(12) . . ?
Cu3 Cu6 Cu2 87.58(6) 10_766 . ?
Cu4 Cu6 Cu2 77.27(5) . . ?
Cu7 Cu6 S5 75.59(11) . . ?
Cu3 Cu6 S5 67.95(4) 10_766 . ?
Cu4 Cu6 S5 109.24(5) . . ?
Cu2 Cu6 S5 153.75(6) . . ?
Cu7 Cu6 S3 69.30(10) . . ?
Cu3 Cu6 S3 111.75(5) 10_766 . ?
Cu4 Cu6 S3 139.05(5) . . ?
Cu2 Cu6 S3 67.79(4) . . ?
S5 Cu6 S3 111.56(5) . . ?
Cu7 Cu6 S2 58.37(10) . . ?
Cu3 Cu6 S2 144.94(6) 10_766 . ?
Cu4 Cu6 S2 62.16(4) . . ?
Cu2 Cu6 S2 99.66(4) . . ?
S5 Cu6 S2 105.84(5) . . ?
S3 Cu6 S2 102.66(5) . . ?
Cu7 Cu6 Cu1 107.55(11) . . ?
Cu3 Cu6 Cu1 99.34(5) 10_766 . ?
Cu4 Cu6 Cu1 92.77(5) . . ?
Cu2 Cu6 Cu1 18.92(3) . . ?
S5 Cu6 Cu1 153.19(5) . . ?
S3 Cu6 Cu1 49.54(3) . . ?
S2 Cu6 Cu1 97.81(4) . . ?
Cu7 Cu6 Cu5 103.26(11) . . ?
Cu3 Cu6 Cu5 96.85(5) 10_766 . ?
Cu4 Cu6 Cu5 16.58(3) . . ?
Cu2 Cu6 Cu5 90.73(5) . . ?
S5 Cu6 Cu5 101.13(4) . . ?
S3 Cu6 Cu5 142.56(5) . . ?
S2 Cu6 Cu5 49.20(3) . . ?
Cu1 Cu6 Cu5 103.86(4) . . ?
Cu7 Cu6 Cu2 145.86(12) . 10_766 ?
Cu3 Cu6 Cu2 39.06(4) 10_766 10_766 ?
Cu4 Cu6 Cu2 48.27(4) . 10_766 ?
Cu2 Cu6 Cu2 86.31(5) . 10_766 ?
S5 Cu6 Cu2 80.55(4) . 10_766 ?
S3 Cu6 Cu2 143.57(6) . 10_766 ?
S2 Cu6 Cu2 106.75(4) . 10_766 ?
Cu1 Cu6 Cu2 104.79(5) . 10_766 ?
Cu5 Cu6 Cu2 57.87(3) . 10_766 ?
Cu7 Cu6 Cu4 152.46(12) . 10_766 ?
Cu3 Cu6 Cu4 40.90(4) 10_766 10_766 ?
Cu4 Cu6 Cu4 86.99(6) . 10_766 ?
Cu2 Cu6 Cu4 47.77(4) . 10_766 ?
S5 Cu6 Cu4 106.28(5) . 10_766 ?
S3 Cu6 Cu4 85.06(4) . 10_766 ?
S2 Cu6 Cu4 141.23(5) . 10_766 ?
Cu1 Cu6 Cu4 58.49(3) . 10_766 ?
Cu5 Cu6 Cu4 103.26(5) . 10_766 ?
Cu2 Cu6 Cu4 58.53(4) 10_766 10_766 ?
Cu7 Cu6 Cu3 134.83(12) . . ?
Cu3 Cu6 Cu3 83.83(5) 10_766 . ?
Cu4 Cu6 Cu3 39.78(4) . . ?
Cu2 Cu6 Cu3 37.62(4) . . ?
S5 Cu6 Cu3 140.76(5) . . ?
S3 Cu6 Cu3 103.82(4) . . ?
S2 Cu6 Cu3 81.64(4) . . ?
Cu1 Cu6 Cu3 54.49(3) . . ?
Cu5 Cu6 Cu3 54.37(3) . . ?
Cu2 Cu6 Cu3 60.68(3) 10_766 . ?
Cu4 Cu6 Cu3 59.71(3) 10_766 . ?
Cu7 Cu6 H1M 166.37(13) . . ?
Cu3 Cu6 H1M 51.89(4) 10_766 . ?
Cu4 Cu6 H1M 50.24(4) . . ?
Cu2 Cu6 H1M 49.50(4) . . ?
S5 Cu6 H1M 114.41(5) . . ?
S3 Cu6 H1M 112.72(5) . . ?
S2 Cu6 H1M 108.69(5) . . ?
Cu1 Cu6 H1M 68.08(4) . . ?
Cu5 Cu6 H1M 66.57(4) . . ?
Cu2 Cu6 H1M 36.81(3) 10_766 . ?
Cu4 Cu6 H1M 36.75(3) 10_766 . ?
Cu3 Cu6 H1M 31.94(2) . . ?
Cu6 Cu7 S2 104.14(12) . . ?
Cu6 Cu7 S3 91.69(11) . . ?
S2 Cu7 S3 119.03(5) . . ?
Cu6 Cu7 S5 84.99(11) . . ?
S2 Cu7 S5 119.60(5) . . ?
S3 Cu7 S5 120.20(5) . . ?
Cu6 Cu7 Cu3 28.34(9) . 10_766 ?
S2 Cu7 Cu3 124.63(5) . 10_766 ?
S3 Cu7 Cu3 95.92(5) . 10_766 ?
S5 Cu7 Cu3 58.74(4) . 10_766 ?
Cu6 Cu7 Cu4 46.63(10) . . ?
S2 Cu7 Cu4 59.13(4) . . ?
S3 Cu7 Cu4 122.61(5) . . ?
S5 Cu7 Cu4 96.82(4) . . ?
Cu3 Cu7 Cu4 66.06(4) 10_766 . ?
Cu6 Cu7 Cu2 42.07(10) . . ?
S2 Cu7 Cu2 93.48(4) . . ?
S3 Cu7 Cu2 61.21(4) . . ?
S5 Cu7 Cu2 124.59(5) . . ?
Cu3 Cu7 Cu2 65.94(4) 10_766 . ?
Cu4 Cu7 Cu2 61.75(4) . . ?
Cu6 Cu7 Cu5 62.23(10) . . ?
S2 Cu7 Cu5 46.59(3) . . ?
S3 Cu7 Cu5 134.93(5) . . ?
S5 Cu7 Cu5 94.96(4) . . ?
Cu3 Cu7 Cu5 78.13(4) 10_766 . ?
Cu4 Cu7 Cu5 16.33(2) . . ?
Cu2 Cu7 Cu5 76.12(4) . . ?
Cu6 Cu7 Cu1 58.29(10) . . ?
S2 Cu7 Cu1 96.08(4) . . ?
S3 Cu7 Cu1 45.19(3) . . ?
S5 Cu7 Cu1 134.76(5) . . ?
Cu3 Cu7 Cu1 78.74(4) 10_766 . ?
Cu4 Cu7 Cu1 77.45(4) . . ?
Cu2 Cu7 Cu1 17.64(2) . . ?
Cu5 Cu7 Cu1 90.31(4) . . ?
Cu9 Cu8 S7 104.47(14) . . ?
Cu9 Cu8 S8 92.03(12) . 3_665 ?
S7 Cu8 S8 126.45(10) . 3_665 ?
Cu9 Cu8 S8 83.82(15) . 17 ?
S7 Cu8 S8 115.51(8) . 17 ?
S8 Cu8 S8 116.71(7) 3_665 17 ?
Cu9 Cu8 S7B 107.5(3) . 18_545 ?
S7 Cu8 S7B 14.6(3) . 18_545 ?
S8 Cu8 S7B 111.9(3) 3_665 18_545 ?
S8 Cu8 S7B 129.6(3) 17 18_545 ?
Cu9 Cu8 S8B 94.6(3) . 17 ?
S7 Cu8 S8B 109.4(4) . 17 ?
S8 Cu8 S8B 17.3(3) 3_665 17 ?
S8 Cu8 S8B 134.0(3) 17 17 ?
Cu9 Cu8 Cu9 34.71(10) . 18_545 ?
S7 Cu8 Cu9 91.38(7) . 18_545 ?
S8 Cu8 Cu9 124.48(9) 3_665 18_545 ?
S8 Cu8 Cu9 60.29(7) 17 18_545 ?
Cu9 Cu8 Cu9 34.71(9) . 17 ?
S7 Cu8 Cu9 125.44(7) . 17 ?
S8 Cu8 Cu9 57.43(6) 3_665 17 ?
S8 Cu8 Cu9 97.32(9) 17 17 ?
S7B Cu8 Cu9 120.1(3) 18_545 17 ?
S8B Cu8 Cu9 62.5(3) 17 17 ?
Cu9 Cu8 Cu9 67.75(6) 18_545 17 ?
Cu9 Cu8 S8B 77.8(3) . . ?
S7B Cu8 S8B 143.8(4) 18_545 . ?
S8B Cu8 S8B 120.8(3) 17 . ?
Cu9 Cu8 S8B 61.6(2) 18_545 . ?
Cu9 Cu8 S8B 85.1(3) 17 . ?
Cu9 Cu8 Cu10 55.25(13) . . ?
S7 Cu8 Cu10 57.35(7) . . ?
S8 Cu8 Cu10 97.36(6) 3_665 . ?
S8 Cu8 Cu10 127.89(9) 17 . ?
S7B Cu8 Cu10 54.5(3) 18_545 . ?
S8B Cu8 Cu10 84.8(3) 17 . ?
Cu9 Cu8 Cu10 68.09(7) 18_545 . ?
Cu9 Cu8 Cu10 68.09(7) 17 . ?
S8B Cu8 Cu10 129.0(3) . . ?
Cu9 Cu8 Cu11 65.02(14) . . ?
S7 Cu8 Cu11 49.70(7) . . ?
S8 Cu8 Cu11 97.70(6) 3_665 . ?
S8 Cu8 Cu11 134.42(9) 17 . ?
S7B Cu8 Cu11 45.3(3) 18_545 . ?
S8B Cu8 Cu11 83.3(3) 17 . ?
Cu9 Cu8 Cu11 76.01(7) 18_545 . ?
Cu9 Cu8 Cu11 76.01(7) 17 . ?
S8B Cu8 Cu11 137.6(3) . . ?
Cu10 Cu8 Cu11 9.77(9) . . ?
Cu8 Cu9 Cu9 128.40(14) . 18_545 ?
Cu8 Cu9 Cu9 128.40(13) . 17 ?
Cu9 Cu9 Cu9 100.20(11) 18_545 17 ?
Cu8 Cu9 Cu10 104.65(16) . . ?
Cu9 Cu9 Cu10 89.87(7) 18_545 . ?
Cu9 Cu9 Cu10 89.87(7) 17 . ?
Cu8 Cu9 S8 71.99(13) . 17 ?
Cu9 Cu9 S8 69.88(7) 18_545 17 ?
Cu9 Cu9 S8 118.44(13) 17 17 ?
Cu10 Cu9 S8 147.05(7) . 17 ?
Cu8 Cu9 S8 64.80(11) . 3_665 ?
Cu9 Cu9 S8 159.00(13) 18_545 3_665 ?
Cu9 Cu9 S8 63.72(6) 17 3_665 ?
Cu10 Cu9 S8 102.87(6) . 3_665 ?
S8 Cu9 S8 104.74(6) 17 3_665 ?
Cu8 Cu9 S7 54.25(12) . . ?
Cu9 Cu9 S7 98.83(9) 18_545 . ?
Cu9 Cu9 S7 142.64(11) 17 . ?
Cu10 Cu9 S7 58.31(7) . . ?
S8 Cu9 S7 98.23(7) 17 . ?
S8 Cu9 S7 102.06(7) 3_665 . ?
Cu8 Cu9 Cu8 114.91(12) . 17 ?
Cu9 Cu9 Cu8 108.45(10) 18_545 17 ?
Cu9 Cu9 Cu8 16.89(5) 17 17 ?
Cu10 Cu9 Cu8 104.32(6) . 17 ?
S8 Cu9 Cu8 106.63(7) 17 17 ?
S8 Cu9 Cu8 52.51(5) 3_665 17 ?
S7 Cu9 Cu8 147.93(7) . 17 ?
Cu8 Cu9 Cu8 114.90(12) . 18_545 ?
Cu9 Cu9 Cu8 16.89(5) 18_545 18_545 ?
Cu9 Cu9 Cu8 108.47(10) 17 18_545 ?
Cu10 Cu9 Cu8 104.31(6) . 18_545 ?
S8 Cu9 Cu8 53.04(5) 17 18_545 ?
S8 Cu9 Cu8 151.68(9) 3_665 18_545 ?
S7 Cu9 Cu8 98.83(6) . 18_545 ?
Cu8 Cu9 Cu8 112.20(9) 17 18_545 ?
Cu8 Cu9 S8B 81.1(3) . . ?
Cu9 Cu9 S8B 71.2(2) 18_545 . ?
Cu9 Cu9 S8B 102.7(3) 17 . ?
Cu10 Cu9 S8B 158.7(3) . . ?
Cu8 Cu9 S8B 91.2(3) 17 . ?
Cu8 Cu9 S8B 55.6(2) 18_545 . ?
Cu8 Cu9 S8B 64.4(3) . 17 ?
Cu9 Cu9 S8B 167.0(3) 18_545 17 ?
Cu9 Cu9 S8B 67.0(3) 17 17 ?
Cu10 Cu9 S8B 87.9(3) . 17 ?
S8 Cu9 S8B 117.4(3) 17 17 ?
S8 Cu9 S8B 15.5(3) 3_665 17 ?
S7 Cu9 S8B 90.8(3) . 17 ?
Cu8 Cu9 S8B 59.9(3) 17 17 ?
Cu8 Cu9 S8B 167.2(3) 18_545 17 ?
Cu8 Cu9 Cu11 96.19(16) . . ?
Cu9 Cu9 Cu11 95.29(8) 18_545 . ?
Cu9 Cu9 Cu11 95.28(8) 17 . ?
Cu10 Cu9 Cu11 8.46(8) . . ?
S8 Cu9 Cu11 144.62(7) 17 . ?
S8 Cu9 Cu11 99.45(6) 3_665 . ?
S7 Cu9 Cu11 51.05(6) . . ?
Cu8 Cu9 Cu11 108.55(6) 17 . ?
Cu8 Cu9 Cu11 108.55(6) 18_545 . ?
S8B Cu9 Cu11 159.1(3) . . ?
S8B Cu9 Cu11 84.1(3) 17 . ?
Cu8 Cu9 H2M 162.78(18) . . ?
Cu9 Cu9 H2M 56.91(2) 18_545 . ?
Cu9 Cu9 H2M 56.91(2) 17 . ?
Cu10 Cu9 H2M 58.13(7) . . ?
S8 Cu9 H2M 121.87(8) 17 . ?
S8 Cu9 H2M 116.23(6) 3_665 . ?
S7 Cu9 H2M 110.62(7) . . ?
Cu8 Cu9 H2M 72.90(5) 17 . ?
Cu8 Cu9 H2M 72.90(5) 18_545 . ?
S8B Cu9 H2M 114.9(3) . . ?
S8B Cu9 H2M 111.6(2) 17 . ?
Cu11 Cu9 H2M 66.59(7) . . ?
Cu11 Cu10 Cu9 133.46(7) . 3_665 ?
Cu11 Cu10 Cu9 133.46(7) . 2_655 ?
Cu9 Cu10 Cu9 77.90(10) 3_665 2_655 ?
Cu11 Cu10 Cu9 133.45(7) . . ?
Cu9 Cu10 Cu9 77.90(10) 3_665 . ?
Cu9 Cu10 Cu9 77.90(10) 2_655 . ?
Cu11 Cu10 S7B 60.0(4) . 16_655 ?
Cu9 Cu10 S7B 118.2(3) 3_665 16_655 ?
Cu9 Cu10 S7B 75.3(3) 2_655 16_655 ?
Cu9 Cu10 S7B 144.4(3) . 16_655 ?
Cu11 Cu10 S7B 60.0(4) . 18_545 ?
Cu9 Cu10 S7B 144.4(3) 3_665 18_545 ?
Cu9 Cu10 S7B 118.2(3) 2_655 18_545 ?
Cu9 Cu10 S7B 75.3(3) . 18_545 ?
Cu11 Cu10 S7B 60.0(4) . 17 ?
Cu9 Cu10 S7B 75.3(3) 3_665 17 ?
Cu9 Cu10 S7B 144.4(3) 2_655 17 ?
Cu9 Cu10 S7B 118.2(3) . 17 ?
S7B Cu10 S7B 97.2(5) 16_655 17 ?
S7B Cu10 S7B 97.2(5) 18_545 17 ?
Cu11 Cu10 S7 72.25(8) . 3_665 ?
Cu9 Cu10 S7 66.46(6) 3_665 3_665 ?
Cu9 Cu10 S7 142.88(10) 2_655 3_665 ?
Cu9 Cu10 S7 103.37(6) . 3_665 ?
Cu11 Cu10 S7 72.25(8) . 2_655 ?
Cu9 Cu10 S7 103.37(6) 3_665 2_655 ?
Cu9 Cu10 S7 66.46(6) 2_655 2_655 ?
Cu9 Cu10 S7 142.89(10) . 2_655 ?
S7B Cu10 S7 15.3(3) 16_655 2_655 ?
S7B Cu10 S7 112.2(3) 18_545 2_655 ?
S7B Cu10 S7 97.5(3) 17 2_655 ?
S7 Cu10 S7 111.13(8) 3_665 2_655 ?
Cu11 Cu10 S7 72.25(8) . . ?
Cu9 Cu10 S7 142.88(10) 3_665 . ?
Cu9 Cu10 S7 103.37(6) 2_655 . ?
Cu9 Cu10 S7 66.46(6) . . ?
S7 Cu10 S7 111.13(8) 3_665 . ?
S7 Cu10 S7 111.13(8) 2_655 . ?
Cu11 Cu10 Cu8 113.36(7) . 2_655 ?
Cu9 Cu10 Cu8 93.47(10) 3_665 2_655 ?
Cu9 Cu10 Cu8 20.10(5) 2_655 2_655 ?
Cu9 Cu10 Cu8 93.47(9) . 2_655 ?
S7 Cu10 Cu8 149.78(5) 3_665 2_655 ?
S7 Cu10 Cu8 49.49(5) 2_655 2_655 ?
S7 Cu10 Cu8 98.51(5) . 2_655 ?
Cu11 Cu10 Cu8 113.36(8) . . ?
Cu9 Cu10 Cu8 93.47(9) 3_665 . ?
Cu9 Cu10 Cu8 93.47(10) 2_655 . ?
Cu9 Cu10 Cu8 20.10(5) . . ?
S7B Cu10 Cu8 142.3(3) 16_655 . ?
S7B Cu10 Cu8 56.2(3) 18_545 . ?
S7B Cu10 Cu8 111.1(3) 17 . ?
S7 Cu10 Cu8 98.51(5) 3_665 . ?
S7 Cu10 Cu8 149.78(5) 2_655 . ?
S7 Cu10 Cu8 49.49(5) . . ?
Cu8 Cu10 Cu8 105.32(8) 2_655 . ?
Cu11 Cu10 H2M 180.0 . . ?
Cu9 Cu10 H2M 46.54(7) 3_665 . ?
Cu9 Cu10 H2M 46.54(7) 2_655 . ?
Cu9 Cu10 H2M 46.55(7) . . ?
S7B Cu10 H2M 120.0(4) 16_655 . ?
S7B Cu10 H2M 120.0(4) 18_545 . ?
S7B Cu10 H2M 120.0(4) 17 . ?
S7 Cu10 H2M 107.75(8) 3_665 . ?
S7 Cu10 H2M 107.75(8) 2_655 . ?
S7 Cu10 H2M 107.75(8) . . ?
Cu8 Cu10 H2M 66.64(7) 2_655 . ?
Cu8 Cu10 H2M 66.64(7) . . ?
Cu10 Cu11 S7B 107.2(4) . 16_655 ?
Cu10 Cu11 S7B 107.1(4) . 18_545 ?
Cu10 Cu11 S7B 107.1(4) . 17 ?
S7B Cu11 S7B 111.7(4) 16_655 17 ?
S7B Cu11 S7B 111.7(4) 18_545 17 ?
Cu10 Cu11 S7 94.48(12) . 3_665 ?
Cu10 Cu11 S7 94.48(12) . 2_655 ?
S7B Cu11 S7 16.0(4) 16_655 2_655 ?
S7B Cu11 S7 126.1(3) 18_545 2_655 ?
S7B Cu11 S7 107.6(4) 17 2_655 ?
S7 Cu11 S7 119.40(3) 3_665 2_655 ?
Cu10 Cu11 S7 94.48(12) . . ?
S7 Cu11 S7 119.40(3) 3_665 . ?
S7 Cu11 S7 119.40(3) 2_655 . ?
Cu10 Cu11 Cu9 38.08(7) . 3_665 ?
S7B Cu11 Cu9 110.6(4) 16_655 3_665 ?
S7B Cu11 Cu9 132.2(4) 18_545 3_665 ?
S7B Cu11 Cu9 70.9(4) 17 3_665 ?
S7 Cu11 Cu9 61.29(8) 3_665 3_665 ?
S7 Cu11 Cu9 94.62(9) 2_655 3_665 ?
S7 Cu11 Cu9 125.74(15) . 3_665 ?
Cu10 Cu11 Cu9 38.08(6) . 2_655 ?
S7 Cu11 Cu9 125.74(15) 3_665 2_655 ?
S7 Cu11 Cu9 61.29(8) 2_655 2_655 ?
S7 Cu11 Cu9 94.62(9) . 2_655 ?
Cu9 Cu11 Cu9 64.57(10) 3_665 2_655 ?
Cu10 Cu11 Cu9 38.08(7) . . ?
S7B Cu11 Cu9 132.2(4) 16_655 . ?
S7B Cu11 Cu9 70.9(4) 18_545 . ?
S7B Cu11 Cu9 110.6(4) 17 . ?
S7 Cu11 Cu9 94.62(9) 3_665 . ?
S7 Cu11 Cu9 125.75(15) 2_655 . ?
S7 Cu11 Cu9 61.29(8) . . ?
Cu9 Cu11 Cu9 64.57(10) 3_665 . ?
Cu9 Cu11 Cu9 64.57(10) 2_655 . ?
Cu10 Cu11 Cu8 56.87(8) . 2_655 ?
S7 Cu11 Cu8 138.80(13) 3_665 2_655 ?
S7 Cu11 Cu8 46.13(6) 2_655 2_655 ?
S7 Cu11 Cu8 93.93(7) . 2_655 ?
Cu9 Cu11 Cu8 80.10(11) 3_665 2_655 ?
Cu9 Cu11 Cu8 18.79(4) 2_655 2_655 ?
Cu9 Cu11 Cu8 80.10(11) . 2_655 ?
Cu10 Cu11 Cu8 56.87(8) . . ?
S7B Cu11 Cu8 139.3(4) 16_655 . ?
S7B Cu11 Cu8 53.2(4) 18_545 . ?
S7B Cu11 Cu8 108.9(4) 17 . ?
S7 Cu11 Cu8 93.93(7) 3_665 . ?
S7 Cu11 Cu8 138.80(13) 2_655 . ?
S7 Cu11 Cu8 46.13(6) . . ?
Cu9 Cu11 Cu8 80.10(11) 3_665 . ?
Cu9 Cu11 Cu8 80.10(11) 2_655 . ?
Cu9 Cu11 Cu8 18.79(4) . . ?
Cu8 Cu11 Cu8 92.98(11) 2_655 . ?
P1 S1 Cu1 101.10(5) . . ?
P1 S1 Cu2 101.61(5) . . ?
Cu1 S1 Cu2 22.94(3) . . ?
P1 S1 Cu3 105.56(5) . . ?
Cu1 S1 Cu3 67.50(4) . . ?
Cu2 S1 Cu3 44.91(4) . . ?
P1 S2 Cu5 110.24(5) . . ?
P1 S2 Cu7 102.44(5) . . ?
Cu5 S2 Cu7 86.68(5) . . ?
P1 S2 Cu4 100.33(5) . . ?
Cu5 S2 Cu4 20.36(3) . . ?
Cu7 S2 Cu4 70.94(4) . . ?
P1 S2 Cu6 100.10(5) . . ?
Cu5 S2 Cu6 71.02(4) . . ?
Cu7 S2 Cu6 17.49(3) . . ?
Cu4 S2 Cu6 53.94(4) . . ?
P2 S3 Cu1 106.66(5) . . ?
P2 S3 Cu7 106.14(5) . . ?
Cu1 S3 Cu7 87.39(5) . . ?
P2 S3 Cu6 98.08(5) . . ?
Cu1 S3 Cu6 72.91(5) . . ?
Cu7 S3 Cu6 19.01(3) . . ?
P2 S3 Cu2 102.12(5) . . ?
Cu1 S3 Cu2 19.77(3) . . ?
Cu7 S3 Cu2 69.84(4) . . ?
Cu6 S3 Cu2 53.85(4) . . ?
P2 S4 Cu5 105.76(5) . 10_766 ?
P2 S4 Cu4 101.51(5) . 10_766 ?
Cu5 S4 Cu4 21.66(3) 10_766 10_766 ?
P2 S4 Cu3 103.69(5) . 10_766 ?
Cu5 S4 Cu3 67.65(4) 10_766 10_766 ?
Cu4 S4 Cu3 47.19(4) 10_766 10_766 ?
P3 S5 Cu7 100.44(5) . . ?
P3 S5 Cu6 99.75(5) . . ?
Cu7 S5 Cu6 19.42(3) . . ?
P3 S5 Cu3 104.05(5) . 10_766 ?
Cu7 S5 Cu3 68.67(4) . 10_766 ?
Cu6 S5 Cu3 49.71(4) . 10_766 ?
P3 S6 Cu5 102.02(5) . . ?
P3 S6 Cu1 110.71(5) . 10_766 ?
Cu5 S6 Cu1 87.94(5) . 10_766 ?
P3 S6 Cu2 98.38(5) . 10_766 ?
Cu5 S6 Cu2 71.75(4) . 10_766 ?
Cu1 S6 Cu2 22.39(3) 10_766 10_766 ?
P3 S6 Cu4 100.53(4) . . ?
Cu5 S6 Cu4 19.82(3) . . ?
Cu1 S6 Cu4 69.77(4) 10_766 . ?
Cu2 S6 Cu4 52.11(4) 10_766 . ?
O8 P4 O7 101.29(19) . . ?
O8 P4 S8 104.88(14) . . ?
O7 P4 S8 111.58(14) . . ?
O8 P4 S7 111.82(15) . . ?
O7 P4 S7 108.99(13) . . ?
S8 P4 S7 117.10(8) . . ?
P4 S7 Cu8 113.08(10) . . ?
P4 S7 Cu11 104.13(6) . . ?
Cu8 S7 Cu11 84.17(11) . . ?
P4 S7 Cu10 101.27(6) . . ?
Cu8 S7 Cu10 73.16(9) . . ?
Cu11 S7 Cu10 13.28(13) . . ?
P4 S7 Cu9 103.01(8) . . ?
Cu8 S7 Cu9 21.28(5) . . ?
Cu11 S7 Cu9 67.66(11) . . ?
Cu10 S7 Cu9 55.23(8) . . ?
P4 S8 Cu8 101.77(8) . 2_655 ?
P4 S8 Cu8 110.61(7) . 18_545 ?
Cu8 S8 Cu8 89.27(10) 2_655 18_545 ?
P4 S8 Cu9 100.21(7) . 18_545 ?
Cu8 S8 Cu9 69.52(7) 2_655 18_545 ?
Cu8 S8 Cu9 24.19(5) 18_545 18_545 ?
P4 S8 Cu9 102.29(7) . 2_655 ?
Cu8 S8 Cu9 23.16(5) 2_655 2_655 ?
Cu8 S8 Cu9 67.20(7) 18_545 2_655 ?
Cu9 S8 Cu9 46.39(6) 18_545 2_655 ?
O7 P4B O8B 74.7(12) 17 . ?
O7 P4B S8B 85.2(7) 17 . ?
O8B P4B S8B 113.3(14) . . ?
O7 P4B S7B 152.7(9) 17 . ?
O8B P4B S7B 107.8(14) . . ?
S8B P4B S7B 116.6(8) . . ?
P4B S8B Cu9 103.8(6) . . ?
Cu8 S8B Cu9 62.0(3) 18_545 . ?
P4B S8B Cu8 111.7(6) . . ?
Cu8 S8B Cu8 76.1(4) 18_545 . ?
Cu9 S8B Cu8 21.14(12) . . ?
Cu8 S8B Cu9 20.97(12) 18_545 18_545 ?
Cu9 S8B Cu9 41.7(2) . 18_545 ?
Cu8 S8B Cu9 58.4(3) . 18_545 ?
Cu11 S7B Cu10 12.86(16) 16_655 16_655 ?
P4B S7B Cu8 92.7(7) . 17 ?
Cu11 S7B Cu8 81.5(6) 16_655 17 ?
Cu10 S7B Cu8 69.4(5) 16_655 17 ?
O2 P1 O1 101.40(13) . . ?
O2 P1 S1 110.19(10) . . ?
O1 P1 S1 113.10(10) . . ?
O2 P1 S2 109.97(10) . . ?
O1 P1 S2 104.42(10) . . ?
S1 P1 S2 116.58(5) . . ?
O3 P2 O4 104.7(2) . . ?
O3 P2 S4 106.80(10) . . ?
O4 P2 S4 111.17(12) . . ?
O3 P2 S3 109.42(11) . . ?
O4 P2 S3 105.66(13) . . ?
S4 P2 S3 118.32(5) . . ?
O5 P3 O6 102.01(13) . . ?
O5 P3 S5 107.40(10) . . ?
O6 P3 S5 109.69(10) . . ?
O5 P3 S6 110.67(10) . . ?
O6 P3 S6 108.78(10) . . ?
S5 P3 S6 117.21(5) . . ?
C1 O1 P1 124.5(3) . . ?
C4 O2 P1 122.3(2) . . ?
C7 O3 P2 122.3(2) . . ?
C10B O4 P2 145.2(7) . . ?
C10 O4 P2 126.0(3) . . ?
C13 O5 P3 126.9(2) . . ?
C16 O6 P3 121.1(2) . . ?
C19 O7 P4B 111.0(5) . 18_545 ?
C19 O7 P4 124.7(3) . . ?
C3 C1 O1 106.9(4) . . ?
C3 C1 C2 121.7(6) . . ?
O1 C1 C2 114.1(5) . . ?
C3 C1 H1 104.1 . . ?
O1 C1 H1 104.1 . . ?
C2 C1 H1 104.1 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
O2 C4 C6 107.1(3) . . ?
O2 C4 C5 107.6(3) . . ?
C6 C4 C5 113.0(3) . . ?
O2 C4 H4 109.7 . . ?
C6 C4 H4 109.7 . . ?
C5 C4 H4 109.7 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O3 C7 C9 108.2(3) . . ?
O3 C7 C8 106.3(3) . . ?
C9 C7 C8 113.2(4) . . ?
O3 C7 H7 109.7 . . ?
C9 C7 H7 109.7 . . ?
C8 C7 H7 109.7 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O4 C10 C11 109.4(5) . . ?
O4 C10 C12 104.7(5) . . ?
C11 C10 C12 113.6(5) . . ?
O4 C10 H10 109.6 . . ?
C11 C10 H10 109.6 . . ?
C12 C10 H10 109.6 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O4 C10B C11B 113.0(11) . . ?
O4 C10B C12B 106.8(11) . . ?
C11B C10B C12B 116.8(12) . . ?
O4 C10B H10B 106.5 . . ?
C11B C10B H10B 106.5 . . ?
C12B C10B H10B 106.5 . . ?
C10B C11B H11D 109.5 . . ?
C10B C11B H11E 109.5 . . ?
H11D C11B H11E 109.5 . . ?
C10B C11B H11F 109.5 . . ?
H11D C11B H11F 109.5 . . ?
H11E C11B H11F 109.5 . . ?
C10B C12B H12D 109.5 . . ?
C10B C12B H12E 109.5 . . ?
H12D C12B H12E 109.5 . . ?
C10B C12B H12F 109.5 . . ?
H12D C12B H12F 109.5 . . ?
H12E C12B H12F 109.5 . . ?
O5 C13 C14 109.5(3) . . ?
O5 C13 C15 105.0(3) . . ?
C14 C13 C15 113.4(3) . . ?
O5 C13 H13 109.6 . . ?
C14 C13 H13 109.6 . . ?
C15 C13 H13 109.6 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O6 C16 C18 106.6(3) . . ?
O6 C16 C17 108.5(4) . . ?
C18 C16 C17 113.7(4) . . ?
O6 C16 H16 109.3 . . ?
C18 C16 H16 109.3 . . ?
C17 C16 H16 109.3 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O7 C19 C21 109.5(4) . . ?
O7 C19 C20 106.9(4) . . ?
C21 C19 C20 113.2(4) . . ?
O7 C19 H19 109.1 . . ?
C21 C19 H19 109.1 . . ?
C20 C19 H19 109.1 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C22 O8 P4 120.9(3) . . ?
O8 C22 C23 106.4(5) . . ?
O8 C22 C24 106.0(5) . . ?
C23 C22 C24 113.4(6) . . ?
O8 C22 H22 110.3 . . ?
C23 C22 H22 110.3 . . ?
C24 C22 H22 110.3 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C22B O8B P4B 151(4) . . ?
O8B C22B C23B 133(5) . . ?
O8B C22B C24B 110(4) . . ?
C23B C22B C24B 116(4) . . ?
O8B C22B H22B 93.1 . . ?
C23B C22B H22B 93.1 . . ?
C24B C22B H22B 93.1 . . ?
C22B C23B H23D 109.5 . . ?
C22B C23B H23E 109.5 . . ?
H23D C23B H23E 109.5 . . ?
C22B C23B H23F 109.5 . . ?
H23D C23B H23F 109.5 . . ?
H23E C23B H23F 109.5 . . ?
C22B C24B H24D 109.5 . . ?
C22B C24B H24E 109.5 . . ?
H24D C24B H24E 109.5 . . ?
C22B C24B H24F 109.5 . . ?
H24D C24B H24F 109.5 . . ?
H24E C24B H24F 109.5 . . ?

_refine_diff_density_max         1.772
_refine_diff_density_min         -0.831
_refine_diff_density_rms         0.088

####################################################################### 
# 
# 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_5a
_database_code_depnum_ccdc_archive 'CCDC 2051210'
loop_
_audit_author_name
_audit_author_address
'Jian-Hong Liao'
;Department of Chemistry, National Dong Hwa University
Taiwan
;
_audit_update_record             
;
2020-12-18 deposited with the CCDC.	2021-03-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C108 H255 Ag2 Cu19 O36 P18 S36'
_chemical_formula_weight         5264.72

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'
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'
S S 0.1246 0.1234 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

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

_cell_length_a                   13.3391(6)
_cell_length_b                   36.3109(14)
_cell_length_c                   21.0510(9)
_cell_angle_alpha                90
_cell_angle_beta                 93.3921(13)
_cell_angle_gamma                90
_cell_volume                     10178.3(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9808
_cell_measurement_theta_min      2.24
_cell_measurement_theta_max      26.29

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.718
_exptl_crystal_F_000             5364
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    2.693
_shelx_estimated_absorpt_T_min   0.530
_shelx_estimated_absorpt_T_max   0.877
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6353
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            81366
_diffrn_reflns_av_unetI/netI     0.0340
_diffrn_reflns_av_R_equivalents  0.0410
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.629
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             17887
_reflns_number_gt                14610
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0902P)²+90.5090P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         17887
_refine_ls_number_parameters     1146
_refine_ls_number_restraints     360
_refine_ls_R_factor_all          0.0872
_refine_ls_R_factor_gt           0.0721
_refine_ls_wR_factor_ref         0.1971
_refine_ls_wR_factor_gt          0.1845
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.6958(9) 0.0990(4) 0.7351(5) 0.080(3) Uani 1 1 d . U . . .
H1 H 0.7594 0.1073 0.7583 0.096 Uiso 1 1 calc R U . . .
C2 C 0.6785(11) 0.1224(4) 0.6746(5) 0.093(4) Uani 1 1 d . U . . .
H2A H 0.7336 0.1184 0.6466 0.140 Uiso 1 1 calc R U . . .
H2B H 0.6760 0.1485 0.6863 0.140 Uiso 1 1 calc R U . . .
H2C H 0.6148 0.1153 0.6524 0.140 Uiso 1 1 calc R U . . .
C3 C 0.7025(12) 0.0607(4) 0.7238(7) 0.101(4) Uani 1 1 d . U . . .
H3A H 0.7144 0.0477 0.7645 0.152 Uiso 1 1 calc R U . . .
H3B H 0.7583 0.0558 0.6967 0.152 Uiso 1 1 calc R U . . .
H3C H 0.6396 0.0519 0.7026 0.152 Uiso 1 1 calc R U . . .
C4 C 0.5344(7) 0.0394(2) 0.9015(4) 0.0479(19) Uani 1 1 d . U . . .
H4 H 0.5758 0.0502 0.9381 0.057 Uiso 1 1 calc R U . . .
C5 C 0.5681(11) 0.0012(3) 0.8895(6) 0.083(3) Uani 1 1 d . U . . .
H5A H 0.5353 -0.0077 0.8495 0.125 Uiso 1 1 calc R U . . .
H5B H 0.5501 -0.0147 0.9246 0.125 Uiso 1 1 calc R U . . .
H5C H 0.6411 0.0010 0.8864 0.125 Uiso 1 1 calc R U . . .
C6 C 0.4249(8) 0.0423(3) 0.9142(6) 0.076(3) Uani 1 1 d . U . . .
H6A H 0.4090 0.0677 0.9253 0.114 Uiso 1 1 calc R U . . .
H6B H 0.4102 0.0259 0.9495 0.114 Uiso 1 1 calc R U . . .
H6C H 0.3842 0.0350 0.8759 0.114 Uiso 1 1 calc R U . . .
C7 C 0.9365(8) 0.3126(3) 1.0460(7) 0.108(4) Uani 1 1 d D U . . .
H7 H 0.8883 0.3043 1.0106 0.130 Uiso 1 1 calc R U . . .
C8 C 1.0427(7) 0.3107(4) 1.0236(9) 0.127(5) Uani 1 1 d D U . . .
H8A H 1.0903 0.3189 1.0579 0.190 Uiso 1 1 calc R U . . .
H8B H 1.0481 0.3267 0.9865 0.190 Uiso 1 1 calc R U . . .
H8C H 1.0582 0.2853 1.0120 0.190 Uiso 1 1 calc R U . . .
C9 C 0.9003(14) 0.3492(4) 1.0721(9) 0.136(6) Uani 1 1 d D U . . .
H9A H 0.8325 0.3461 1.0869 0.204 Uiso 1 1 calc R U . . .
H9B H 0.8991 0.3679 1.0384 0.204 Uiso 1 1 calc R U . . .
H9C H 0.9460 0.3571 1.1077 0.204 Uiso 1 1 calc R U . . .
C10 C 0.8415(7) 0.2641(3) 1.2236(5) 0.067(3) Uani 1 1 d . U . . .
H10 H 0.7702 0.2678 1.2074 0.081 Uiso 1 1 calc R U . . .
C11 C 0.8897(12) 0.3003(4) 1.2384(6) 0.111(5) Uani 1 1 d . U . . .
H11A H 0.9594 0.2964 1.2542 0.166 Uiso 1 1 calc R U . . .
H11B H 0.8530 0.3130 1.2709 0.166 Uiso 1 1 calc R U . . .
H11C H 0.8883 0.3154 1.1997 0.166 Uiso 1 1 calc R U . . .
C12 C 0.8461(8) 0.2385(4) 1.2794(5) 0.077(3) Uani 1 1 d . U . . .
H12A H 0.8235 0.2139 1.2654 0.115 Uiso 1 1 calc R U . . .
H12B H 0.8025 0.2477 1.3117 0.115 Uiso 1 1 calc R U . . .
H12C H 0.9154 0.2370 1.2975 0.115 Uiso 1 1 calc R U . . .
C13 C 1.0199(11) 0.0734(4) 0.8678(5) 0.125(5) Uani 1 1 d D U . . .
H13 H 0.9805 0.0936 0.8458 0.150 Uiso 1 1 calc R U . . .
C14 C 0.9756(11) 0.0367(4) 0.8494(8) 0.125(5) Uani 1 1 d D U . . .
H14A H 0.9945 0.0185 0.8824 0.187 Uiso 1 1 calc R U . . .
H14B H 1.0011 0.0288 0.8089 0.187 Uiso 1 1 calc R U . . .
H14C H 0.9023 0.0387 0.8449 0.187 Uiso 1 1 calc R U . . .
C15 C 1.1292(12) 0.0756(6) 0.8518(9) 0.164(7) Uani 1 1 d D U . . .
H15A H 1.1342 0.0725 0.8059 0.247 Uiso 1 1 calc R U . . .
H15B H 1.1566 0.0997 0.8648 0.247 Uiso 1 1 calc R U . . .
H15C H 1.1675 0.0561 0.8746 0.247 Uiso 1 1 calc R U . . .
C16 C 1.1701(7) 0.1111(3) 1.0547(4) 0.061(2) Uani 1 1 d . U . . .
H16 H 1.1262 0.0923 1.0737 0.073 Uiso 1 1 calc R U . . .
C17 C 1.1960(9) 0.1415(4) 1.1025(5) 0.079(3) Uani 1 1 d . U . . .
H17A H 1.2383 0.1599 1.0831 0.118 Uiso 1 1 calc R U . . .
H17B H 1.2323 0.1309 1.1401 0.118 Uiso 1 1 calc R U . . .
H17C H 1.1340 0.1532 1.1152 0.118 Uiso 1 1 calc R U . . .
C18 C 1.2630(8) 0.0935(4) 1.0327(5) 0.076(3) Uani 1 1 d . U . . .
H18A H 1.2445 0.0738 1.0024 0.113 Uiso 1 1 calc R U . . .
H18B H 1.3020 0.0831 1.0694 0.113 Uiso 1 1 calc R U . . .
H18C H 1.3034 0.1120 1.0120 0.113 Uiso 1 1 calc R U . . .
C19 C 0.3985(10) 0.2997(3) 0.9944(8) 0.146(6) Uani 1 1 d D U . . .
H19 H 0.3527 0.2969 0.9553 0.176 Uiso 1 1 calc R U . . .
C20 C 0.3398(13) 0.3108(4) 1.0517(9) 0.148(7) Uani 1 1 d D U . . .
H20A H 0.2713 0.3010 1.0465 0.222 Uiso 1 1 calc R U . . .
H20B H 0.3373 0.3377 1.0546 0.222 Uiso 1 1 calc R U . . .
H20C H 0.3732 0.3008 1.0907 0.222 Uiso 1 1 calc R U . . .
C21 C 0.4816(11) 0.3268(3) 0.9836(10) 0.140(7) Uani 1 1 d D U . . .
H21A H 0.4524 0.3503 0.9693 0.211 Uiso 1 1 calc R U . . .
H21B H 0.5222 0.3304 1.0234 0.211 Uiso 1 1 calc R U . . .
H21C H 0.5241 0.3171 0.9510 0.211 Uiso 1 1 calc R U . . .
C22 C 0.2916(6) 0.1953(3) 0.9515(4) 0.0474(19) Uani 1 1 d . U . . .
H22 H 0.3168 0.1773 0.9846 0.057 Uiso 1 1 calc R U . . .
C23 C 0.2535(6) 0.1749(3) 0.8937(4) 0.0479(19) Uani 1 1 d . U . . .
H23A H 0.2297 0.1925 0.8609 0.072 Uiso 1 1 calc R U . . .
H23B H 0.1980 0.1589 0.9045 0.072 Uiso 1 1 calc R U . . .
H23C H 0.3078 0.1600 0.8777 0.072 Uiso 1 1 calc R U . . .
C24 C 0.2138(7) 0.2198(3) 0.9791(6) 0.071(3) Uani 1 1 d . U . . .
H24A H 0.2403 0.2297 1.0201 0.107 Uiso 1 1 calc R U . . .
H24B H 0.1530 0.2055 0.9855 0.107 Uiso 1 1 calc R U . . .
H24C H 0.1975 0.2402 0.9498 0.107 Uiso 1 1 calc R U . . .
C25 C 0.9802(5) 0.2612(2) 0.7775(3) 0.0363(16) Uani 1 1 d . U . . .
H25 H 0.9554 0.2848 0.7954 0.044 Uiso 1 1 calc R U . . .
C26 C 0.9994(7) 0.2658(3) 0.7082(4) 0.059(2) Uani 1 1 d . U . . .
H26A H 1.0221 0.2424 0.6911 0.088 Uiso 1 1 calc R U . . .
H26B H 1.0513 0.2846 0.7037 0.088 Uiso 1 1 calc R U . . .
H26C H 0.9373 0.2735 0.6848 0.088 Uiso 1 1 calc R U . . .
C27 C 1.0710(7) 0.2479(3) 0.8160(5) 0.062(2) Uani 1 1 d . U . . .
H27A H 1.0534 0.2432 0.8598 0.092 Uiso 1 1 calc R U . . .
H27B H 1.1238 0.2667 0.8160 0.092 Uiso 1 1 calc R U . . .
H27C H 1.0954 0.2250 0.7974 0.092 Uiso 1 1 calc R U . . .
C28 C 0.6612(5) 0.2682(2) 0.7465(3) 0.0327(15) Uani 1 1 d . U . . .
H28 H 0.6151 0.2472 0.7547 0.039 Uiso 1 1 calc R U . . .
C29 C 0.7046(7) 0.2629(3) 0.6828(4) 0.051(2) Uani 1 1 d . U . . .
H29A H 0.7491 0.2836 0.6745 0.076 Uiso 1 1 calc R U . . .
H29B H 0.6501 0.2619 0.6496 0.076 Uiso 1 1 calc R U . . .
H29C H 0.7430 0.2399 0.6830 0.076 Uiso 1 1 calc R U . . .
C30 C 0.6059(6) 0.3038(2) 0.7523(4) 0.0416(18) Uani 1 1 d . U . . .
H30A H 0.5874 0.3071 0.7963 0.062 Uiso 1 1 calc R U . . .
H30B H 0.5449 0.3035 0.7239 0.062 Uiso 1 1 calc R U . . .
H30C H 0.6490 0.3242 0.7405 0.062 Uiso 1 1 calc R U . . .
C31 C 0.7518(12) 0.0443(3) 1.1564(7) 0.098(4) Uani 1 1 d . U . . .
H31 H 0.6779 0.0397 1.1570 0.117 Uiso 1 1 calc R U . . .
C32 C 0.7873(12) 0.0267(4) 1.0948(8) 0.112(5) Uani 1 1 d . U . . .
H32A H 0.7495 0.0374 1.0579 0.169 Uiso 1 1 calc R U . . .
H32B H 0.7757 0.0001 1.0958 0.169 Uiso 1 1 calc R U . . .
H32C H 0.8591 0.0315 1.0916 0.169 Uiso 1 1 calc R U . . .
C33 C 0.7968(15) 0.0283(4) 1.2120(8) 0.134(6) Uani 1 1 d . U . . .
H33A H 0.8539 0.0434 1.2276 0.200 Uiso 1 1 calc R U . . .
H33B H 0.8203 0.0035 1.2023 0.200 Uiso 1 1 calc R U . . .
H33C H 0.7476 0.0269 1.2446 0.200 Uiso 1 1 calc R U . . .
C34 C 0.4972(9) 0.1010(3) 1.1996(5) 0.073(3) Uani 1 1 d . U . . .
H34 H 0.4701 0.0872 1.1612 0.087 Uiso 1 1 calc R U . . .
C35 C 0.4468(14) 0.1359(4) 1.2029(7) 0.119(5) Uani 1 1 d . U . . .
H35A H 0.4709 0.1489 1.2416 0.179 Uiso 1 1 calc R U . . .
H35B H 0.3742 0.1318 1.2039 0.179 Uiso 1 1 calc R U . . .
H35C H 0.4607 0.1507 1.1656 0.179 Uiso 1 1 calc R U . . .
C36 C 0.4910(10) 0.0767(4) 1.2588(6) 0.086(3) Uani 1 1 d . U . . .
H36A H 0.5399 0.0566 1.2572 0.129 Uiso 1 1 calc R U . . .
H36B H 0.4233 0.0664 1.2599 0.129 Uiso 1 1 calc R U . . .
H36C H 0.5060 0.0915 1.2971 0.129 Uiso 1 1 calc R U . . .
C37 C 0.2392(8) 0.1318(2) 0.3956(6) 0.074(3) Uani 1 1 d . U . . .
H37 H 0.1807 0.1344 0.3639 0.089 Uiso 1 1 calc R U . . .
C38 C 0.2222(16) 0.1525(3) 0.4501(9) 0.165(8) Uani 1 1 d . U . . .
H38A H 0.1583 0.1450 0.4669 0.247 Uiso 1 1 calc R U . . .
H38B H 0.2196 0.1787 0.4392 0.247 Uiso 1 1 calc R U . . .
H38C H 0.2769 0.1482 0.4825 0.247 Uiso 1 1 calc R U . . .
C39 C 0.3331(9) 0.1433(3) 0.3662(6) 0.075(3) Uani 1 1 d . U . . .
H39A H 0.3279 0.1692 0.3535 0.112 Uiso 1 1 calc R U . . .
H39B H 0.3430 0.1281 0.3286 0.112 Uiso 1 1 calc R U . . .
H39C H 0.3904 0.1402 0.3971 0.112 Uiso 1 1 calc R U . . .
C40 C 0.1431(10) 0.0507(4) 0.2594(5) 0.089(3) Uani 1 1 d . U . . .
H40 H 0.0985 0.0309 0.2750 0.106 Uiso 1 1 calc R U . . .
C41 C 0.2059(14) 0.0363(5) 0.2123(7) 0.132(6) Uani 1 1 d . U . . .
H41A H 0.2515 0.0556 0.1991 0.198 Uiso 1 1 calc R U . . .
H41B H 0.1640 0.0278 0.1754 0.198 Uiso 1 1 calc R U . . .
H41C H 0.2453 0.0156 0.2304 0.198 Uiso 1 1 calc R U . . .
C42 C 0.0786(16) 0.0821(6) 0.2253(7) 0.153(7) Uani 1 1 d . U . . .
H42A H 0.1112 0.1060 0.2338 0.229 Uiso 1 1 calc R U . . .
H42B H 0.0113 0.0824 0.2415 0.229 Uiso 1 1 calc R U . . .
H42C H 0.0734 0.0776 0.1793 0.229 Uiso 1 1 calc R U . . .
C43 C 0.2536(10) -0.1194(3) 0.6441(5) 0.078(3) Uani 1 1 d . U . . .
H43 H 0.2880 -0.0972 0.6629 0.094 Uiso 1 1 calc R U . . .
C44 C 0.3253(9) -0.1501(3) 0.6436(5) 0.075(3) Uani 1 1 d . U . . .
H44A H 0.2925 -0.1716 0.6234 0.112 Uiso 1 1 calc R U . . .
H44B H 0.3482 -0.1563 0.6874 0.112 Uiso 1 1 calc R U . . .
H44C H 0.3830 -0.1429 0.6197 0.112 Uiso 1 1 calc R U . . .
C45 C 0.1679(12) -0.1296(6) 0.6829(7) 0.137(7) Uani 1 1 d . U . . .
H45A H 0.1300 -0.1073 0.6926 0.206 Uiso 1 1 calc R U . . .
H45B H 0.1936 -0.1411 0.7226 0.206 Uiso 1 1 calc R U . . .
H45C H 0.1238 -0.1469 0.6589 0.206 Uiso 1 1 calc R U . . .
C46 C 0.4183(6) -0.0518(2) 0.5156(5) 0.049(2) Uani 1 1 d . U . . .
H46 H 0.3846 -0.0273 0.5177 0.059 Uiso 1 1 calc R U . . .
C47 C 0.4587(13) -0.0563(5) 0.4515(8) 0.122(5) Uani 1 1 d . U . . .
H47A H 0.5049 -0.0360 0.4437 0.182 Uiso 1 1 calc R U . . .
H47B H 0.4031 -0.0560 0.4189 0.182 Uiso 1 1 calc R U . . .
H47C H 0.4946 -0.0798 0.4497 0.182 Uiso 1 1 calc R U . . .
C48 C 0.4963(9) -0.0534(5) 0.5632(7) 0.111(5) Uani 1 1 d . U . . .
H48A H 0.4801 -0.0375 0.5988 0.167 Uiso 1 1 calc R U . . .
H48B H 0.5589 -0.0450 0.5458 0.167 Uiso 1 1 calc R U . . .
H48C H 0.5046 -0.0788 0.5782 0.167 Uiso 1 1 calc R U . . .
C49 C 0.3281(9) 0.0604(4) 0.6852(7) 0.091(3) Uani 1 1 d . U . . .
H49 H 0.3393 0.0677 0.6404 0.109 Uiso 1 1 calc R U . . .
C50 C 0.3924(10) 0.0288(4) 0.7051(8) 0.117(5) Uani 1 1 d . U . . .
H50A H 0.4620 0.0372 0.7124 0.175 Uiso 1 1 calc R U . . .
H50B H 0.3887 0.0100 0.6716 0.175 Uiso 1 1 calc R U . . .
H50C H 0.3690 0.0183 0.7445 0.175 Uiso 1 1 calc R U . . .
C51 C 0.3420(12) 0.0923(5) 0.7288(10) 0.139(7) Uani 1 1 d . U . . .
H51A H 0.3068 0.0877 0.7675 0.209 Uiso 1 1 calc R U . . .
H51B H 0.3147 0.1145 0.7077 0.209 Uiso 1 1 calc R U . . .
H51C H 0.4138 0.0958 0.7399 0.209 Uiso 1 1 calc R U . . .
C52 C 0.0422(8) 0.1289(3) 0.6663(5) 0.064(2) Uani 1 1 d . U . . .
H52 H 0.0037 0.1212 0.6263 0.077 Uiso 1 1 calc R U . . .
C53 C -0.0293(12) 0.1364(4) 0.7185(7) 0.109(5) Uani 1 1 d . U . . .
H53A H -0.0637 0.1135 0.7290 0.163 Uiso 1 1 calc R U . . .
H53B H -0.0790 0.1548 0.7037 0.163 Uiso 1 1 calc R U . . .
H53C H 0.0088 0.1456 0.7565 0.163 Uiso 1 1 calc R U . . .
C54 C 0.1075(10) 0.1628(3) 0.6537(7) 0.090(4) Uani 1 1 d . U . . .
H54A H 0.1423 0.1708 0.6936 0.136 Uiso 1 1 calc R U . . .
H54B H 0.0648 0.1828 0.6364 0.136 Uiso 1 1 calc R U . . .
H54C H 0.1571 0.1563 0.6230 0.136 Uiso 1 1 calc R U . . .
Cu1 Cu 0.72618(9) 0.22319(5) 0.97248(6) 0.0350(3) Uani 0.4875 1 d . . P . .
Cu2 Cu 0.63941(11) 0.14594(4) 0.98655(6) 0.0261(3) Uani 0.4875 1 d . . P . .
Cu3 Cu 0.79542(10) 0.15210(4) 0.90512(10) 0.0421(4) Uani 0.4875 1 d . . P . .
Cu4 Cu 0.82610(12) 0.16038(4) 1.05216(8) 0.0434(3) Uani 0.4875 1 d . . P . .
Ag1 Ag 0.72618(9) 0.22319(5) 0.97248(6) 0.0350(3) Uani 0.1625 1 d . . P . .
Ag2 Ag 0.63941(11) 0.14594(4) 0.98655(6) 0.0261(3) Uani 0.1625 1 d . . P . .
Ag3 Ag 0.79542(10) 0.15210(4) 0.90512(10) 0.0421(4) Uani 0.1625 1 d . . P . .
Ag4 Ag 0.82610(12) 0.16038(4) 1.05216(8) 0.0434(3) Uani 0.1625 1 d . . P . .
Cu5 Cu 0.6362(3) 0.18553(13) 0.8998(2) 0.0561(11) Uani 0.2625 1 d . . P . .
Cu6 Cu 0.6757(2) 0.19081(10) 1.0494(2) 0.0652(10) Uani 0.2625 1 d . . P . .
Cu7 Cu 0.8648(3) 0.19593(8) 0.96805(12) 0.0488(7) Uani 0.2625 1 d . . P . .
Cu8 Cu 0.7303(3) 0.12818(12) 0.98641(14) 0.0657(10) Uani 0.2625 1 d . U P . .
Ag5 Ag 0.6362(3) 0.18553(13) 0.8998(2) 0.0561(11) Uani 0.0875 1 d . . P . .
Ag6 Ag 0.6757(2) 0.19081(10) 1.0494(2) 0.0652(10) Uani 0.0875 1 d . . P . .
Ag7 Ag 0.8648(3) 0.19593(8) 0.96805(12) 0.0488(7) Uani 0.0875 1 d . . P . .
Ag8 Ag 0.7303(3) 0.12818(12) 0.98641(14) 0.0657(10) Uani 0.0875 1 d . . P . .
Cu9 Cu 0.61226(15) 0.18862(6) 0.87550(8) 0.0225(4) Uani 0.65 1 d . . P . .
Cu10 Cu 0.66104(14) 0.20083(5) 1.08338(8) 0.0212(4) Uani 0.5 1 d . . P . .
Cu11 Cu 0.92028(12) 0.20217(5) 0.96363(7) 0.0246(4) Uani 0.6 1 d . . P . .
Cu12 Cu 0.7475(6) 0.1056(3) 0.9921(4) 0.0713(19) Uani 0.2 1 d . U P . .
Cu13 Cu 0.7171(2) 0.24737(10) 0.96873(13) 0.0156(6) Uani 0.25 1 d . . P . .
Cu14 Cu 0.5977(7) 0.1520(2) 0.9953(3) 0.062(2) Uani 0.2 1 d . U P . .
Cu15 Cu 0.8648(2) 0.15971(8) 1.08123(14) 0.0327(6) Uani 0.35 1 d . . P . .
Cu16 Cu 0.8125(3) 0.14769(10) 0.87286(18) 0.0196(8) Uani 0.25 1 d . . P . .
Cu17 Cu 0.00149(16) 0.05126(8) 0.50509(11) 0.0369(5) Uani 0.5 1 d . . P . .
Cu18 Cu 0.07091(16) -0.01868(6) 0.44126(11) 0.0397(5) Uani 0.5 1 d . . P . .
Cu19 Cu 0.13673(17) 0.00854(6) 0.51005(10) 0.0358(5) Uani 0.5 1 d . . P . .
Cu20 Cu 0.03554(16) -0.01490(6) 0.58400(12) 0.0347(4) Uani 0.5 1 d . . P . .
Cu21 Cu 0.01568(15) 0.07089(7) 0.49853(10) 0.0294(5) Uani 0.5 1 d . . P . .
Cu22 Cu 0.1053(6) -0.0303(2) 0.4140(4) 0.0158(14) Uani 0.1 1 d . . P . .
Cu23 Cu 0.18823(17) 0.01865(5) 0.52339(9) 0.0274(4) Uani 0.5 1 d . . P . .
Cu24 Cu -0.05996(17) 0.02493(6) 0.38398(12) 0.0256(5) Uani 0.4 1 d . . P . .
O1 O 0.6127(4) 0.10771(17) 0.7733(2) 0.0456(13) Uani 1 1 d . U . . .
O2 O 0.5499(4) 0.06061(14) 0.8436(2) 0.0374(11) Uani 1 1 d . U . . .
O3 O 0.9390(6) 0.2865(2) 1.0941(6) 0.108(3) Uani 1 1 d D U . . .
O4 O 0.8986(5) 0.2453(2) 1.1750(3) 0.068(2) Uani 1 1 d . U . . .
O5 O 1.0216(8) 0.07838(19) 0.9363(3) 0.097(3) Uani 1 1 d D U . . .
O6 O 1.1167(4) 0.12899(19) 1.0006(3) 0.0523(15) Uani 1 1 d . U . . .
O7 O 0.4360(7) 0.26586(19) 1.0147(5) 0.108(4) Uani 1 1 d D U . . .
O8 O 0.3759(3) 0.21759(16) 0.9317(3) 0.0449(14) Uani 1 1 d . U . . .
O9 O 0.9023(3) 0.23243(14) 0.7793(2) 0.0308(10) Uani 1 1 d . U . . .
O10 O 0.7429(3) 0.26941(13) 0.7973(2) 0.0296(10) Uani 1 1 d . U . . .
O11 O 0.7647(6) 0.0826(2) 1.1523(4) 0.075(2) Uani 1 1 d . U . . .
O12 O 0.6069(6) 0.1051(3) 1.1970(3) 0.100(3) Uani 1 1 d . U . . .
O13 O 0.2521(4) 0.09262(13) 0.4143(3) 0.0389(12) Uani 1 1 d . U . . .
O14 O 0.2037(5) 0.06602(19) 0.3110(3) 0.0620(17) Uani 1 1 d . U . . .
O15 O 0.2129(5) -0.11089(18) 0.5815(3) 0.0665(18) Uani 1 1 d . U . . .
O16 O 0.3467(5) -0.0801(2) 0.5284(5) 0.095(3) Uani 1 1 d . U . . .
O17 O 0.2191(5) 0.04732(18) 0.6916(3) 0.0550(16) Uani 1 1 d . U . . .
O18 O 0.1080(5) 0.10075(17) 0.6877(3) 0.0594(16) Uani 1 1 d . U . . .
P1 P 0.60750(13) 0.09866(5) 0.84619(8) 0.0297(4) Uani 1 1 d . . . . .
P2 P 0.88334(14) 0.25045(6) 1.10145(10) 0.0389(5) Uani 1 1 d D . . . .
P3 P 1.00835(14) 0.11607(6) 0.97297(9) 0.0352(4) Uani 1 1 d . . . . .
P4 P 0.46670(14) 0.23099(5) 0.97749(10) 0.0349(4) Uani 1 1 d . . . . .
P5 P 0.80962(12) 0.23591(5) 0.82247(8) 0.0240(3) Uani 1 1 d . . . . .
P6 P 0.67136(16) 0.11125(6) 1.14042(9) 0.0411(5) Uani 1 1 d . . . . .
P7 P 0.18084(14) 0.06203(5) 0.38324(9) 0.0341(4) Uani 1 1 d . . . . .
P8 P 0.23448(14) -0.07509(5) 0.54170(12) 0.0431(5) Uani 1 1 d . . . . .
P9 P 0.12444(15) 0.06352(5) 0.65165(9) 0.0360(4) Uani 1 1 d . . . . .
S1 S 0.52027(12) 0.13712(5) 0.88311(8) 0.0309(4) Uani 1 1 d . . . . .
S2 S 0.74333(13) 0.09135(5) 0.88952(10) 0.0389(4) Uani 1 1 d . . . . .
S3 S 0.73793(12) 0.25709(5) 1.07283(8) 0.0314(4) Uani 1 1 d . . . . .
S4 S 0.95970(12) 0.20776(5) 1.06726(8) 0.0322(4) Uani 1 1 d . . . . .
S5 S 0.91621(14) 0.10543(6) 1.04132(9) 0.0379(4) Uani 1 1 d . . . . .
S6 S 0.97248(12) 0.15539(5) 0.90855(8) 0.0323(4) Uani 1 1 d . . . . .
S7 S 0.49887(15) 0.19411(7) 1.04561(9) 0.0447(5) Uani 1 1 d . . . . .
S8 S 0.57338(12) 0.24401(5) 0.91684(8) 0.0279(4) Uani 1 1 d . . . . .
S9 S 0.85462(12) 0.25205(5) 0.91118(7) 0.0263(3) Uani 1 1 d . . . . .
S10 S 0.73882(12) 0.18753(5) 0.80920(7) 0.0277(4) Uani 1 1 d . . . . .
S11 S 0.74065(15) 0.16044(5) 1.14837(8) 0.0381(4) Uani 1 1 d . . . . .
S12 S 0.6016(3) 0.09682(7) 1.05997(11) 0.0713(8) Uani 1 1 d . . . . .
S13 S 0.03556(14) 0.07516(5) 0.39332(9) 0.0373(4) Uani 1 1 d . . . . .
S14 S 0.22802(14) 0.01351(5) 0.41797(11) 0.0416(5) Uani 1 1 d . . . . .
S15 S 0.22113(14) -0.02922(6) 0.59530(10) 0.0407(4) Uani 1 1 d . . . . .
S16 S -0.14368(17) 0.07974(6) 0.53663(10) 0.0456(5) Uani 1 1 d . . . . .
S17 S 0.01063(15) 0.02879(5) 0.66321(9) 0.0387(4) Uani 1 1 d . . . . .
S18 S 0.15923(13) 0.07507(5) 0.56203(8) 0.0322(4) Uani 1 1 d . . . . .
H1M H 0.731(7) 0.175(3) 0.976(5) 0.07(3) Uiso 1 1 d . . . . .
H2M H 0.0000 0.0000 0.5000 0.050 Uiso 1 2 d S U P . .


_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 C3 1.415(18) . ?
C1 O1 1.443(11) . ?
C1 C2 1.538(17) . ?
C1 H1 1.0000 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 O2 1.467(10) . ?
C4 C5 1.485(14) . ?
C4 C6 1.502(13) . ?
C4 H4 1.0000 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 O3 1.387(9) . ?
C7 C8 1.521(9) . ?
C7 C9 1.528(9) . ?
C7 H7 1.0000 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 O4 1.478(10) . ?
C10 C11 1.487(17) . ?
C10 C12 1.496(17) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 O5 1.453(9) . ?
C13 C14 1.499(9) . ?
C13 C15 1.518(10) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 O6 1.459(9) . ?
C16 C18 1.492(13) . ?
C16 C17 1.518(16) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 O7 1.383(9) . ?
C19 C21 1.510(9) . ?
C19 C20 1.530(9) . ?
C19 H19 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 O8 1.466(9) . ?
C22 C23 1.488(12) . ?
C22 C24 1.509(13) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 O9 1.474(8) . ?
C25 C27 1.497(12) . ?
C25 C26 1.505(11) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 O10 1.483(7) . ?
C28 C30 1.500(10) . ?
C28 C29 1.503(11) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 O11 1.404(14) . ?
C31 C33 1.41(2) . ?
C31 C32 1.546(19) . ?
C31 H31 1.0000 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.436(19) . ?
C34 O12 1.474(13) . ?
C34 C36 1.535(16) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.402(18) . ?
C37 O13 1.484(10) . ?
C37 C39 1.490(13) . ?
C37 H37 1.0000 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 O14 1.429(12) . ?
C40 C41 1.433(19) . ?
C40 C42 1.58(2) . ?
C40 H40 1.0000 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 O15 1.428(12) . ?
C43 C44 1.469(15) . ?
C43 C45 1.49(2) . ?
C43 H43 1.0000 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 C48 1.402(15) . ?
C46 O16 1.438(11) . ?
C46 C47 1.493(16) . ?
C46 H46 1.0000 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.476(19) . ?
C49 C51 1.48(2) . ?
C49 O17 1.544(13) . ?
C49 H49 1.0000 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 O18 1.405(12) . ?
C52 C53 1.522(16) . ?
C52 C54 1.540(15) . ?
C52 H52 1.0000 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
Cu1 Cu13 0.889(3) . ?
Cu1 Cu7 2.104(4) . ?
Cu1 Cu6 2.141(4) . ?
Cu1 Cu5 2.331(5) . ?
Cu1 S8 2.411(2) . ?
Cu1 S9 2.441(2) . ?
Cu1 S3 2.442(2) . ?
Cu1 Cu10 2.665(2) . ?
Cu1 Cu11 2.716(2) . ?
Cu1 H1M 1.76(10) . ?
Cu2 Cu14 0.636(6) . ?
Cu2 Cu8 1.373(5) . ?
Cu2 Cu12 2.053(10) . ?
Cu2 Cu6 2.136(5) . ?
Cu2 Cu5 2.322(5) . ?
Cu2 S12 2.432(3) . ?
Cu2 S1 2.638(2) . ?
Cu2 Cu3 2.782(2) . ?
Cu2 H1M 1.63(10) . ?
Cu3 Cu16 0.746(3) . ?
Cu3 Cu8 2.148(4) . ?
Cu3 Cu7 2.236(4) . ?
Cu3 S2 2.330(2) . ?
Cu3 S6 2.362(2) . ?
Cu3 Cu5 2.443(5) . ?
Cu3 S10 2.474(2) . ?
Cu3 Cu12 2.598(9) . ?
Cu3 Cu11 2.712(2) . ?
Cu3 H1M 1.94(10) . ?
Cu4 Cu15 0.777(3) . ?
Cu4 Cu8 2.170(4) . ?
Cu4 Cu7 2.275(4) . ?
Cu4 Cu6 2.288(3) . ?
Cu4 S5 2.348(2) . ?
Cu4 S11 2.382(2) . ?
Cu4 S4 2.484(2) . ?
Cu4 Cu12 2.548(9) . ?
Cu4 Cu10 2.758(2) . ?
Cu4 H1M 2.06(10) . ?
Cu5 Cu9 0.597(4) . ?
Cu5 S8 2.319(5) . ?
Cu5 S1 2.354(5) . ?
Cu5 S10 2.414(5) . ?
Cu5 Cu14 2.430(9) . ?
Cu5 Cu16 2.810(6) . ?
Cu5 H1M 2.02(10) . ?
Cu6 Cu10 0.837(4) . ?
Cu6 Cu14 2.055(11) . ?
Cu6 S7 2.359(4) . ?
Cu6 S11 2.469(4) . ?
Cu6 S3 2.584(5) . ?
Cu6 Cu13 2.741(4) . ?
Cu6 H1M 1.85(10) . ?
Cu7 Cu11 0.785(4) . ?
Cu7 S9 2.363(3) . ?
Cu7 S4 2.416(3) . ?
Cu7 S6 2.452(3) . ?
Cu7 Cu13 2.715(5) . ?
Cu7 Cu16 2.721(5) . ?
Cu7 H1M 1.96(10) . ?
Cu8 Cu12 0.857(9) . ?
Cu8 Cu14 1.988(8) . ?
Cu8 S2 2.453(4) . ?
Cu8 S12 2.637(5) . ?
Cu8 H1M 1.70(10) . ?
Cu9 S1 2.248(3) . ?
Cu9 S10 2.254(3) . ?
Cu9 S8 2.264(3) . ?
Cu9 Cu14 2.867(7) . ?
Cu10 S11 2.231(3) . ?
Cu10 S7 2.273(3) . ?
Cu10 S3 2.302(3) . ?
Cu10 Cu14 2.667(9) . ?
Cu11 S6 2.193(2) . ?
Cu11 S4 2.223(2) . ?
Cu11 S9 2.270(2) . ?
Cu11 Cu15 3.045(3) . ?
Cu12 S2 2.218(8) . ?
Cu12 S5 2.421(8) . ?
Cu12 S12 2.502(8) . ?
Cu12 Cu14 2.618(11) . ?
Cu13 S8 2.153(3) . ?
Cu13 S3 2.221(3) . ?
Cu13 S9 2.264(3) . ?
Cu14 S7 2.316(7) . ?
Cu14 S12 2.422(7) . ?
Cu14 S1 2.578(8) . ?
Cu14 H1M 2.02(10) . ?
Cu15 S4 2.186(4) . ?
Cu15 S11 2.240(3) . ?
Cu15 S5 2.265(3) . ?
Cu16 S10 2.167(4) . ?
Cu16 S6 2.238(4) . ?
Cu16 S2 2.280(4) . ?
Cu17 Cu21 0.752(2) . ?
Cu17 Cu18 1.933(4) 3_556 ?
Cu17 Cu20 2.323(3) 3_556 ?
Cu17 S16 2.326(3) . ?
Cu17 Cu19 2.377(3) . ?
Cu17 Cu22 2.407(8) 3_556 ?
Cu17 S18 2.513(3) . ?
Cu17 S13 2.573(3) . ?
Cu17 Cu23 2.764(3) . ?
Cu17 Cu24 2.800(3) . ?
Cu17 Cu19 2.854(4) 3_556 ?
Cu17 Cu20 2.941(4) . ?
Cu17 H2M 1.864(3) . ?
Cu18 Cu22 0.867(8) . ?
Cu18 Cu19 1.922(3) . ?
Cu18 Cu20 1.923(3) 3_556 ?
Cu18 Cu17 1.933(4) 3_556 ?
Cu18 S17 2.423(3) 3_556 ?
Cu18 S16 2.454(3) 3_556 ?
Cu18 S14 2.474(3) . ?
Cu18 Cu21 2.590(3) 3_556 ?
Cu18 Cu24 2.600(3) . ?
Cu18 Cu23 2.637(3) . ?
Cu18 Cu19 3.032(3) 3_556 ?
Cu18 H2M 1.738(3) . ?
Cu19 Cu23 0.814(2) . ?
Cu19 Cu20 2.284(3) . ?
Cu19 S14 2.356(3) . ?
Cu19 S15 2.476(3) . ?
Cu19 Cu22 2.482(9) . ?
Cu19 S18 2.662(3) . ?
Cu19 Cu21 2.783(3) . ?
Cu19 Cu24 2.788(3) 3_556 ?
Cu19 Cu17 2.854(4) 3_556 ?
Cu19 Cu20 2.952(4) 3_556 ?
Cu19 H2M 1.850(2) . ?
Cu20 Cu24 0.817(2) 3_556 ?
Cu20 Cu18 1.923(3) 3_556 ?
Cu20 Cu17 2.322(3) 3_556 ?
Cu20 S17 2.339(3) . ?
Cu20 S13 2.443(3) 3_556 ?
Cu20 Cu22 2.498(9) 3_556 ?
Cu20 S15 2.527(3) . ?
Cu20 Cu21 2.734(3) 3_556 ?
Cu20 Cu23 2.751(3) . ?
Cu20 Cu19 2.952(4) 3_556 ?
Cu20 H2M 1.883(3) . ?
Cu21 S13 2.251(3) . ?
Cu21 S18 2.275(3) . ?
Cu21 S16 2.338(3) . ?
Cu21 Cu18 2.590(3) 3_556 ?
Cu21 Cu20 2.734(3) 3_556 ?
Cu21 Cu22 2.918(8) 3_556 ?
Cu21 Cu23 3.004(3) . ?
Cu21 Cu24 3.054(3) . ?
Cu22 S16 2.121(7) 3_556 ?
Cu22 S17 2.177(7) 3_556 ?
Cu22 S14 2.281(7) . ?
Cu22 Cu17 2.407(8) 3_556 ?
Cu22 Cu20 2.498(9) 3_556 ?
Cu22 Cu21 2.918(8) 3_556 ?
Cu22 Cu24 3.020(8) . ?
Cu23 S18 2.246(3) . ?
Cu23 S14 2.320(3) . ?
Cu23 S15 2.330(3) . ?
Cu24 Cu20 0.817(2) 3_556 ?
Cu24 S15 2.224(3) 3_556 ?
Cu24 S13 2.227(3) . ?
Cu24 S17 2.302(3) 3_556 ?
Cu24 Cu19 2.788(3) 3_556 ?
O1 P1 1.576(5) . ?
O2 P1 1.580(5) . ?
O3 P2 1.517(8) . ?
O4 P2 1.562(7) . ?
O5 P3 1.586(7) . ?
O6 P3 1.596(6) . ?
O7 P4 1.556(7) . ?
O8 P4 1.579(6) . ?
O9 P5 1.582(5) . ?
O10 P5 1.580(5) . ?
O11 P6 1.630(7) . ?
O12 P6 1.527(8) . ?
O13 P7 1.578(5) . ?
O14 P7 1.576(6) . ?
O15 P8 1.582(7) . ?
O16 P8 1.550(7) . ?
O17 P9 1.587(6) . ?
O18 P9 1.572(6) . ?
P1 S2 1.997(2) . ?
P1 S1 2.004(2) . ?
P2 S3 2.011(2) . ?
P2 S4 2.011(3) . ?
P3 S5 1.985(3) . ?
P3 S6 2.008(3) . ?
P4 S7 1.990(3) . ?
P4 S8 2.023(2) . ?
P5 S10 2.006(2) . ?
P5 S9 2.015(2) . ?
P6 S12 1.955(3) . ?
P6 S11 2.014(3) . ?
P7 S14 1.995(3) . ?
P7 S13 2.019(3) . ?
P8 S16 1.995(3) 3_556 ?
P8 S15 2.026(3) . ?
P9 S17 1.999(3) . ?
P9 S18 2.013(3) . ?
S13 Cu20 2.443(3) 3_556 ?
S15 Cu24 2.224(3) 3_556 ?
S16 P8 1.995(3) 3_556 ?
S16 Cu22 2.121(7) 3_556 ?
S16 Cu18 2.454(3) 3_556 ?
S17 Cu22 2.177(7) 3_556 ?
S17 Cu24 2.302(3) 3_556 ?
S17 Cu18 2.423(3) 3_556 ?

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
C3 C1 O1 111.6(11) . . ?
C3 C1 C2 114.4(10) . . ?
O1 C1 C2 104.9(10) . . ?
C3 C1 H1 108.6 . . ?
O1 C1 H1 108.6 . . ?
C2 C1 H1 108.6 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
O2 C4 C5 106.7(7) . . ?
O2 C4 C6 107.3(8) . . ?
C5 C4 C6 113.7(9) . . ?
O2 C4 H4 109.7 . . ?
C5 C4 H4 109.7 . . ?
C6 C4 H4 109.7 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O3 C7 C8 102.2(11) . . ?
O3 C7 C9 109.0(12) . . ?
C8 C7 C9 118.1(12) . . ?
O3 C7 H7 109.0 . . ?
C8 C7 H7 109.0 . . ?
C9 C7 H7 109.0 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O4 C10 C11 108.6(9) . . ?
O4 C10 C12 104.9(8) . . ?
C11 C10 C12 112.9(9) . . ?
O4 C10 H10 110.1 . . ?
C11 C10 H10 110.1 . . ?
C12 C10 H10 110.1 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O5 C13 C14 110.5(11) . . ?
O5 C13 C15 104.7(11) . . ?
C14 C13 C15 111.1(13) . . ?
O5 C13 H13 110.2 . . ?
C14 C13 H13 110.2 . . ?
C15 C13 H13 110.2 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O6 C16 C18 108.9(7) . . ?
O6 C16 C17 106.0(8) . . ?
C18 C16 C17 110.9(9) . . ?
O6 C16 H16 110.3 . . ?
C18 C16 H16 110.3 . . ?
C17 C16 H16 110.3 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O7 C19 C21 111.7(11) . . ?
O7 C19 C20 100.6(10) . . ?
C21 C19 C20 111.2(12) . . ?
O7 C19 H19 111.0 . . ?
C21 C19 H19 111.0 . . ?
C20 C19 H19 111.0 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O8 C22 C23 105.8(6) . . ?
O8 C22 C24 110.0(8) . . ?
C23 C22 C24 113.5(7) . . ?
O8 C22 H22 109.2 . . ?
C23 C22 H22 109.2 . . ?
C24 C22 H22 109.2 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O9 C25 C27 107.8(7) . . ?
O9 C25 C26 105.4(6) . . ?
C27 C25 C26 112.4(7) . . ?
O9 C25 H25 110.3 . . ?
C27 C25 H25 110.3 . . ?
C26 C25 H25 110.3 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O10 C28 C30 105.0(5) . . ?
O10 C28 C29 110.0(6) . . ?
C30 C28 C29 113.5(7) . . ?
O10 C28 H28 109.4 . . ?
C30 C28 H28 109.4 . . ?
C29 C28 H28 109.4 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O11 C31 C33 114.3(15) . . ?
O11 C31 C32 108.2(11) . . ?
C33 C31 C32 112.9(12) . . ?
O11 C31 H31 107.0 . . ?
C33 C31 H31 107.0 . . ?
C32 C31 H31 107.0 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 O12 112.5(11) . . ?
C35 C34 C36 114.8(11) . . ?
O12 C34 C36 100.8(10) . . ?
C35 C34 H34 109.4 . . ?
O12 C34 H34 109.4 . . ?
C36 C34 H34 109.4 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 O13 108.6(11) . . ?
C38 C37 C39 111.8(11) . . ?
O13 C37 C39 106.9(8) . . ?
C38 C37 H37 109.8 . . ?
O13 C37 H37 109.8 . . ?
C39 C37 H37 109.8 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O14 C40 C41 109.9(11) . . ?
O14 C40 C42 109.4(12) . . ?
C41 C40 C42 106.0(12) . . ?
O14 C40 H40 110.5 . . ?
C41 C40 H40 110.5 . . ?
C42 C40 H40 110.5 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
O15 C43 C44 111.7(10) . . ?
O15 C43 C45 107.3(10) . . ?
C44 C43 C45 109.7(12) . . ?
O15 C43 H43 109.4 . . ?
C44 C43 H43 109.4 . . ?
C45 C43 H43 109.4 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C48 C46 O16 108.1(10) . . ?
C48 C46 C47 110.4(11) . . ?
O16 C46 C47 111.7(10) . . ?
C48 C46 H46 108.9 . . ?
O16 C46 H46 108.9 . . ?
C47 C46 H46 108.9 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
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 . . ?
C50 C49 C51 112.5(11) . . ?
C50 C49 O17 105.7(11) . . ?
C51 C49 O17 105.7(12) . . ?
C50 C49 H49 110.9 . . ?
C51 C49 H49 110.9 . . ?
O17 C49 H49 110.9 . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
O18 C52 C53 107.8(9) . . ?
O18 C52 C54 106.7(9) . . ?
C53 C52 C54 111.6(10) . . ?
O18 C52 H52 110.2 . . ?
C53 C52 H52 110.2 . . ?
C54 C52 H52 110.2 . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C52 C54 H54A 109.5 . . ?
C52 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C52 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
Cu13 Cu1 Cu7 125.2(2) . . ?
Cu13 Cu1 Cu6 124.2(3) . . ?
Cu7 Cu1 Cu6 95.26(14) . . ?
Cu13 Cu1 Cu5 117.3(2) . . ?
Cu7 Cu1 Cu5 96.58(15) . . ?
Cu6 Cu1 Cu5 90.07(19) . . ?
Cu13 Cu1 S8 62.6(2) . . ?
Cu7 Cu1 S8 147.73(10) . . ?
Cu6 Cu1 S8 104.17(10) . . ?
Cu5 Cu1 S8 58.51(12) . . ?
Cu13 Cu1 S9 68.0(2) . . ?
Cu7 Cu1 S9 62.12(11) . . ?
Cu6 Cu1 S9 153.79(11) . . ?
Cu5 Cu1 S9 104.78(14) . . ?
S8 Cu1 S9 102.01(8) . . ?
Cu13 Cu1 S3 65.2(2) . . ?
Cu7 Cu1 S3 105.30(9) . . ?
Cu6 Cu1 S3 68.28(15) . . ?
Cu5 Cu1 S3 150.19(14) . . ?
S8 Cu1 S3 105.74(8) . . ?
S9 Cu1 S3 103.28(8) . . ?
Cu13 Cu1 Cu10 109.2(2) . . ?
Cu7 Cu1 Cu10 103.21(11) . . ?
Cu6 Cu1 Cu10 15.69(13) . . ?
Cu5 Cu1 Cu10 102.38(15) . . ?
S8 Cu1 Cu10 102.18(7) . . ?
S9 Cu1 Cu10 150.35(7) . . ?
S3 Cu1 Cu10 53.38(6) . . ?
Cu13 Cu1 Cu11 113.4(2) . . ?
Cu7 Cu1 Cu11 11.80(11) . . ?
Cu6 Cu1 Cu11 103.96(10) . . ?
Cu5 Cu1 Cu11 104.25(13) . . ?
S8 Cu1 Cu11 146.77(7) . . ?
S9 Cu1 Cu11 51.88(6) . . ?
S3 Cu1 Cu11 100.85(6) . . ?
Cu10 Cu1 Cu11 109.63(7) . . ?
Cu13 Cu1 H1M 174(3) . . ?
Cu7 Cu1 H1M 60(3) . . ?
Cu6 Cu1 H1M 56(3) . . ?
Cu5 Cu1 H1M 57(3) . . ?
S8 Cu1 H1M 111(3) . . ?
S9 Cu1 H1M 115(3) . . ?
S3 Cu1 H1M 118(3) . . ?
Cu10 Cu1 H1M 71(3) . . ?
Cu11 Cu1 H1M 72(3) . . ?
Cu14 Cu2 Cu8 162.1(7) . . ?
Cu14 Cu2 Cu12 148.7(8) . . ?
Cu8 Cu2 Cu12 17.9(3) . . ?
Cu14 Cu2 Cu6 74.2(9) . . ?
Cu8 Cu2 Cu6 101.06(17) . . ?
Cu12 Cu2 Cu6 112.1(2) . . ?
Cu14 Cu2 Cu5 92.1(7) . . ?
Cu8 Cu2 Cu5 105.3(2) . . ?
Cu12 Cu2 Cu5 117.8(3) . . ?
Cu6 Cu2 Cu5 90.43(15) . . ?
Cu14 Cu2 S12 81.5(7) . . ?
Cu8 Cu2 S12 82.72(18) . . ?
Cu12 Cu2 S12 67.2(2) . . ?
Cu6 Cu2 S12 102.35(12) . . ?
Cu5 Cu2 S12 163.46(14) . . ?
Cu14 Cu2 S1 77.6(8) . . ?
Cu8 Cu2 S1 115.46(15) . . ?
Cu12 Cu2 S1 110.3(2) . . ?
Cu6 Cu2 S1 134.99(11) . . ?
Cu5 Cu2 S1 56.22(12) . . ?
S12 Cu2 S1 107.35(9) . . ?
Cu14 Cu2 Cu3 148.2(7) . . ?
Cu8 Cu2 Cu3 49.00(16) . . ?
Cu12 Cu2 Cu3 62.9(2) . . ?
Cu6 Cu2 Cu3 99.77(11) . . ?
Cu5 Cu2 Cu3 56.32(12) . . ?
S12 Cu2 Cu3 129.88(11) . . ?
S1 Cu2 Cu3 86.40(6) . . ?
Cu14 Cu2 H1M 120(4) . . ?
Cu8 Cu2 H1M 68(4) . . ?
Cu12 Cu2 H1M 86(4) . . ?
Cu6 Cu2 H1M 57(3) . . ?
Cu5 Cu2 H1M 58(3) . . ?
S12 Cu2 H1M 138(3) . . ?
S1 Cu2 H1M 112(3) . . ?
Cu3 Cu2 H1M 43(3) . . ?
Cu16 Cu3 Cu8 142.9(4) . . ?
Cu16 Cu3 Cu7 123.7(4) . . ?
Cu8 Cu3 Cu7 89.35(15) . . ?
Cu16 Cu3 S2 76.9(3) . . ?
Cu8 Cu3 S2 66.30(12) . . ?
Cu7 Cu3 S2 150.09(12) . . ?
Cu16 Cu3 S6 71.4(3) . . ?
Cu8 Cu3 S6 116.55(14) . . ?
Cu7 Cu3 S6 64.39(12) . . ?
S2 Cu3 S6 109.98(9) . . ?
Cu16 Cu3 Cu5 112.1(3) . . ?
Cu8 Cu3 Cu5 81.13(19) . . ?
Cu7 Cu3 Cu5 90.10(15) . . ?
S2 Cu3 Cu5 102.28(13) . . ?
S6 Cu3 Cu5 147.29(14) . . ?
Cu16 Cu3 S10 57.6(3) . . ?
Cu8 Cu3 S10 137.91(15) . . ?
Cu7 Cu3 S10 102.07(10) . . ?
S2 Cu3 S10 107.65(9) . . ?
S6 Cu3 S10 104.77(9) . . ?
Cu5 Cu3 S10 58.79(13) . . ?
Cu16 Cu3 Cu12 127.1(4) . . ?
Cu8 Cu3 Cu12 17.8(2) . . ?
Cu7 Cu3 Cu12 98.9(2) . . ?
S2 Cu3 Cu12 53.2(2) . . ?
S6 Cu3 Cu12 107.4(2) . . ?
Cu5 Cu3 Cu12 96.1(2) . . ?
S10 Cu3 Cu12 146.8(2) . . ?
Cu16 Cu3 Cu11 110.2(3) . . ?
Cu8 Cu3 Cu11 100.13(12) . . ?
Cu7 Cu3 Cu11 14.56(10) . . ?
S2 Cu3 Cu11 150.31(9) . . ?
S6 Cu3 Cu11 50.65(6) . . ?
Cu5 Cu3 Cu11 101.34(12) . . ?
S10 Cu3 Cu11 99.88(7) . . ?
Cu12 Cu3 Cu11 106.59(19) . . ?
Cu16 Cu3 H1M 164(3) . . ?
Cu8 Cu3 H1M 49(3) . . ?
Cu7 Cu3 H1M 55(3) . . ?
S2 Cu3 H1M 111(3) . . ?
S6 Cu3 H1M 116(3) . . ?
Cu5 Cu3 H1M 53(3) . . ?
S10 Cu3 H1M 106(3) . . ?
Cu12 Cu3 H1M 66(3) . . ?
Cu11 Cu3 H1M 70(3) . . ?
Cu15 Cu4 Cu8 145.5(3) . . ?
Cu15 Cu4 Cu7 117.4(3) . . ?
Cu8 Cu4 Cu7 87.79(14) . . ?
Cu15 Cu4 Cu6 125.1(3) . . ?
Cu8 Cu4 Cu6 76.19(19) . . ?
Cu7 Cu4 Cu6 86.84(14) . . ?
Cu15 Cu4 S5 74.3(2) . . ?
Cu8 Cu4 S5 76.44(15) . . ?
Cu7 Cu4 S5 105.40(10) . . ?
Cu6 Cu4 S5 149.45(14) . . ?
Cu15 Cu4 S11 70.1(2) . . ?
Cu8 Cu4 S11 104.45(12) . . ?
Cu7 Cu4 S11 143.44(11) . . ?
Cu6 Cu4 S11 63.81(12) . . ?
S5 Cu4 S11 110.91(9) . . ?
Cu15 Cu4 S4 58.9(3) . . ?
Cu8 Cu4 S4 147.78(12) . . ?
Cu7 Cu4 S4 60.83(11) . . ?
Cu6 Cu4 S4 106.88(12) . . ?
S5 Cu4 S4 103.50(9) . . ?
S11 Cu4 S4 105.45(9) . . ?
Cu15 Cu4 Cu12 126.9(4) . . ?
Cu8 Cu4 Cu12 18.8(2) . . ?
Cu7 Cu4 Cu12 99.3(2) . . ?
Cu6 Cu4 Cu12 91.7(3) . . ?
S5 Cu4 Cu12 59.1(2) . . ?
S11 Cu4 Cu12 102.65(19) . . ?
S4 Cu4 Cu12 151.03(19) . . ?
Cu15 Cu4 Cu10 109.3(3) . . ?
Cu8 Cu4 Cu10 89.46(14) . . ?
Cu7 Cu4 Cu10 95.99(11) . . ?
Cu6 Cu4 Cu10 15.84(12) . . ?
S5 Cu4 Cu10 153.68(9) . . ?
S11 Cu4 Cu10 50.81(6) . . ?
S4 Cu4 Cu10 100.23(8) . . ?
Cu12 Cu4 Cu10 102.9(2) . . ?
Cu15 Cu4 H1M 167(3) . . ?
Cu8 Cu4 H1M 47(3) . . ?
Cu7 Cu4 H1M 54(3) . . ?
Cu6 Cu4 H1M 50(3) . . ?
S5 Cu4 H1M 116(3) . . ?
S11 Cu4 H1M 111(3) . . ?
S4 Cu4 H1M 109(3) . . ?
Cu12 Cu4 H1M 66(3) . . ?
Cu10 Cu4 H1M 66(3) . . ?
Cu9 Cu5 S8 77.3(6) . . ?
Cu9 Cu5 Cu2 140.7(7) . . ?
S8 Cu5 Cu2 115.8(2) . . ?
Cu9 Cu5 Cu1 132.8(7) . . ?
S8 Cu5 Cu1 62.48(13) . . ?
Cu2 Cu5 Cu1 82.08(16) . . ?
Cu9 Cu5 S1 72.5(6) . . ?
S8 Cu5 S1 117.83(19) . . ?
Cu2 Cu5 S1 68.69(15) . . ?
Cu1 Cu5 S1 147.6(3) . . ?
Cu9 Cu5 S10 67.5(6) . . ?
S8 Cu5 S10 108.8(2) . . ?
Cu2 Cu5 S10 130.9(2) . . ?
Cu1 Cu5 S10 101.94(18) . . ?
S1 Cu5 S10 107.63(19) . . ?
Cu9 Cu5 Cu14 132.4(7) . . ?
S8 Cu5 Cu14 103.6(2) . . ?
Cu2 Cu5 Cu14 15.16(15) . . ?
Cu1 Cu5 Cu14 82.9(3) . . ?
S1 Cu5 Cu14 65.2(3) . . ?
S10 Cu5 Cu14 145.7(3) . . ?
Cu9 Cu5 Cu3 123.5(7) . . ?
S8 Cu5 Cu3 140.3(2) . . ?
Cu2 Cu5 Cu3 71.40(14) . . ?
Cu1 Cu5 Cu3 81.31(14) . . ?
S1 Cu5 Cu3 101.39(18) . . ?
S10 Cu5 Cu3 61.25(13) . . ?
Cu14 Cu5 Cu3 86.5(2) . . ?
Cu9 Cu5 Cu16 109.3(7) . . ?
S8 Cu5 Cu16 142.5(2) . . ?
Cu2 Cu5 Cu16 83.07(16) . . ?
Cu1 Cu5 Cu16 90.85(16) . . ?
S1 Cu5 Cu16 98.92(18) . . ?
S10 Cu5 Cu16 48.30(12) . . ?
Cu14 Cu5 Cu16 98.2(2) . . ?
Cu3 Cu5 Cu16 14.25(7) . . ?
Cu9 Cu5 H1M 173(3) . . ?
S8 Cu5 H1M 106(3) . . ?
Cu2 Cu5 H1M 43(3) . . ?
Cu1 Cu5 H1M 47(3) . . ?
S1 Cu5 H1M 110(3) . . ?
S10 Cu5 H1M 106(3) . . ?
Cu14 Cu5 H1M 53(3) . . ?
Cu3 Cu5 H1M 51(3) . . ?
Cu16 Cu5 H1M 65(3) . . ?
Cu10 Cu6 Cu14 129.5(4) . . ?
Cu10 Cu6 Cu2 143.7(3) . . ?
Cu14 Cu6 Cu2 17.31(18) . . ?
Cu10 Cu6 Cu1 120.5(4) . . ?
Cu14 Cu6 Cu1 97.4(3) . . ?
Cu2 Cu6 Cu1 91.20(19) . . ?
Cu10 Cu6 Cu4 115.9(3) . . ?
Cu14 Cu6 Cu4 95.6(3) . . ?
Cu2 Cu6 Cu4 79.27(15) . . ?
Cu1 Cu6 Cu4 88.29(13) . . ?
Cu10 Cu6 S7 73.9(2) . . ?
Cu14 Cu6 S7 62.8(2) . . ?
Cu2 Cu6 S7 80.12(15) . . ?
Cu1 Cu6 S7 107.79(14) . . ?
Cu4 Cu6 S7 154.0(2) . . ?
Cu10 Cu6 S11 63.9(3) . . ?
Cu14 Cu6 S11 107.6(2) . . ?
Cu2 Cu6 S11 103.72(14) . . ?
Cu1 Cu6 S11 140.62(16) . . ?
Cu4 Cu6 S11 59.95(9) . . ?
S7 Cu6 S11 110.56(15) . . ?
Cu10 Cu6 S3 61.3(3) . . ?
Cu14 Cu6 S3 153.0(2) . . ?
Cu2 Cu6 S3 152.55(18) . . ?
Cu1 Cu6 S3 61.40(10) . . ?
Cu4 Cu6 S3 100.00(14) . . ?
S7 Cu6 S3 105.57(15) . . ?
S11 Cu6 S3 99.31(18) . . ?
Cu10 Cu6 Cu13 105.7(3) . . ?
Cu14 Cu6 Cu13 106.5(3) . . ?
Cu2 Cu6 Cu13 103.58(18) . . ?
Cu1 Cu6 Cu13 15.56(7) . . ?
Cu4 Cu6 Cu13 99.75(13) . . ?
S7 Cu6 Cu13 100.31(13) . . ?
S11 Cu6 Cu13 141.60(18) . . ?
S3 Cu6 Cu13 49.19(9) . . ?
Cu10 Cu6 H1M 168(3) . . ?
Cu14 Cu6 H1M 62(3) . . ?
Cu2 Cu6 H1M 48(3) . . ?
Cu1 Cu6 H1M 52(3) . . ?
Cu4 Cu6 H1M 58(3) . . ?
S7 Cu6 H1M 116(3) . . ?
S11 Cu6 H1M 115(3) . . ?
S3 Cu6 H1M 108(3) . . ?
Cu13 Cu6 H1M 67(3) . . ?
Cu11 Cu7 Cu1 135.0(3) . . ?
Cu11 Cu7 Cu3 119.7(3) . . ?
Cu1 Cu7 Cu3 91.56(16) . . ?
Cu11 Cu7 Cu4 121.0(3) . . ?
Cu1 Cu7 Cu4 89.53(16) . . ?
Cu3 Cu7 Cu4 87.27(15) . . ?
Cu11 Cu7 S9 73.6(3) . . ?
Cu1 Cu7 S9 65.96(10) . . ?
Cu3 Cu7 S9 107.72(12) . . ?
Cu4 Cu7 S9 151.00(16) . . ?
Cu11 Cu7 S4 66.5(3) . . ?
Cu1 Cu7 S4 107.15(12) . . ?
Cu3 Cu7 S4 144.69(15) . . ?
Cu4 Cu7 S4 63.86(9) . . ?
S9 Cu7 S4 107.23(15) . . ?
Cu11 Cu7 S6 61.8(3) . . ?
Cu1 Cu7 S6 147.99(15) . . ?
Cu3 Cu7 S6 60.29(9) . . ?
Cu4 Cu7 S6 102.93(12) . . ?
S9 Cu7 S6 106.06(15) . . ?
S4 Cu7 S6 104.80(14) . . ?
Cu11 Cu7 Cu13 119.4(3) . . ?
Cu1 Cu7 Cu13 15.53(7) . . ?
Cu3 Cu7 Cu13 102.58(16) . . ?
Cu4 Cu7 Cu13 100.83(16) . . ?
S9 Cu7 Cu13 52.39(10) . . ?
S4 Cu7 Cu13 102.50(12) . . ?
S6 Cu7 Cu13 149.64(13) . . ?
Cu11 Cu7 Cu16 107.5(3) . . ?
Cu1 Cu7 Cu16 98.49(16) . . ?
Cu3 Cu7 Cu16 13.20(8) . . ?
Cu4 Cu7 Cu16 98.50(16) . . ?
S9 Cu7 Cu16 100.22(12) . . ?
S4 Cu7 Cu16 148.16(15) . . ?
S6 Cu7 Cu16 50.94(10) . . ?
Cu13 Cu7 Cu16 106.98(15) . . ?
Cu11 Cu7 H1M 173(3) . . ?
Cu1 Cu7 H1M 51(3) . . ?
Cu3 Cu7 H1M 55(3) . . ?
Cu4 Cu7 H1M 57(3) . . ?
S9 Cu7 H1M 111(3) . . ?
S4 Cu7 H1M 116(3) . . ?
S6 Cu7 H1M 112(3) . . ?
Cu13 Cu7 H1M 67(3) . . ?
Cu16 Cu7 H1M 67(3) . . ?
Cu12 Cu8 Cu2 132.7(7) . . ?
Cu12 Cu8 Cu14 129.4(8) . . ?
Cu2 Cu8 Cu14 5.6(2) . . ?
Cu12 Cu8 Cu3 112.4(7) . . ?
Cu2 Cu8 Cu3 102.2(2) . . ?
Cu14 Cu8 Cu3 107.6(3) . . ?
Cu12 Cu8 Cu4 106.4(7) . . ?
Cu2 Cu8 Cu4 103.4(2) . . ?
Cu14 Cu8 Cu4 101.5(3) . . ?
Cu3 Cu8 Cu4 92.26(15) . . ?
Cu12 Cu8 S2 64.2(6) . . ?
Cu2 Cu8 S2 111.33(19) . . ?
Cu14 Cu8 S2 115.0(3) . . ?
Cu3 Cu8 S2 60.42(10) . . ?
Cu4 Cu8 S2 139.1(2) . . ?
Cu12 Cu8 S12 71.5(6) . . ?
Cu2 Cu8 S12 66.18(17) . . ?
Cu14 Cu8 S12 61.3(3) . . ?
Cu3 Cu8 S12 161.88(19) . . ?
Cu4 Cu8 S12 103.73(13) . . ?
S2 Cu8 S12 109.48(15) . . ?
Cu12 Cu8 Cu6 143.0(7) . . ?
Cu2 Cu8 Cu6 49.61(15) . . ?
Cu14 Cu8 Cu6 48.1(3) . . ?
Cu3 Cu8 Cu6 100.39(18) . . ?
Cu4 Cu8 Cu6 53.84(12) . . ?
S2 Cu8 Cu6 152.2(2) . . ?
S12 Cu8 Cu6 82.76(14) . . ?
Cu12 Cu8 H1M 164(3) . . ?
Cu2 Cu8 H1M 63(3) . . ?
Cu14 Cu8 H1M 66(3) . . ?
Cu3 Cu8 H1M 59(3) . . ?
Cu4 Cu8 H1M 63(3) . . ?
S2 Cu8 H1M 115(3) . . ?
S12 Cu8 H1M 121(3) . . ?
Cu6 Cu8 H1M 41(3) . . ?
Cu5 Cu9 S1 92.8(6) . . ?
Cu5 Cu9 S10 98.3(6) . . ?
S1 Cu9 S10 117.50(12) . . ?
Cu5 Cu9 S8 87.8(6) . . ?
S1 Cu9 S8 124.98(11) . . ?
S10 Cu9 S8 116.79(11) . . ?
Cu5 Cu9 Cu1 38.1(6) . . ?
S1 Cu9 Cu1 127.01(9) . . ?
S10 Cu9 Cu1 93.79(8) . . ?
S8 Cu9 Cu1 56.13(7) . . ?
Cu5 Cu9 Cu2 31.6(6) . . ?
S1 Cu9 Cu2 61.70(7) . . ?
S10 Cu9 Cu2 116.18(9) . . ?
S8 Cu9 Cu2 101.03(8) . . ?
Cu1 Cu9 Cu2 66.36(5) . . ?
Cu5 Cu9 Cu3 46.3(6) . . ?
S1 Cu9 Cu3 93.59(9) . . ?
S10 Cu9 Cu3 57.12(8) . . ?
S8 Cu9 Cu3 123.27(9) . . ?
Cu1 Cu9 Cu3 67.65(6) . . ?
Cu2 Cu9 Cu3 59.27(6) . . ?
Cu5 Cu9 Cu14 38.8(7) . . ?
S1 Cu9 Cu14 59.1(2) . . ?
S10 Cu9 Cu14 128.97(17) . . ?
S8 Cu9 Cu14 92.57(16) . . ?
Cu1 Cu9 Cu14 68.0(2) . . ?
Cu2 Cu9 Cu14 12.81(12) . . ?
Cu3 Cu9 Cu14 71.96(16) . . ?
Cu6 Cu10 S11 96.4(3) . . ?
Cu6 Cu10 S7 85.4(3) . . ?
S11 Cu10 S7 123.53(11) . . ?
Cu6 Cu10 S3 100.1(3) . . ?
S11 Cu10 S3 116.34(10) . . ?
S7 Cu10 S3 118.79(10) . . ?
Cu6 Cu10 Cu1 43.8(3) . . ?
S11 Cu10 Cu1 124.70(10) . . ?
S7 Cu10 Cu1 94.54(8) . . ?
S3 Cu10 Cu1 58.34(7) . . ?
Cu6 Cu10 Cu14 36.5(3) . . ?
S11 Cu10 Cu14 96.27(16) . . ?
S7 Cu10 Cu14 55.21(18) . . ?
S3 Cu10 Cu14 130.35(18) . . ?
Cu1 Cu10 Cu14 72.52(17) . . ?
Cu6 Cu10 Cu4 48.3(3) . . ?
S11 Cu10 Cu4 55.83(7) . . ?
S7 Cu10 Cu4 128.02(10) . . ?
S3 Cu10 Cu4 94.77(8) . . ?
Cu1 Cu10 Cu4 69.35(7) . . ?
Cu14 Cu10 Cu4 72.84(17) . . ?
Cu6 Cu10 Cu2 26.3(3) . . ?
S11 Cu10 Cu2 90.18(8) . . ?
S7 Cu10 Cu2 67.74(8) . . ?
S3 Cu10 Cu2 125.29(9) . . ?
Cu1 Cu10 Cu2 67.14(6) . . ?
Cu14 Cu10 Cu2 12.65(16) . . ?
Cu4 Cu10 Cu2 60.41(6) . . ?
Cu7 Cu11 S6 99.8(3) . . ?
Cu7 Cu11 S4 94.6(3) . . ?
S6 Cu11 S4 121.70(10) . . ?
Cu7 Cu11 S9 87.1(3) . . ?
S6 Cu11 S9 119.09(9) . . ?
S4 Cu11 S9 117.82(10) . . ?
Cu7 Cu11 Cu3 45.7(2) . . ?
S6 Cu11 Cu3 56.38(7) . . ?
S4 Cu11 Cu3 127.60(10) . . ?
S9 Cu11 Cu3 96.03(7) . . ?
Cu7 Cu11 Cu1 33.2(3) . . ?
S6 Cu11 Cu1 125.98(8) . . ?
S4 Cu11 Cu1 94.48(7) . . ?
S9 Cu11 Cu1 57.81(6) . . ?
Cu3 Cu11 Cu1 69.95(6) . . ?
Cu7 Cu11 Cu4 44.9(2) . . ?
S6 Cu11 Cu4 95.89(8) . . ?
S4 Cu11 Cu4 58.57(7) . . ?
S9 Cu11 Cu4 126.06(8) . . ?
Cu3 Cu11 Cu4 69.30(7) . . ?
Cu1 Cu11 Cu4 68.57(6) . . ?
Cu7 Cu11 Cu15 58.7(3) . . ?
S6 Cu11 Cu15 97.92(9) . . ?
S4 Cu11 Cu15 45.81(8) . . ?
S9 Cu11 Cu15 133.96(9) . . ?
Cu3 Cu11 Cu15 81.81(9) . . ?
Cu1 Cu11 Cu15 78.92(8) . . ?
Cu4 Cu11 Cu15 14.34(5) . . ?
Cu8 Cu12 Cu2 29.5(5) . . ?
Cu8 Cu12 S2 95.5(7) . . ?
Cu2 Cu12 S2 97.7(4) . . ?
Cu8 Cu12 S5 107.3(7) . . ?
Cu2 Cu12 S5 131.2(4) . . ?
S2 Cu12 S5 112.6(3) . . ?
Cu8 Cu12 S12 89.5(7) . . ?
Cu2 Cu12 S12 63.7(2) . . ?
S2 Cu12 S12 123.4(3) . . ?
S5 Cu12 S12 119.3(3) . . ?
Cu8 Cu12 Cu4 54.8(6) . . ?
Cu2 Cu12 Cu4 74.9(3) . . ?
S2 Cu12 Cu4 130.6(4) . . ?
S5 Cu12 Cu4 56.31(18) . . ?
S12 Cu12 Cu4 97.3(3) . . ?
Cu8 Cu12 Cu3 49.9(6) . . ?
Cu2 Cu12 Cu3 72.4(3) . . ?
S2 Cu12 Cu3 57.2(2) . . ?
S5 Cu12 Cu3 92.4(3) . . ?
S12 Cu12 Cu3 135.9(4) . . ?
Cu4 Cu12 Cu3 74.4(3) . . ?
Cu8 Cu12 Cu14 35.9(6) . . ?
Cu2 Cu12 Cu14 7.25(19) . . ?
S2 Cu12 Cu14 101.5(4) . . ?
S5 Cu12 Cu14 133.1(4) . . ?
S12 Cu12 Cu14 56.4(3) . . ?
Cu4 Cu12 Cu14 77.2(4) . . ?
Cu3 Cu12 Cu14 79.6(3) . . ?
Cu1 Cu13 S8 95.8(2) . . ?
Cu1 Cu13 S3 93.5(2) . . ?
S8 Cu13 S3 124.43(15) . . ?
Cu1 Cu13 S9 90.6(2) . . ?
S8 Cu13 S9 117.26(14) . . ?
S3 Cu13 S9 117.26(13) . . ?
Cu1 Cu13 Cu7 39.3(2) . . ?
S8 Cu13 Cu7 125.65(17) . . ?
S3 Cu13 Cu7 93.79(12) . . ?
S9 Cu13 Cu7 55.78(12) . . ?
Cu1 Cu13 Cu6 40.2(2) . . ?
S8 Cu13 Cu6 93.77(14) . . ?
S3 Cu13 Cu6 61.72(14) . . ?
S9 Cu13 Cu6 125.94(16) . . ?
Cu7 Cu13 Cu6 70.17(14) . . ?
Cu1 Cu13 Cu5 46.6(2) . . ?
S8 Cu13 Cu5 53.01(12) . . ?
S3 Cu13 Cu5 130.47(18) . . ?
S9 Cu13 Cu5 94.65(15) . . ?
Cu7 Cu13 Cu5 73.05(15) . . ?
Cu6 Cu13 Cu5 68.96(17) . . ?
Cu2 Cu14 Cu8 12.3(5) . . ?
Cu2 Cu14 Cu6 88.5(10) . . ?
Cu8 Cu14 Cu6 85.8(4) . . ?
Cu2 Cu14 S7 153.2(12) . . ?
Cu8 Cu14 S7 149.8(5) . . ?
Cu6 Cu14 S7 65.0(2) . . ?
Cu2 Cu14 S12 83.4(7) . . ?
Cu8 Cu14 S12 72.7(2) . . ?
Cu6 Cu14 S12 105.2(3) . . ?
S7 Cu14 S12 106.4(3) . . ?
Cu2 Cu14 Cu5 72.7(7) . . ?
Cu8 Cu14 Cu5 84.7(3) . . ?
Cu6 Cu14 Cu5 89.4(4) . . ?
S7 Cu14 Cu5 101.6(3) . . ?
S12 Cu14 Cu5 151.7(3) . . ?
Cu2 Cu14 S1 88.5(7) . . ?
Cu8 Cu14 S1 97.7(3) . . ?
Cu6 Cu14 S1 144.4(4) . . ?
S7 Cu14 S1 110.5(3) . . ?
S12 Cu14 S1 109.6(4) . . ?
Cu5 Cu14 S1 55.98(18) . . ?
Cu2 Cu14 Cu12 24.0(6) . . ?
Cu8 Cu14 Cu12 14.6(2) . . ?
Cu6 Cu14 Cu12 95.3(4) . . ?
S7 Cu14 Cu12 153.2(4) . . ?
S12 Cu14 Cu12 59.4(2) . . ?
Cu5 Cu14 Cu12 95.9(3) . . ?
S1 Cu14 Cu12 96.1(3) . . ?
Cu2 Cu14 H1M 45(3) . . ?
Cu8 Cu14 H1M 50(3) . . ?
Cu6 Cu14 H1M 54(3) . . ?
S7 Cu14 H1M 111(3) . . ?
S12 Cu14 H1M 117(3) . . ?
Cu5 Cu14 H1M 53(3) . . ?
S1 Cu14 H1M 102(3) . . ?
Cu12 Cu14 H1M 65(3) . . ?
Cu4 Cu15 S4 103.4(3) . . ?
Cu4 Cu15 S11 90.9(3) . . ?
S4 Cu15 S11 122.09(14) . . ?
Cu4 Cu15 S5 86.4(3) . . ?
S4 Cu15 S5 117.01(13) . . ?
S11 Cu15 S5 119.72(15) . . ?
Cu4 Cu15 Cu7 47.9(2) . . ?
S4 Cu15 Cu7 57.76(12) . . ?
S11 Cu15 Cu7 125.81(16) . . ?
S5 Cu15 Cu7 94.59(12) . . ?
Cu4 Cu15 Cu6 41.8(2) . . ?
S4 Cu15 Cu6 99.57(13) . . ?
S11 Cu15 Cu6 57.25(11) . . ?
S5 Cu15 Cu6 123.28(17) . . ?
Cu7 Cu15 Cu6 69.09(14) . . ?
Cu4 Cu15 Cu8 25.6(2) . . ?
S4 Cu15 Cu8 124.98(15) . . ?
S11 Cu15 Cu8 89.34(14) . . ?
S5 Cu15 Cu8 65.27(13) . . ?
Cu7 Cu15 Cu8 67.22(13) . . ?
Cu6 Cu15 Cu8 58.26(16) . . ?
Cu4 Cu15 Cu11 61.7(2) . . ?
S4 Cu15 Cu11 46.82(8) . . ?
S11 Cu15 Cu11 137.01(14) . . ?
S5 Cu15 Cu11 92.61(10) . . ?
Cu7 Cu15 Cu11 14.27(8) . . ?
Cu6 Cu15 Cu11 81.97(11) . . ?
Cu8 Cu15 Cu11 78.86(11) . . ?
Cu3 Cu16 S10 105.6(4) . . ?
Cu3 Cu16 S6 90.2(3) . . ?
S10 Cu16 S6 120.84(18) . . ?
Cu3 Cu16 S2 84.5(3) . . ?
S10 Cu16 S2 121.42(17) . . ?
S6 Cu16 S2 116.55(16) . . ?
Cu3 Cu16 Cu7 43.2(3) . . ?
S10 Cu16 Cu7 96.48(15) . . ?
S6 Cu16 Cu7 58.29(13) . . ?
S2 Cu16 Cu7 123.55(18) . . ?
Cu3 Cu16 Cu8 27.8(3) . . ?
S10 Cu16 Cu8 120.95(18) . . ?
S6 Cu16 Cu8 99.20(16) . . ?
S2 Cu16 Cu8 56.99(12) . . ?
Cu7 Cu16 Cu8 68.15(14) . . ?
Cu3 Cu16 Cu5 53.7(3) . . ?
S10 Cu16 Cu5 56.25(14) . . ?
S6 Cu16 Cu5 131.60(19) . . ?
S2 Cu16 Cu5 93.25(16) . . ?
Cu7 Cu16 Cu5 73.61(15) . . ?
Cu8 Cu16 Cu5 64.77(17) . . ?
Cu3 Cu16 Cu11 56.5(3) . . ?
S10 Cu16 Cu11 97.71(14) . . ?
S6 Cu16 Cu11 45.88(9) . . ?
S2 Cu16 Cu11 131.72(16) . . ?
Cu7 Cu16 Cu11 14.20(8) . . ?
Cu8 Cu16 Cu11 79.74(12) . . ?
Cu5 Cu16 Cu11 85.73(14) . . ?
Cu21 Cu17 Cu18 145.8(3) . 3_556 ?
Cu21 Cu17 Cu20 115.7(3) . 3_556 ?
Cu18 Cu17 Cu20 91.96(13) 3_556 3_556 ?
Cu21 Cu17 S16 81.6(3) . . ?
Cu18 Cu17 S16 69.65(12) 3_556 . ?
Cu20 Cu17 S16 110.02(11) 3_556 . ?
Cu21 Cu17 Cu19 115.3(3) . . ?
Cu18 Cu17 Cu19 88.80(13) 3_556 . ?
Cu20 Cu17 Cu19 77.83(11) 3_556 . ?
S16 Cu17 Cu19 156.92(16) . . ?
Cu21 Cu17 Cu22 126.5(4) . 3_556 ?
Cu18 Cu17 Cu22 19.35(19) 3_556 3_556 ?
Cu20 Cu17 Cu22 106.6(2) 3_556 3_556 ?
S16 Cu17 Cu22 53.2(2) . 3_556 ?
Cu19 Cu17 Cu22 104.0(2) . 3_556 ?
Cu21 Cu17 S18 63.2(2) . . ?
Cu18 Cu17 S18 111.41(12) 3_556 . ?
Cu20 Cu17 S18 135.47(12) 3_556 . ?
S16 Cu17 S18 113.49(11) . . ?
Cu19 Cu17 S18 65.89(10) . . ?
Cu22 Cu17 S18 106.55(19) 3_556 . ?
Cu21 Cu17 S13 56.8(3) . . ?
Cu18 Cu17 S13 149.53(13) 3_556 . ?
Cu20 Cu17 S13 59.61(9) 3_556 . ?
S16 Cu17 S13 107.82(12) . . ?
Cu19 Cu17 S13 94.92(10) . . ?
Cu22 Cu17 S13 153.80(19) 3_556 . ?
S18 Cu17 S13 97.58(11) . . ?
Cu21 Cu17 Cu23 101.4(3) . . ?
Cu18 Cu17 Cu23 97.68(13) 3_556 . ?
Cu20 Cu17 Cu23 90.91(10) 3_556 . ?
S16 Cu17 Cu23 155.37(12) . . ?
Cu19 Cu17 Cu23 16.06(6) . . ?
Cu22 Cu17 Cu23 109.4(2) 3_556 . ?
S18 Cu17 Cu23 50.10(7) . . ?
S13 Cu17 Cu23 93.75(10) . . ?
Cu21 Cu17 Cu24 102.7(3) . . ?
Cu18 Cu17 Cu24 101.16(12) 3_556 . ?
Cu20 Cu17 Cu24 14.94(7) 3_556 . ?
S16 Cu17 Cu24 102.00(10) . . ?
Cu19 Cu17 Cu24 89.87(11) . . ?
Cu22 Cu17 Cu24 112.5(2) 3_556 . ?
S18 Cu17 Cu24 138.05(12) . . ?
S13 Cu17 Cu24 48.75(8) . . ?
Cu23 Cu17 Cu24 101.16(9) . . ?
Cu21 Cu17 Cu19 150.2(3) . 3_556 ?
Cu18 Cu17 Cu19 42.09(9) 3_556 3_556 ?
Cu20 Cu17 Cu19 51.12(8) 3_556 3_556 ?
S16 Cu17 Cu19 80.03(10) . 3_556 ?
Cu19 Cu17 Cu19 89.54(12) . 3_556 ?
Cu22 Cu17 Cu19 55.5(2) 3_556 3_556 ?
S18 Cu17 Cu19 146.33(12) . 3_556 ?
S13 Cu17 Cu19 107.60(9) . 3_556 ?
Cu23 Cu17 Cu19 105.11(11) . 3_556 ?
Cu24 Cu17 Cu19 59.08(8) . 3_556 ?
Cu21 Cu17 Cu20 147.7(3) . . ?
Cu18 Cu17 Cu20 40.17(9) 3_556 . ?
Cu20 Cu17 Cu20 90.58(12) 3_556 . ?
S16 Cu17 Cu20 107.77(12) . . ?
Cu19 Cu17 Cu20 49.50(8) . . ?
Cu22 Cu17 Cu20 54.6(2) 3_556 . ?
S18 Cu17 Cu20 85.10(9) . . ?
S13 Cu17 Cu20 139.67(11) . . ?
Cu23 Cu17 Cu20 57.56(7) . . ?
Cu24 Cu17 Cu20 105.22(11) . . ?
Cu19 Cu17 Cu20 61.24(8) 3_556 . ?
Cu21 Cu17 H2M 159.6(4) . . ?
Cu18 Cu17 H2M 54.45(11) 3_556 . ?
Cu20 Cu17 H2M 52.06(8) 3_556 . ?
S16 Cu17 H2M 117.00(14) . . ?
Cu19 Cu17 H2M 49.94(9) . . ?
Cu22 Cu17 H2M 73.8(2) 3_556 . ?
S18 Cu17 H2M 112.13(10) . . ?
S13 Cu17 H2M 106.62(11) . . ?
Cu23 Cu17 H2M 65.60(8) . . ?
Cu24 Cu17 H2M 66.75(8) . . ?
Cu19 Cu17 H2M 39.60(6) 3_556 . ?
Cu20 Cu17 H2M 38.53(7) . . ?
Cu22 Cu18 Cu19 121.0(5) . . ?
Cu22 Cu18 Cu20 122.6(5) . 3_556 ?
Cu19 Cu18 Cu20 100.33(14) . 3_556 ?
Cu22 Cu18 Cu17 113.0(5) . 3_556 ?
Cu19 Cu18 Cu17 95.52(13) . 3_556 ?
Cu20 Cu18 Cu17 99.40(13) 3_556 3_556 ?
Cu22 Cu18 S17 63.3(5) . 3_556 ?
Cu19 Cu18 S17 157.26(13) . 3_556 ?
Cu20 Cu18 S17 63.93(10) 3_556 3_556 ?
Cu17 Cu18 S17 102.98(11) 3_556 3_556 ?
Cu22 Cu18 S16 57.7(5) . 3_556 ?
Cu19 Cu18 S16 99.43(11) . 3_556 ?
Cu20 Cu18 S16 154.53(12) 3_556 3_556 ?
Cu17 Cu18 S16 62.74(10) 3_556 3_556 ?
S17 Cu18 S16 100.75(11) 3_556 3_556 ?
Cu22 Cu18 S14 67.1(5) . . ?
Cu19 Cu18 S14 63.38(9) . . ?
Cu20 Cu18 S14 105.43(11) 3_556 . ?
Cu17 Cu18 S14 149.69(13) 3_556 . ?
S17 Cu18 S14 103.40(11) 3_556 . ?
S16 Cu18 S14 97.72(11) 3_556 . ?
Cu22 Cu18 Cu21 103.6(5) . 3_556 ?
Cu19 Cu18 Cu21 101.81(12) . 3_556 ?
Cu20 Cu18 Cu21 104.83(12) 3_556 3_556 ?
Cu17 Cu18 Cu21 9.40(9) 3_556 3_556 ?
S17 Cu18 Cu21 98.28(9) 3_556 3_556 ?
S16 Cu18 Cu21 55.16(8) 3_556 3_556 ?
S14 Cu18 Cu21 148.25(11) . 3_556 ?
Cu22 Cu18 Cu24 111.0(5) . . ?
Cu19 Cu18 Cu24 107.50(12) . . ?
Cu20 Cu18 Cu24 11.72(8) 3_556 . ?
Cu17 Cu18 Cu24 107.38(12) 3_556 . ?
S17 Cu18 Cu24 54.43(8) 3_556 . ?
S16 Cu18 Cu24 152.30(11) 3_556 . ?
S14 Cu18 Cu24 100.01(10) . . ?
Cu21 Cu18 Cu24 111.47(10) 3_556 . ?
Cu22 Cu18 Cu23 111.6(5) . . ?
Cu19 Cu18 Cu23 9.91(7) . . ?
Cu20 Cu18 Cu23 104.79(12) 3_556 . ?
Cu17 Cu18 Cu23 103.25(11) 3_556 . ?
S17 Cu18 Cu23 152.87(11) 3_556 . ?
S16 Cu18 Cu23 97.32(9) 3_556 . ?
S14 Cu18 Cu23 53.87(8) . . ?
Cu21 Cu18 Cu23 108.66(10) 3_556 . ?
Cu24 Cu18 Cu23 110.32(10) . . ?
Cu22 Cu18 Cu19 144.4(5) . 3_556 ?
Cu19 Cu18 Cu19 93.93(12) . 3_556 ?
Cu20 Cu18 Cu19 48.85(9) 3_556 3_556 ?
Cu17 Cu18 Cu19 51.60(9) 3_556 3_556 ?
S17 Cu18 Cu19 87.43(9) 3_556 3_556 ?
S16 Cu18 Cu19 113.86(10) 3_556 3_556 ?
S14 Cu18 Cu19 144.21(11) . 3_556 ?
Cu21 Cu18 Cu19 58.71(7) 3_556 3_556 ?
Cu24 Cu18 Cu19 58.74(8) . 3_556 ?
Cu23 Cu18 Cu19 103.56(11) . 3_556 ?
Cu22 Cu18 Cu17 152.6(5) . . ?
Cu19 Cu18 Cu17 51.36(9) . . ?
Cu20 Cu18 Cu17 49.75(9) 3_556 . ?
Cu17 Cu18 Cu17 94.42(13) 3_556 . ?
S17 Cu18 Cu17 113.28(10) 3_556 . ?
S16 Cu18 Cu17 142.91(11) 3_556 . ?
S14 Cu18 Cu17 88.67(9) . . ?
Cu21 Cu18 Cu17 103.80(12) 3_556 . ?
Cu24 Cu18 Cu17 58.87(8) . . ?
Cu23 Cu18 Cu17 57.72(7) . . ?
Cu19 Cu18 Cu17 56.05(8) 3_556 . ?
Cu22 Cu18 H2M 173.6(5) . . ?
Cu19 Cu18 H2M 60.46(9) . . ?
Cu20 Cu18 H2M 61.66(10) 3_556 . ?
Cu17 Cu18 H2M 60.76(10) 3_556 . ?
S17 Cu18 H2M 118.08(11) 3_556 . ?
S16 Cu18 H2M 116.32(11) 3_556 . ?
S14 Cu18 H2M 117.37(11) . . ?
Cu21 Cu18 H2M 70.14(9) 3_556 . ?
Cu24 Cu18 H2M 73.36(10) . . ?
Cu23 Cu18 H2M 70.12(8) . . ?
Cu19 Cu18 H2M 33.47(7) 3_556 . ?
Cu17 Cu18 H2M 33.67(7) . . ?
Cu23 Cu19 Cu18 146.1(3) . . ?
Cu23 Cu19 Cu20 117.0(3) . . ?
Cu18 Cu19 Cu20 93.43(13) . . ?
Cu23 Cu19 S14 77.4(2) . . ?
Cu18 Cu19 S14 69.81(11) . . ?
Cu20 Cu19 S14 160.75(14) . . ?
Cu23 Cu19 Cu17 110.1(2) . . ?
Cu18 Cu19 Cu17 89.47(12) . . ?
Cu20 Cu19 Cu17 78.20(11) . . ?
S14 Cu19 Cu17 109.98(11) . . ?
Cu23 Cu19 S15 70.2(2) . . ?
Cu18 Cu19 S15 115.43(13) . . ?
Cu20 Cu19 S15 63.98(9) . . ?
S14 Cu19 S15 113.82(10) . . ?
Cu17 Cu19 S15 134.81(12) . . ?
Cu23 Cu19 Cu22 129.5(3) . . ?
Cu18 Cu19 Cu22 17.42(18) . . ?
Cu20 Cu19 Cu22 105.4(2) . . ?
S14 Cu19 Cu22 56.20(19) . . ?
Cu17 Cu19 Cu22 104.1(2) . . ?
S15 Cu19 Cu22 108.86(19) . . ?
Cu23 Cu19 S18 51.4(2) . . ?
Cu18 Cu19 S18 144.27(12) . . ?
Cu20 Cu19 S18 96.59(10) . . ?
S14 Cu19 S18 102.56(10) . . ?
Cu17 Cu19 S18 59.51(8) . . ?
S15 Cu19 S18 99.74(11) . . ?
Cu22 Cu19 S18 149.41(18) . . ?
Cu23 Cu19 Cu21 97.8(2) . . ?
Cu18 Cu19 Cu21 96.65(12) . . ?
Cu20 Cu19 Cu21 89.96(10) . . ?
S14 Cu19 Cu21 101.03(9) . . ?
Cu17 Cu19 Cu21 14.14(7) . . ?
S15 Cu19 Cu21 138.62(11) . . ?
Cu22 Cu19 Cu21 108.82(19) . . ?
S18 Cu19 Cu21 49.33(7) . . ?
Cu23 Cu19 Cu24 105.3(2) . 3_556 ?
Cu18 Cu19 Cu24 101.88(12) . 3_556 ?
Cu20 Cu19 Cu24 14.64(7) . 3_556 ?
S14 Cu19 Cu24 157.49(11) . 3_556 ?
Cu17 Cu19 Cu24 90.34(11) . 3_556 ?
S15 Cu19 Cu24 49.56(8) . 3_556 ?
Cu22 Cu19 Cu24 110.60(19) . 3_556 ?
S18 Cu19 Cu24 96.00(9) . 3_556 ?
Cu21 Cu19 Cu24 100.70(9) . 3_556 ?
Cu23 Cu19 Cu17 155.2(2) . 3_556 ?
Cu18 Cu19 Cu17 42.39(10) . 3_556 ?
Cu20 Cu19 Cu17 52.32(9) . 3_556 ?
S14 Cu19 Cu17 109.17(12) . 3_556 ?
Cu17 Cu19 Cu17 90.46(11) . 3_556 ?
S15 Cu19 Cu17 85.57(9) . 3_556 ?
Cu22 Cu19 Cu17 53.09(19) . 3_556 ?
S18 Cu19 Cu17 142.44(10) . 3_556 ?
Cu21 Cu19 Cu17 103.97(11) . 3_556 ?
Cu24 Cu19 Cu17 59.49(8) 3_556 3_556 ?
Cu23 Cu19 Cu20 143.5(2) . 3_556 ?
Cu18 Cu19 Cu20 39.84(9) . 3_556 ?
Cu20 Cu19 Cu20 91.05(11) . 3_556 ?
S14 Cu19 Cu20 82.06(9) . 3_556 ?
Cu17 Cu19 Cu20 50.27(8) . 3_556 ?
S15 Cu19 Cu20 146.31(12) . 3_556 ?
Cu22 Cu19 Cu20 53.90(19) . 3_556 ?
S18 Cu19 Cu20 105.61(8) . 3_556 ?
Cu21 Cu19 Cu20 56.86(7) . 3_556 ?
Cu24 Cu19 Cu20 105.22(11) 3_556 3_556 ?
Cu17 Cu19 Cu20 60.83(8) 3_556 3_556 ?
Cu23 Cu19 H2M 157.1(3) . . ?
Cu18 Cu19 H2M 54.85(11) . . ?
Cu20 Cu19 H2M 52.92(8) . . ?
S14 Cu19 H2M 118.21(13) . . ?
Cu17 Cu19 H2M 50.48(8) . . ?
S15 Cu19 H2M 113.15(10) . . ?
Cu22 Cu19 H2M 72.2(2) . . ?
S18 Cu19 H2M 106.59(9) . . ?
Cu21 Cu19 H2M 64.11(7) . . ?
Cu24 Cu19 H2M 67.18(8) 3_556 . ?
Cu17 Cu19 H2M 39.97(7) 3_556 . ?
Cu20 Cu19 H2M 38.12(6) 3_556 . ?
Cu24 Cu20 Cu18 139.7(3) 3_556 3_556 ?
Cu24 Cu20 Cu19 120.4(3) 3_556 . ?
Cu18 Cu20 Cu19 91.82(13) 3_556 . ?
Cu24 Cu20 Cu17 117.9(2) 3_556 3_556 ?
Cu18 Cu20 Cu17 91.08(13) 3_556 3_556 ?
Cu19 Cu20 Cu17 76.56(12) . 3_556 ?
Cu24 Cu20 S17 77.3(2) 3_556 . ?
Cu18 Cu20 S17 68.50(10) 3_556 . ?
Cu19 Cu20 S17 110.35(11) . . ?
Cu17 Cu20 S17 158.22(13) 3_556 . ?
Cu24 Cu20 S13 65.2(2) 3_556 3_556 ?
Cu18 Cu20 S13 109.46(11) 3_556 3_556 ?
Cu19 Cu20 S13 135.95(11) . 3_556 ?
Cu17 Cu20 S13 65.31(10) 3_556 3_556 ?
S17 Cu20 S13 113.26(11) . 3_556 ?
Cu24 Cu20 Cu22 122.9(3) 3_556 3_556 ?
Cu18 Cu20 Cu22 17.00(16) 3_556 3_556 ?
Cu19 Cu20 Cu22 104.0(2) . 3_556 ?
Cu17 Cu20 Cu22 105.3(2) 3_556 3_556 ?
S17 Cu20 Cu22 53.37(19) . 3_556 ?
S13 Cu20 Cu22 106.54(19) 3_556 3_556 ?
Cu24 Cu20 S15 59.3(2) 3_556 . ?
Cu18 Cu20 S15 149.31(13) 3_556 . ?
Cu19 Cu20 S15 61.69(8) . . ?
Cu17 Cu20 S15 96.86(10) 3_556 . ?
S17 Cu20 S15 104.60(11) . . ?
S13 Cu20 S15 100.76(11) 3_556 . ?
Cu22 Cu20 S15 150.15(19) 3_556 . ?
Cu24 Cu20 Cu21 105.4(2) 3_556 3_556 ?
Cu18 Cu20 Cu21 98.22(12) 3_556 3_556 ?
Cu19 Cu20 Cu21 88.83(11) . 3_556 ?
Cu17 Cu20 Cu21 14.35(7) 3_556 3_556 ?
S17 Cu20 Cu21 156.39(11) . 3_556 ?
S13 Cu20 Cu21 51.17(8) 3_556 3_556 ?
Cu22 Cu20 Cu21 109.9(2) 3_556 3_556 ?
S15 Cu20 Cu21 96.51(9) . 3_556 ?
Cu24 Cu20 Cu23 108.1(2) 3_556 . ?
Cu18 Cu20 Cu23 98.39(12) 3_556 . ?
Cu19 Cu20 Cu23 15.29(7) . . ?
Cu17 Cu20 Cu23 90.29(11) 3_556 . ?
S17 Cu20 Cu23 99.82(9) . . ?
S13 Cu20 Cu23 142.55(10) 3_556 . ?
Cu22 Cu20 Cu23 107.15(19) 3_556 . ?
S15 Cu20 Cu23 52.18(7) . . ?
Cu21 Cu20 Cu23 101.46(9) 3_556 . ?
Cu24 Cu20 Cu17 150.6(2) 3_556 . ?
Cu18 Cu20 Cu17 40.43(9) 3_556 . ?
Cu19 Cu20 Cu17 52.30(8) . . ?
Cu17 Cu20 Cu17 89.42(12) 3_556 . ?
S17 Cu20 Cu17 79.92(9) . . ?
S13 Cu20 Cu17 142.50(11) 3_556 . ?
Cu22 Cu20 Cu17 51.77(18) 3_556 . ?
S15 Cu20 Cu17 109.82(9) . . ?
Cu21 Cu20 Cu17 102.94(11) 3_556 . ?
Cu23 Cu20 Cu17 58.00(7) . . ?
Cu24 Cu20 Cu19 147.7(2) 3_556 3_556 ?
Cu18 Cu20 Cu19 39.83(9) 3_556 3_556 ?
Cu19 Cu20 Cu19 88.95(11) . 3_556 ?
Cu17 Cu20 Cu19 51.90(8) 3_556 3_556 ?
S17 Cu20 Cu19 106.69(10) . 3_556 ?
S13 Cu20 Cu19 84.57(8) 3_556 3_556 ?
Cu22 Cu20 Cu19 53.38(18) 3_556 3_556 ?
S15 Cu20 Cu19 143.00(10) . 3_556 ?
Cu21 Cu20 Cu19 58.45(8) 3_556 3_556 ?
Cu23 Cu20 Cu19 102.86(10) . 3_556 ?
Cu17 Cu20 Cu19 57.94(8) . 3_556 ?
Cu24 Cu20 H2M 165.7(3) 3_556 . ?
Cu18 Cu20 H2M 54.35(10) 3_556 . ?
Cu19 Cu20 H2M 51.61(8) . . ?
Cu17 Cu20 H2M 51.34(9) 3_556 . ?
S17 Cu20 H2M 115.86(12) . . ?
S13 Cu20 H2M 111.21(10) 3_556 . ?
Cu22 Cu20 H2M 71.29(19) 3_556 . ?
S15 Cu20 H2M 109.78(10) . . ?
Cu21 Cu20 H2M 65.00(8) 3_556 . ?
Cu23 Cu20 H2M 65.75(7) . . ?
Cu17 Cu20 H2M 38.08(6) . . ?
Cu19 Cu20 H2M 37.34(6) 3_556 . ?
Cu17 Cu21 S13 107.0(3) . . ?
Cu17 Cu21 S18 99.6(3) . . ?
S13 Cu21 S18 115.44(11) . . ?
Cu17 Cu21 S16 79.8(3) . . ?
S13 Cu21 S16 119.36(11) . . ?
S18 Cu21 S16 122.68(12) . . ?
Cu17 Cu21 Cu18 24.8(3) . 3_556 ?
S13 Cu21 Cu18 127.87(13) . 3_556 ?
S18 Cu21 Cu18 98.37(10) . 3_556 ?
S16 Cu21 Cu18 59.46(9) . 3_556 ?
Cu17 Cu21 Cu20 49.9(3) . 3_556 ?
S13 Cu21 Cu20 57.71(9) . 3_556 ?
S18 Cu21 Cu20 126.37(11) . 3_556 ?
S16 Cu21 Cu20 97.02(10) . 3_556 ?
Cu18 Cu21 Cu20 70.42(9) 3_556 3_556 ?
Cu17 Cu21 Cu19 50.5(3) . . ?
S13 Cu21 Cu19 92.32(10) . . ?
S18 Cu21 Cu19 62.56(9) . . ?
S16 Cu21 Cu19 128.06(12) . . ?
Cu18 Cu21 Cu19 68.60(9) 3_556 . ?
Cu20 Cu21 Cu19 64.69(10) 3_556 . ?
Cu17 Cu21 Cu22 41.5(3) . 3_556 ?
S13 Cu21 Cu22 139.23(19) . 3_556 ?
S18 Cu21 Cu22 98.08(16) . 3_556 ?
S16 Cu21 Cu22 45.96(17) . 3_556 ?
Cu18 Cu21 Cu22 16.77(16) 3_556 3_556 ?
Cu20 Cu21 Cu22 84.21(18) 3_556 3_556 ?
Cu19 Cu21 Cu22 82.78(18) . 3_556 ?
Cu17 Cu21 Cu23 64.4(3) . . ?
S13 Cu21 Cu23 94.67(9) . . ?
S18 Cu21 Cu23 47.94(7) . . ?
S16 Cu21 Cu23 136.86(12) . . ?
Cu18 Cu21 Cu23 79.16(9) 3_556 . ?
Cu20 Cu21 Cu23 78.54(9) 3_556 . ?
Cu19 Cu21 Cu23 15.57(5) . . ?
Cu22 Cu21 Cu23 91.04(17) 3_556 . ?
Cu17 Cu21 Cu24 63.4(3) . . ?
S13 Cu21 Cu24 46.66(8) . . ?
S18 Cu21 Cu24 136.70(11) . . ?
S16 Cu21 Cu24 94.67(10) . . ?
Cu18 Cu21 Cu24 81.40(9) 3_556 . ?
Cu20 Cu21 Cu24 14.94(5) 3_556 . ?
Cu19 Cu21 Cu24 77.72(10) . . ?
Cu22 Cu21 Cu24 93.06(17) 3_556 . ?
Cu23 Cu21 Cu24 90.37(9) . . ?
Cu18 Cu22 S16 102.2(5) . 3_556 ?
Cu18 Cu22 S17 95.8(6) . 3_556 ?
S16 Cu22 S17 121.9(4) 3_556 3_556 ?
Cu18 Cu22 S14 92.4(6) . . ?
S16 Cu22 S14 114.9(3) 3_556 . ?
S17 Cu22 S14 119.1(3) 3_556 . ?
Cu18 Cu22 Cu17 47.7(4) . 3_556 ?
S16 Cu22 Cu17 61.4(2) 3_556 3_556 ?
S17 Cu22 Cu17 96.5(3) 3_556 3_556 ?
S14 Cu22 Cu17 130.3(4) . 3_556 ?
Cu18 Cu22 Cu19 41.6(4) . . ?
S16 Cu22 Cu19 93.3(3) 3_556 . ?
S17 Cu22 Cu19 132.2(4) 3_556 . ?
S14 Cu22 Cu19 59.1(2) . . ?
Cu17 Cu22 Cu19 71.4(2) 3_556 . ?
Cu18 Cu22 Cu20 40.4(4) . 3_556 ?
S16 Cu22 Cu20 135.1(4) 3_556 3_556 ?
S17 Cu22 Cu20 59.6(2) 3_556 3_556 ?
S14 Cu22 Cu20 94.5(3) . 3_556 ?
Cu17 Cu22 Cu20 73.6(3) 3_556 3_556 ?
Cu19 Cu22 Cu20 72.7(3) . 3_556 ?
Cu18 Cu22 Cu21 59.6(4) . 3_556 ?
S16 Cu22 Cu21 52.44(17) 3_556 3_556 ?
S17 Cu22 Cu21 95.1(3) 3_556 3_556 ?
S14 Cu22 Cu21 138.7(3) . 3_556 ?
Cu17 Cu22 Cu21 11.96(8) 3_556 3_556 ?
Cu19 Cu22 Cu21 81.1(2) . 3_556 ?
Cu20 Cu22 Cu21 82.9(2) 3_556 3_556 ?
Cu18 Cu22 Cu24 53.5(4) . . ?
S16 Cu22 Cu24 144.7(4) 3_556 . ?
S17 Cu22 Cu24 49.39(17) 3_556 . ?
S14 Cu22 Cu24 93.3(3) . . ?
Cu17 Cu22 Cu24 84.4(3) 3_556 . ?
Cu19 Cu22 Cu24 83.0(3) . . ?
Cu20 Cu22 Cu24 13.13(7) 3_556 . ?
Cu21 Cu22 Cu24 92.5(2) 3_556 . ?
Cu19 Cu23 S18 112.1(2) . . ?
Cu19 Cu23 S14 82.5(2) . . ?
S18 Cu23 S14 118.29(10) . . ?
Cu19 Cu23 S15 90.6(2) . . ?
S18 Cu23 S15 118.36(10) . . ?
S14 Cu23 S15 121.11(10) . . ?
Cu19 Cu23 Cu18 23.96(19) . . ?
S18 Cu23 Cu18 126.73(11) . . ?
S14 Cu23 Cu18 59.46(8) . . ?
S15 Cu23 Cu18 97.13(10) . . ?
Cu19 Cu23 Cu20 47.7(2) . . ?
S18 Cu23 Cu20 95.04(9) . . ?
S14 Cu23 Cu20 128.73(11) . . ?
S15 Cu23 Cu20 58.96(9) . . ?
Cu18 Cu23 Cu20 69.49(9) . . ?
Cu19 Cu23 Cu17 53.9(2) . . ?
S18 Cu23 Cu17 59.12(8) . . ?
S14 Cu23 Cu17 99.00(10) . . ?
S15 Cu23 Cu17 122.94(12) . . ?
Cu18 Cu23 Cu17 68.53(9) . . ?
Cu20 Cu23 Cu17 64.44(10) . . ?
Cu19 Cu23 Cu21 66.6(2) . . ?
S18 Cu23 Cu21 48.76(7) . . ?
S14 Cu23 Cu21 95.77(9) . . ?
S15 Cu23 Cu21 134.20(11) . . ?
Cu18 Cu23 Cu21 77.97(9) . . ?
Cu20 Cu23 Cu21 77.28(9) . . ?
Cu17 Cu23 Cu21 14.21(5) . . ?
Cu20 Cu24 S15 102.3(2) 3_556 3_556 ?
Cu20 Cu24 S13 95.4(2) 3_556 . ?
S15 Cu24 S13 118.68(12) 3_556 . ?
Cu20 Cu24 S17 82.4(2) 3_556 3_556 ?
S15 Cu24 S17 116.63(11) 3_556 3_556 ?
S13 Cu24 S17 123.73(12) . 3_556 ?
Cu20 Cu24 Cu18 28.6(2) 3_556 . ?
S15 Cu24 Cu18 125.59(13) 3_556 . ?
S13 Cu24 Cu18 95.33(10) . . ?
S17 Cu24 Cu18 58.87(9) 3_556 . ?
Cu20 Cu24 Cu19 45.0(2) 3_556 3_556 ?
S15 Cu24 Cu19 57.90(9) 3_556 3_556 ?
S13 Cu24 Cu19 121.44(12) . 3_556 ?
S17 Cu24 Cu19 95.96(11) 3_556 3_556 ?
Cu18 Cu24 Cu19 68.39(9) . 3_556 ?
Cu20 Cu24 Cu17 47.1(2) 3_556 . ?
S15 Cu24 Cu17 91.82(10) 3_556 . ?
S13 Cu24 Cu17 60.31(9) . . ?
S17 Cu24 Cu17 127.33(13) 3_556 . ?
Cu18 Cu24 Cu17 68.48(9) . . ?
Cu19 Cu24 Cu17 61.43(10) 3_556 . ?
Cu20 Cu24 Cu22 44.0(3) 3_556 . ?
S15 Cu24 Cu22 135.04(18) 3_556 . ?
S13 Cu24 Cu22 96.84(17) . . ?
S17 Cu24 Cu22 45.87(17) 3_556 . ?
Cu18 Cu24 Cu22 15.54(14) . . ?
Cu19 Cu24 Cu22 80.86(17) 3_556 . ?
Cu17 Cu24 Cu22 82.28(17) . . ?
Cu20 Cu24 Cu21 59.7(2) 3_556 . ?
S15 Cu24 Cu21 94.87(10) 3_556 . ?
S13 Cu24 Cu21 47.33(8) . . ?
S17 Cu24 Cu21 135.55(12) 3_556 . ?
Cu18 Cu24 Cu21 77.59(9) . . ?
Cu19 Cu24 Cu21 74.11(9) 3_556 . ?
Cu17 Cu24 Cu21 13.90(6) . . ?
Cu22 Cu24 Cu21 89.71(17) . . ?
C1 O1 P1 125.2(6) . . ?
C4 O2 P1 121.5(5) . . ?
C7 O3 P2 132.3(9) . . ?
C10 O4 P2 126.1(6) . . ?
C13 O5 P3 126.5(8) . . ?
C16 O6 P3 122.9(6) . . ?
C19 O7 P4 131.9(10) . . ?
C22 O8 P4 124.7(5) . . ?
C25 O9 P5 122.3(4) . . ?
C28 O10 P5 126.4(4) . . ?
C31 O11 P6 123.0(8) . . ?
C34 O12 P6 130.5(7) . . ?
C37 O13 P7 120.5(6) . . ?
C40 O14 P7 124.4(6) . . ?
C43 O15 P8 126.5(7) . . ?
C46 O16 P8 127.5(6) . . ?
C49 O17 P9 124.4(6) . . ?
C52 O18 P9 125.1(6) . . ?
O1 P1 O2 101.4(3) . . ?
O1 P1 S2 112.5(2) . . ?
O2 P1 S2 109.0(2) . . ?
O1 P1 S1 107.0(2) . . ?
O2 P1 S1 109.3(2) . . ?
S2 P1 S1 116.58(11) . . ?
O3 P2 O4 99.7(5) . . ?
O3 P2 S3 109.6(3) . . ?
O4 P2 S3 112.2(3) . . ?
O3 P2 S4 111.5(3) . . ?
O4 P2 S4 102.9(2) . . ?
S3 P2 S4 119.01(11) . . ?
O5 P3 O6 107.8(5) . . ?
O5 P3 S5 106.1(3) . . ?
O6 P3 S5 112.3(2) . . ?
O5 P3 S6 108.3(3) . . ?
O6 P3 S6 102.2(2) . . ?
S5 P3 S6 119.67(12) . . ?
O7 P4 O8 110.0(5) . . ?
O7 P4 S7 103.7(4) . . ?
O8 P4 S7 110.9(2) . . ?
O7 P4 S8 110.1(3) . . ?
O8 P4 S8 103.3(2) . . ?
S7 P4 S8 118.83(12) . . ?
O10 P5 O9 108.2(3) . . ?
O10 P5 S10 112.12(19) . . ?
O9 P5 S10 103.2(2) . . ?
O10 P5 S9 102.56(19) . . ?
O9 P5 S9 110.79(19) . . ?
S10 P5 S9 119.72(11) . . ?
O12 P6 O11 104.3(5) . . ?
O12 P6 S12 112.1(3) . . ?
O11 P6 S12 106.4(3) . . ?
O12 P6 S11 110.0(4) . . ?
O11 P6 S11 102.1(3) . . ?
S12 P6 S11 120.15(13) . . ?
O14 P7 O13 100.8(3) . . ?
O14 P7 S14 111.1(3) . . ?
O13 P7 S14 107.5(2) . . ?
O14 P7 S13 108.8(3) . . ?
O13 P7 S13 110.4(2) . . ?
S14 P7 S13 117.00(12) . . ?
O16 P8 O15 102.0(5) . . ?
O16 P8 S16 112.7(4) . 3_556 ?
O15 P8 S16 104.3(3) . 3_556 ?
O16 P8 S15 108.3(3) . . ?
O15 P8 S15 110.8(3) . . ?
S16 P8 S15 117.46(12) 3_556 . ?
O18 P9 O17 101.1(4) . . ?
O18 P9 S17 110.8(3) . . ?
O17 P9 S17 106.7(3) . . ?
O18 P9 S18 108.6(3) . . ?
O17 P9 S18 110.7(3) . . ?
S17 P9 S18 117.66(11) . . ?
P1 S1 Cu9 102.72(11) . . ?
P1 S1 Cu5 100.77(14) . . ?
Cu9 S1 Cu5 14.69(11) . . ?
P1 S1 Cu14 106.92(17) . . ?
Cu9 S1 Cu14 72.5(2) . . ?
Cu5 S1 Cu14 58.8(2) . . ?
P1 S1 Cu2 93.98(9) . . ?
Cu9 S1 Cu2 69.70(7) . . ?
Cu5 S1 Cu2 55.09(13) . . ?
Cu14 S1 Cu2 13.94(14) . . ?
P1 S2 Cu12 112.5(2) . . ?
P1 S2 Cu16 100.06(13) . . ?
Cu12 S2 Cu16 87.3(3) . . ?
P1 S2 Cu3 101.15(10) . . ?
Cu12 S2 Cu3 69.6(3) . . ?
Cu16 S2 Cu3 18.59(7) . . ?
P1 S2 Cu8 101.55(14) . . ?
Cu12 S2 Cu8 20.3(2) . . ?
Cu16 S2 Cu8 71.83(14) . . ?
Cu3 S2 Cu8 53.29(11) . . ?
P2 S3 Cu13 109.79(12) . . ?
P2 S3 Cu10 106.98(11) . . ?
Cu13 S3 Cu10 85.62(11) . . ?
P2 S3 Cu1 102.13(9) . . ?
Cu13 S3 Cu1 21.31(8) . . ?
Cu10 S3 Cu1 68.28(7) . . ?
P2 S3 Cu6 103.82(11) . . ?
Cu13 S3 Cu6 69.09(14) . . ?
Cu10 S3 Cu6 18.59(8) . . ?
Cu1 S3 Cu6 50.32(11) . . ?
P2 S4 Cu15 104.92(12) . . ?
P2 S4 Cu11 109.03(11) . . ?
Cu15 S4 Cu11 87.36(11) . . ?
P2 S4 Cu7 101.29(11) . . ?
Cu15 S4 Cu7 72.32(13) . . ?
Cu11 S4 Cu7 18.90(9) . . ?
P2 S4 Cu4 101.82(9) . . ?
Cu15 S4 Cu4 17.72(7) . . ?
Cu11 S4 Cu4 71.64(7) . . ?
Cu7 S4 Cu4 55.31(11) . . ?
P3 S5 Cu15 108.28(13) . . ?
P3 S5 Cu4 104.34(11) . . ?
Cu15 S5 Cu4 19.29(7) . . ?
P3 S5 Cu12 106.8(2) . . ?
Cu15 S5 Cu12 82.1(3) . . ?
Cu4 S5 Cu12 64.6(2) . . ?
P3 S5 Cu8 102.40(11) . . ?
Cu15 S5 Cu8 67.41(12) . . ?
Cu4 S5 Cu8 48.92(10) . . ?
Cu12 S5 Cu8 17.0(2) . . ?
P3 S6 Cu11 105.32(10) . . ?
P3 S6 Cu16 108.81(14) . . ?
Cu11 S6 Cu16 87.02(12) . . ?
P3 S6 Cu3 100.52(10) . . ?
Cu11 S6 Cu3 72.98(8) . . ?
Cu16 S6 Cu3 18.42(8) . . ?
P3 S6 Cu7 101.85(11) . . ?
Cu11 S6 Cu7 18.39(9) . . ?
Cu16 S6 Cu7 70.77(14) . . ?
Cu3 S6 Cu7 55.32(11) . . ?
P4 S7 Cu10 109.87(11) . . ?
P4 S7 Cu14 102.63(18) . . ?
Cu10 S7 Cu14 71.1(3) . . ?
P4 S7 Cu6 103.35(12) . . ?
Cu10 S7 Cu6 20.71(11) . . ?
Cu14 S7 Cu6 52.2(3) . . ?
P4 S8 Cu13 109.35(12) . . ?
P4 S8 Cu9 102.74(10) . . ?
Cu13 S8 Cu9 91.60(12) . . ?
P4 S8 Cu5 99.07(16) . . ?
Cu13 S8 Cu5 79.12(15) . . ?
Cu9 S8 Cu5 14.92(10) . . ?
P4 S8 Cu1 103.06(10) . . ?
Cu13 S8 Cu1 21.52(8) . . ?
Cu9 S8 Cu1 72.66(7) . . ?
Cu5 S8 Cu1 59.01(12) . . ?
P5 S9 Cu13 105.53(11) . . ?
P5 S9 Cu11 107.70(10) . . ?
Cu13 S9 Cu11 88.93(11) . . ?
P5 S9 Cu7 102.93(11) . . ?
Cu13 S9 Cu7 71.83(14) . . ?
Cu11 S9 Cu7 19.37(9) . . ?
P5 S9 Cu1 100.67(8) . . ?
Cu13 S9 Cu1 21.36(8) . . ?
Cu11 S9 Cu1 70.31(7) . . ?
Cu7 S9 Cu1 51.91(11) . . ?
P5 S10 Cu16 107.81(13) . . ?
P5 S10 Cu9 105.20(10) . . ?
Cu16 S10 Cu9 87.57(12) . . ?
P5 S10 Cu5 101.58(13) . . ?
Cu16 S10 Cu5 75.45(15) . . ?
Cu9 S10 Cu5 14.18(9) . . ?
P5 S10 Cu3 102.90(9) . . ?
Cu16 S10 Cu3 16.89(8) . . ?
Cu9 S10 Cu3 72.98(8) . . ?
Cu5 S10 Cu3 59.96(12) . . ?
P6 S11 Cu10 109.43(11) . . ?
P6 S11 Cu15 106.85(13) . . ?
Cu10 S11 Cu15 87.92(11) . . ?
P6 S11 Cu4 99.72(10) . . ?
Cu10 S11 Cu4 73.36(8) . . ?
Cu15 S11 Cu4 19.04(7) . . ?
P6 S11 Cu6 100.93(13) . . ?
Cu10 S11 Cu6 19.68(9) . . ?
Cu15 S11 Cu6 73.03(12) . . ?
Cu4 S11 Cu6 56.24(10) . . ?
P6 S12 Cu14 105.0(2) . . ?
P6 S12 Cu2 104.37(13) . . ?
Cu14 S12 Cu2 15.05(16) . . ?
P6 S12 Cu12 96.5(2) . . ?
Cu14 S12 Cu12 64.2(3) . . ?
Cu2 S12 Cu12 49.2(2) . . ?
P6 S12 Cu8 95.75(15) . . ?
Cu14 S12 Cu8 46.0(2) . . ?
Cu2 S12 Cu8 31.10(12) . . ?
Cu12 S12 Cu8 19.0(2) . . ?
P7 S13 Cu24 110.18(12) . . ?
P7 S13 Cu21 104.87(11) . . ?
Cu24 S13 Cu21 86.00(11) . . ?
P7 S13 Cu20 101.25(11) . 3_556 ?
Cu24 S13 Cu20 19.44(6) . 3_556 ?
Cu21 S13 Cu20 71.11(10) . 3_556 ?
P7 S13 Cu17 103.82(10) . . ?
Cu24 S13 Cu17 70.94(10) . . ?
Cu21 S13 Cu17 16.24(6) . . ?
Cu20 S13 Cu17 55.09(9) 3_556 . ?
P7 S14 Cu22 113.1(2) . . ?
P7 S14 Cu23 101.21(10) . . ?
Cu22 S14 Cu23 83.5(2) . . ?
P7 S14 Cu19 101.65(10) . . ?
Cu22 S14 Cu19 64.7(2) . . ?
Cu23 S14 Cu19 20.03(6) . . ?
P7 S14 Cu18 103.73(11) . . ?
Cu22 S14 Cu18 20.5(2) . . ?
Cu23 S14 Cu18 66.67(9) . . ?
Cu19 S14 Cu18 46.82(9) . . ?
P8 S15 Cu24 106.54(11) . 3_556 ?
P8 S15 Cu23 105.72(12) . . ?
Cu24 S15 Cu23 85.87(11) 3_556 . ?
P8 S15 Cu19 95.90(11) . . ?
Cu24 S15 Cu19 72.54(10) 3_556 . ?
Cu23 S15 Cu19 19.20(6) . . ?
P8 S15 Cu20 103.57(10) . . ?
Cu24 S15 Cu20 18.41(6) 3_556 . ?
Cu23 S15 Cu20 68.86(9) . . ?
Cu19 S15 Cu20 54.33(8) . . ?
P8 S16 Cu22 116.8(2) 3_556 3_556 ?
P8 S16 Cu17 101.62(12) 3_556 . ?
Cu22 S16 Cu17 65.4(3) 3_556 . ?
P8 S16 Cu21 102.98(12) 3_556 . ?
Cu22 S16 Cu21 81.6(2) 3_556 . ?
Cu17 S16 Cu21 18.56(6) . . ?
P8 S16 Cu18 107.12(11) 3_556 3_556 ?
Cu22 S16 Cu18 20.2(2) 3_556 3_556 ?
Cu17 S16 Cu18 47.61(10) . 3_556 ?
Cu21 S16 Cu18 65.38(10) . 3_556 ?
P9 S17 Cu22 113.8(2) . 3_556 ?
P9 S17 Cu24 104.08(12) . 3_556 ?
Cu22 S17 Cu24 84.7(3) 3_556 3_556 ?
P9 S17 Cu20 101.54(11) . . ?
Cu22 S17 Cu20 67.0(3) 3_556 . ?
Cu24 S17 Cu20 20.25(6) 3_556 . ?
P9 S17 Cu18 106.76(11) . 3_556 ?
Cu22 S17 Cu18 20.8(2) 3_556 3_556 ?
Cu24 S17 Cu18 66.70(10) 3_556 3_556 ?
Cu20 S17 Cu18 47.58(9) . 3_556 ?
P9 S18 Cu23 101.75(11) . . ?
P9 S18 Cu21 107.70(11) . . ?
Cu23 S18 Cu21 83.30(10) . . ?
P9 S18 Cu17 98.19(11) . . ?
Cu23 S18 Cu17 70.77(9) . . ?
Cu21 S18 Cu17 17.17(6) . . ?
P9 S18 Cu19 99.76(10) . . ?
Cu23 S18 Cu19 16.46(5) . . ?
Cu21 S18 Cu19 68.12(9) . . ?
Cu17 S18 Cu19 54.60(8) . . ?

_refine_diff_density_max         2.487
_refine_diff_density_min         -1.259
_refine_diff_density_rms         0.147

####################################################################### 
# 
# 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_6a
_database_code_depnum_ccdc_archive 'CCDC 2051211'
loop_
_audit_author_name
_audit_author_address
'Jian-Hong Liao'
;Department of Chemistry, National Dong Hwa University
Taiwan
;
_audit_update_record             
;
2020-12-18 deposited with the CCDC.	2021-03-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H85 Ag6 Cu O12 P6 Se12'
_chemical_formula_weight         2554.14

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'
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'
Se Se -0.0929 2.2259 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.5584(6)
_cell_length_b                   13.4971(6)
_cell_length_c                   13.5892(7)
_cell_angle_alpha                110.4600(10)
_cell_angle_beta                 105.8160(10)
_cell_angle_gamma                109.9450(10)
_cell_volume                     1816.87(15)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5126
_cell_measurement_theta_min      2.65
_cell_measurement_theta_max      27.07

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.334
_exptl_crystal_F_000             1206
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    8.057
_shelx_estimated_absorpt_T_min   0.644
_shelx_estimated_absorpt_T_max   0.689
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5047
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            16325
_diffrn_reflns_av_unetI/netI     0.0608
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.786
_diffrn_reflns_theta_max         27.182
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measured_fraction_theta_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_point_group_measured_fraction_full 0.986
_reflns_number_total             7859
_reflns_number_gt                6378
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0254P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7859
_refine_ls_number_parameters     374
_refine_ls_number_restraints     108
_refine_ls_R_factor_all          0.0487
_refine_ls_R_factor_gt           0.0347
_refine_ls_wR_factor_ref         0.0759
_refine_ls_wR_factor_gt          0.0701
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_restrained_S_all      1.018
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.65021(7) 0.60957(6) 0.65464(7) 0.01832(15) Uani 0.5 1 d . . P A .
Ag2 Ag 0.48939(6) 0.33792(7) 0.44602(6) 0.01873(15) Uani 0.5 1 d . . P A .
Ag3 Ag 0.54527(6) 0.55480(6) 0.39258(6) 0.01773(15) Uani 0.5 1 d . . P A .
Ag4 Ag 0.63848(6) 0.49926(6) 0.50104(5) 0.01499(14) Uani 0.5 1 d . . P A .
Ag5 Ag 0.71554(7) 0.67234(7) 0.74076(7) 0.01451(16) Uani 0.3333 1 d . . P A 1
Ag6 Ag 0.55529(7) 0.58258(6) 0.33832(6) 0.01460(16) Uani 0.3333 1 d . . P A 1
Ag7 Ag 0.46696(7) 0.25061(7) 0.42505(6) 0.01494(16) Uani 0.3333 1 d . . P A 1
Cu5 Cu 0.71554(7) 0.67234(7) 0.74076(7) 0.01451(16) Uani 0.1667 1 d . . P A 2
Cu6 Cu 0.55529(7) 0.58258(6) 0.33832(6) 0.01460(16) Uani 0.1667 1 d . . P A 2
Cu7 Cu 0.46696(7) 0.25061(7) 0.42505(6) 0.01494(16) Uani 0.1667 1 d . . P A 2
H1M H 0.500000 0.500000 0.500000 0.07(3) Uiso 1 2 d S . P . .
Se1 Se 0.29525(4) 0.65866(4) 0.45493(4) 0.01689(10) Uani 1 1 d . . . . .
Se2 Se 0.33181(4) 0.48439(4) 0.19566(4) 0.01768(11) Uani 1 1 d . . . . .
Se3 Se 0.63090(4) 0.81292(4) 0.78954(4) 0.01899(11) Uani 1 1 d . . . . .
Se4 Se 0.32950(4) 0.54142(4) 0.69444(4) 0.01825(11) Uani 1 1 d . . . . .
Se5 Se 0.32809(4) 0.19932(4) 0.51386(4) 0.02028(11) Uani 1 1 d . . . . .
Se6 Se 0.13455(4) 0.30376(4) 0.35854(4) 0.01900(11) Uani 1 1 d . . . . .
P1 P 0.27967(10) 0.61683(10) 0.28141(9) 0.0131(2) Uani 1 1 d . . . . .
P2 P 0.47998(10) 0.72033(9) 0.82669(9) 0.0134(2) Uani 1 1 d . . . . .
P3 P 0.14694(10) 0.16273(9) 0.39263(9) 0.0132(2) Uani 1 1 d . . . . .
O1 O 0.3564(3) 0.7302(2) 0.2731(2) 0.0154(6) Uani 1 1 d . . . . .
O2 O 0.1388(3) 0.5755(2) 0.1981(2) 0.0172(7) Uani 1 1 d . . . . .
O3 O 0.4193(3) 0.8034(3) 0.8636(3) 0.0181(7) Uani 1 1 d . . . . .
O4 O 0.5514(3) 0.7283(2) 0.9461(2) 0.0169(7) Uani 1 1 d . . . . .
O5 O 0.0427(3) 0.1135(2) 0.4338(2) 0.0164(7) Uani 1 1 d . . . . .
O6 O 0.1056(3) 0.0453(2) 0.2783(2) 0.0152(6) Uani 1 1 d . . . . .
C1 C 0.3595(4) 0.8482(4) 0.3286(4) 0.0202(10) Uani 1 1 d . . . . .
H1 H 0.351663 0.861715 0.402924 0.024 Uiso 1 1 calc R U . . .
C2 C 0.4861(5) 0.9422(4) 0.3561(4) 0.0273(12) Uani 1 1 d . . . . .
H2A H 0.552923 0.941096 0.412692 0.041 Uiso 1 1 calc R U . . .
H2B H 0.491839 1.022021 0.389517 0.041 Uiso 1 1 calc R U . . .
H2C H 0.496304 0.924802 0.283946 0.041 Uiso 1 1 calc R U . . .
C3 C 0.2519(5) 0.8472(4) 0.2458(5) 0.0339(12) Uani 1 1 d . . . . .
H3A H 0.262367 0.838430 0.174841 0.051 Uiso 1 1 calc R U . . .
H3B H 0.250805 0.923132 0.283590 0.051 Uiso 1 1 calc R U . . .
H3C H 0.171981 0.779260 0.224604 0.051 Uiso 1 1 calc R U . . .
C4 C 0.0303(4) 0.4772(4) 0.1883(4) 0.0213(10) Uani 1 1 d . . . . .
H4 H 0.061415 0.445767 0.240112 0.026 Uiso 1 1 calc R U . . .
C5 C -0.0471(5) 0.5301(5) 0.2279(5) 0.0432(16) Uani 1 1 d . . . . .
H5A H 0.003446 0.593444 0.310262 0.065 Uiso 1 1 calc R U . . .
H5B H -0.122232 0.466657 0.219555 0.065 Uiso 1 1 calc R U . . .
H5C H -0.073137 0.565014 0.179732 0.065 Uiso 1 1 calc R U . . .
C6 C -0.0401(5) 0.3780(4) 0.0617(4) 0.0316(12) Uani 1 1 d . . . . .
H6A H -0.075675 0.407428 0.011866 0.047 Uiso 1 1 calc R U . . .
H6B H -0.108538 0.308008 0.053170 0.047 Uiso 1 1 calc R U . . .
H6C H 0.018376 0.354367 0.038092 0.047 Uiso 1 1 calc R U . . .
C7 C 0.3488(4) 0.8344(4) 0.7831(4) 0.0203(10) Uani 1 1 d . . . . .
H7 H 0.365358 0.812823 0.712664 0.024 Uiso 1 1 calc R U . . .
C8 C 0.2103(5) 0.7628(5) 0.7449(6) 0.0536(18) Uani 1 1 d . . . . .
H8A H 0.193378 0.783489 0.813528 0.080 Uiso 1 1 calc R U . . .
H8B H 0.183834 0.676349 0.705549 0.080 Uiso 1 1 calc R U . . .
H8C H 0.163025 0.781717 0.690461 0.080 Uiso 1 1 calc R U . . .
C9 C 0.4001(5) 0.9687(4) 0.8482(4) 0.0308(12) Uani 1 1 d . . . . .
H9A H 0.356212 0.993145 0.797670 0.046 Uiso 1 1 calc R U . . .
H9B H 0.490807 1.009829 0.870592 0.046 Uiso 1 1 calc R U . . .
H9C H 0.386708 0.990758 0.918847 0.046 Uiso 1 1 calc R U . . .
C10 C 0.4898(4) 0.6531(4) 0.9927(4) 0.0186(10) Uani 1 1 d . . . . .
H10 H 0.445968 0.565842 0.932223 0.022 Uiso 1 1 calc R U . . .
C11 C 0.3947(5) 0.6847(5) 1.0237(4) 0.0304(12) Uani 1 1 d . . . . .
H11A H 0.437263 0.770462 1.082260 0.046 Uiso 1 1 calc R U . . .
H11B H 0.356910 0.635349 1.055767 0.046 Uiso 1 1 calc R U . . .
H11C H 0.328319 0.668925 0.953092 0.046 Uiso 1 1 calc R U . . .
C12 C 0.5970(5) 0.6773(4) 1.0975(4) 0.0296(12) Uani 1 1 d . . . . .
H12A H 0.655888 0.655645 1.072745 0.044 Uiso 1 1 calc R U . . .
H12B H 0.562999 0.628645 1.131762 0.044 Uiso 1 1 calc R U . . .
H12C H 0.641540 0.763180 1.156027 0.044 Uiso 1 1 calc R U . . .
C13 C 0.0223(4) 0.1891(4) 0.5280(4) 0.0197(10) Uani 1 1 d . . . . .
H13 H 0.045593 0.269842 0.532876 0.024 Uiso 1 1 calc R U . . .
C14 C 0.1017(5) 0.2043(4) 0.6432(4) 0.0270(11) Uani 1 1 d . . . . .
H14A H 0.080519 0.124696 0.636724 0.041 Uiso 1 1 calc R U . . .
H14B H 0.084865 0.250698 0.704889 0.041 Uiso 1 1 calc R U . . .
H14C H 0.191469 0.247559 0.662773 0.041 Uiso 1 1 calc R U . . .
C15 C -0.1176(5) 0.1213(5) 0.4914(5) 0.0343(13) Uani 1 1 d . . . . .
H15A H -0.140183 0.040949 0.483597 0.051 Uiso 1 1 calc R U . . .
H15B H -0.165388 0.112899 0.416026 0.051 Uiso 1 1 calc R U . . .
H15C H -0.137970 0.166002 0.550907 0.051 Uiso 1 1 calc R U . . .
C16 C 0.0059(4) 0.0009(4) 0.1607(4) 0.0182(9) Uani 1 1 d . . . . .
H16 H 0.024835 0.067420 0.140521 0.022 Uiso 1 1 calc R U . . .
C17 C -0.1215(5) -0.0396(5) 0.1588(4) 0.0360(13) Uani 1 1 d . . . . .
H17A H -0.138891 -0.102432 0.181804 0.054 Uiso 1 1 calc R U . . .
H17B H -0.186040 -0.072264 0.079489 0.054 Uiso 1 1 calc R U . . .
H17C H -0.123233 0.029248 0.213823 0.054 Uiso 1 1 calc R U . . .
C18 C 0.0178(5) -0.0988(4) 0.0780(4) 0.0302(12) Uani 1 1 d . . . . .
H18A H 0.103680 -0.066902 0.084701 0.045 Uiso 1 1 calc R U . . .
H18B H -0.043202 -0.130602 -0.002583 0.045 Uiso 1 1 calc R U . . .
H18C H 0.000507 -0.163694 0.098185 0.045 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Cu5 1.0343(10) . ?
Ag1 Ag5 1.0343(10) . ?
Ag1 Ag4 2.0262(9) . ?
Ag1 Ag2 2.3801(11) 2_666 ?
Ag1 Ag3 2.4063(9) 2_666 ?
Ag1 Se6 2.6383(7) 2_666 ?
Ag1 Se2 2.7471(8) 2_666 ?
Ag1 Se3 2.8515(8) . ?
Ag1 Ag6 3.0227(9) 2_666 ?
Ag1 Ag7 3.0584(11) 2_666 ?
Ag1 Ag4 3.1289(10) 2_666 ?
Ag1 Ag3 3.1468(10) . ?
Ag1 H1M 1.9811(8) . ?
Ag2 Cu7 1.0219(10) . ?
Ag2 Ag7 1.0219(10) . ?
Ag2 Ag4 2.0306(9) . ?
Ag2 Ag3 2.4139(9) 2_666 ?
Ag2 Se1 2.6487(9) 2_666 ?
Ag2 Se3 2.7173(8) 2_666 ?
Ag2 Se5 2.8444(7) . ?
Ag2 Ag5 3.0059(11) 2_666 ?
Ag2 Ag6 3.0271(9) 2_666 ?
Ag2 Ag4 3.1396(10) 2_666 ?
Ag2 Ag3 3.1545(10) . ?
Ag2 H1M 1.9918(8) . ?
Ag3 Cu6 0.9549(9) . ?
Ag3 Ag6 0.9549(9) . ?
Ag3 Ag4 2.1296(10) . ?
Ag3 Se4 2.6252(8) 2_666 ?
Ag3 Se5 2.7397(8) 2_666 ?
Ag3 Se2 2.7972(9) . ?
Ag3 Ag7 2.9993(10) 2_666 ?
Ag3 Ag4 3.0584(8) 2_666 ?
Ag3 Ag5 3.0726(10) 2_666 ?
Ag3 H1M 1.9803(7) . ?
Ag4 Se6 2.6745(8) 2_666 ?
Ag4 Se4 2.6895(7) 2_666 ?
Ag4 Se1 2.7246(8) 2_666 ?
Ag4 Ag7 2.8986(10) . ?
Ag4 Cu7 2.8986(10) . ?
Ag4 Ag5 2.9026(10) . ?
Ag4 Cu5 2.9026(10) . ?
Ag4 Cu6 2.9201(10) . ?
Ag4 Ag6 2.9201(10) . ?
Ag4 H1M 1.7387(6) . ?
Ag5 Se3 2.4597(9) . ?
Ag5 Se2 2.5050(8) 2_666 ?
Ag5 Se6 2.5969(7) 2_666 ?
Ag6 Se2 2.4681(9) . ?
Ag6 Se5 2.4832(8) 2_666 ?
Ag6 Se4 2.5642(9) 2_666 ?
Ag6 Ag7 3.3682(10) 2_666 ?
Ag7 Se5 2.4259(7) . ?
Ag7 Se3 2.5158(8) 2_666 ?
Ag7 Se1 2.5556(9) 2_666 ?
Cu5 Se3 2.4597(9) . ?
Cu5 Se2 2.5050(8) 2_666 ?
Cu5 Se6 2.5969(7) 2_666 ?
Cu6 Se2 2.4681(9) . ?
Cu6 Se5 2.4832(8) 2_666 ?
Cu6 Se4 2.5642(9) 2_666 ?
Cu7 Se5 2.4259(7) . ?
Cu7 Se3 2.5158(8) 2_666 ?
Cu7 Se1 2.5556(9) 2_666 ?
Se1 P1 2.1587(10) . ?
Se2 P1 2.1772(12) . ?
Se3 P2 2.1806(10) . ?
Se4 P2 2.1526(12) . ?
Se5 P3 2.1805(13) . ?
Se6 P3 2.1544(12) . ?
P1 O1 1.568(3) . ?
P1 O2 1.586(3) . ?
P2 O4 1.571(3) . ?
P2 O3 1.578(3) . ?
P3 O6 1.572(3) . ?
P3 O5 1.592(3) . ?
O1 C1 1.486(5) . ?
O2 C4 1.475(5) . ?
O3 C7 1.482(5) . ?
O4 C10 1.486(4) . ?
O5 C13 1.480(5) . ?
O6 C16 1.486(5) . ?
C1 C3 1.498(7) . ?
C1 C2 1.498(6) . ?
C1 H1 1.0000 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C5 1.495(6) . ?
C4 C6 1.512(6) . ?
C4 H4 1.0000 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.496(7) . ?
C7 C9 1.502(6) . ?
C7 H7 1.0000 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C12 1.509(7) . ?
C10 C11 1.511(6) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.506(6) . ?
C13 C15 1.510(6) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.494(6) . ?
C16 C18 1.504(6) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 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
Cu5 Ag1 Ag4 140.83(7) . . ?
Ag5 Ag1 Ag4 140.83(7) . . ?
Ag5 Ag1 Ag2 117.86(7) . 2_666 ?
Ag4 Ag1 Ag2 90.52(4) . 2_666 ?
Ag5 Ag1 Ag3 121.23(6) . 2_666 ?
Ag4 Ag1 Ag3 86.82(4) . 2_666 ?
Ag2 Ag1 Ag3 82.45(3) 2_666 2_666 ?
Cu5 Ag1 Se6 76.37(5) . 2_666 ?
Ag5 Ag1 Se6 76.37(5) . 2_666 ?
Ag4 Ag1 Se6 68.53(3) . 2_666 ?
Ag2 Ag1 Se6 109.47(3) 2_666 2_666 ?
Ag3 Ag1 Se6 152.17(4) 2_666 2_666 ?
Ag5 Ag1 Se2 65.67(5) . 2_666 ?
Ag4 Ag1 Se2 111.02(3) . 2_666 ?
Ag2 Ag1 Se2 139.13(3) 2_666 2_666 ?
Ag3 Ag1 Se2 65.35(2) 2_666 2_666 ?
Se6 Ag1 Se2 110.66(3) 2_666 2_666 ?
Cu5 Ag1 Se3 57.71(6) . . ?
Ag5 Ag1 Se3 57.71(6) . . ?
Ag4 Ag1 Se3 149.34(4) . . ?
Ag2 Ag1 Se3 61.81(2) 2_666 . ?
Ag3 Ag1 Se3 101.21(3) 2_666 . ?
Se6 Ag1 Se3 106.59(3) 2_666 . ?
Se2 Ag1 Se3 99.11(2) 2_666 . ?
Ag5 Ag1 Ag6 106.67(5) . 2_666 ?
Ag4 Ag1 Ag6 96.62(3) . 2_666 ?
Ag2 Ag1 Ag6 94.40(3) 2_666 2_666 ?
Ag3 Ag1 Ag6 15.54(2) 2_666 2_666 ?
Se6 Ag1 Ag6 151.43(3) 2_666 2_666 ?
Se2 Ag1 Ag6 50.37(2) 2_666 2_666 ?
Se3 Ag1 Ag6 98.34(2) . 2_666 ?
Ag5 Ag1 Ag7 103.13(6) . 2_666 ?
Ag4 Ag1 Ag7 99.78(4) . 2_666 ?
Ag2 Ag1 Ag7 16.29(2) 2_666 2_666 ?
Ag3 Ag1 Ag7 96.33(3) 2_666 2_666 ?
Se6 Ag1 Ag7 100.30(2) 2_666 2_666 ?
Se2 Ag1 Ag7 142.33(3) 2_666 2_666 ?
Se3 Ag1 Ag7 50.24(2) . 2_666 ?
Ag6 Ag1 Ag7 106.39(3) 2_666 2_666 ?
Ag5 Ag1 Ag4 137.32(6) . 2_666 ?
Ag4 Ag1 Ag4 81.82(3) . 2_666 ?
Ag2 Ag1 Ag4 40.46(2) 2_666 2_666 ?
Ag3 Ag1 Ag4 42.82(2) 2_666 2_666 ?
Se6 Ag1 Ag4 138.51(3) 2_666 2_666 ?
Se2 Ag1 Ag4 106.69(2) 2_666 2_666 ?
Se3 Ag1 Ag4 84.31(2) . 2_666 ?
Ag6 Ag1 Ag4 56.65(2) 2_666 2_666 ?
Ag7 Ag1 Ag4 55.85(2) 2_666 2_666 ?
Cu5 Ag1 Ag3 146.49(6) . . ?
Ag5 Ag1 Ag3 146.49(6) . . ?
Ag4 Ag1 Ag3 42.03(3) . . ?
Ag2 Ag1 Ag3 49.44(2) 2_666 . ?
Ag3 Ag1 Ag3 89.98(3) 2_666 . ?
Se6 Ag1 Ag3 80.38(2) 2_666 . ?
Se2 Ag1 Ag3 146.65(3) 2_666 . ?
Se3 Ag1 Ag3 107.86(3) . . ?
Ag6 Ag1 Ag3 105.32(3) 2_666 . ?
Ag7 Ag1 Ag3 57.79(2) 2_666 . ?
Ag4 Ag1 Ag3 58.33(2) 2_666 . ?
Cu5 Ag1 H1M 167.70(7) . . ?
Ag5 Ag1 H1M 167.70(7) . . ?
Ag4 Ag1 H1M 51.41(3) . . ?
Ag2 Ag1 H1M 53.40(3) 2_666 . ?
Ag3 Ag1 H1M 52.58(2) 2_666 . ?
Se6 Ag1 H1M 113.85(3) 2_666 . ?
Se2 Ag1 H1M 114.22(3) 2_666 . ?
Se3 Ag1 H1M 111.20(3) . . ?
Ag6 Ag1 H1M 67.96(2) 2_666 . ?
Ag7 Ag1 H1M 69.12(3) 2_666 . ?
Ag4 Ag1 H1M 30.409(16) 2_666 . ?
Ag3 Ag1 H1M 37.396(17) . . ?
Cu7 Ag2 Ag4 141.19(7) . . ?
Ag7 Ag2 Ag4 141.19(7) . . ?
Ag7 Ag2 Ag1 122.93(7) . 2_666 ?
Ag4 Ag2 Ag1 90.01(4) . 2_666 ?
Ag7 Ag2 Ag3 115.51(6) . 2_666 ?
Ag4 Ag2 Ag3 86.52(3) . 2_666 ?
Ag1 Ag2 Ag3 82.05(3) 2_666 2_666 ?
Ag7 Ag2 Se1 73.60(6) . 2_666 ?
Ag4 Ag2 Se1 69.79(3) . 2_666 ?
Ag1 Ag2 Se1 157.78(3) 2_666 2_666 ?
Ag3 Ag2 Se1 105.06(3) 2_666 2_666 ?
Ag7 Ag2 Se3 67.79(6) . 2_666 ?
Ag4 Ag2 Se3 114.89(3) . 2_666 ?
Ag1 Ag2 Se3 67.66(3) 2_666 2_666 ?
Ag3 Ag2 Se3 141.92(3) 2_666 2_666 ?
Se1 Ag2 Se3 111.71(3) 2_666 2_666 ?
Cu7 Ag2 Se5 56.01(5) . . ?
Ag7 Ag2 Se5 56.01(5) . . ?
Ag4 Ag2 Se5 145.29(3) . . ?
Ag1 Ag2 Se5 99.37(3) 2_666 . ?
Ag3 Ag2 Se5 62.17(2) 2_666 . ?
Se1 Ag2 Se5 102.55(3) 2_666 . ?
Se3 Ag2 Se5 99.52(3) 2_666 . ?
Ag7 Ag2 Ag5 106.85(6) . 2_666 ?
Ag4 Ag2 Ag5 101.62(4) . 2_666 ?
Ag1 Ag2 Ag5 17.71(2) 2_666 2_666 ?
Ag3 Ag2 Ag5 96.08(3) 2_666 2_666 ?
Se1 Ag2 Ag5 156.36(3) 2_666 2_666 ?
Se3 Ag2 Ag5 50.60(2) 2_666 2_666 ?
Se5 Ag2 Ag5 96.55(3) . 2_666 ?
Ag7 Ag2 Ag6 100.59(6) . 2_666 ?
Ag4 Ag2 Ag6 96.39(3) . 2_666 ?
Ag1 Ag2 Ag6 94.06(3) 2_666 2_666 ?
Ag3 Ag2 Ag6 15.56(2) 2_666 2_666 ?
Se1 Ag2 Ag6 97.24(3) 2_666 2_666 ?
Se3 Ag2 Ag6 142.80(3) 2_666 2_666 ?
Se5 Ag2 Ag6 49.920(19) . 2_666 ?
Ag5 Ag2 Ag6 105.73(3) 2_666 2_666 ?
Ag7 Ag2 Ag4 136.60(6) . 2_666 ?
Ag4 Ag2 Ag4 81.48(3) . 2_666 ?
Ag1 Ag2 Ag4 40.19(2) 2_666 2_666 ?
Ag3 Ag2 Ag4 42.65(2) 2_666 2_666 ?
Se1 Ag2 Ag4 138.85(3) 2_666 2_666 ?
Se3 Ag2 Ag4 106.82(3) 2_666 2_666 ?
Se5 Ag2 Ag4 84.46(2) . 2_666 ?
Ag5 Ag2 Ag4 56.32(2) 2_666 2_666 ?
Ag6 Ag2 Ag4 56.49(2) 2_666 2_666 ?
Cu7 Ag2 Ag3 153.53(6) . . ?
Ag7 Ag2 Ag3 153.53(6) . . ?
Ag4 Ag2 Ag3 41.88(3) . . ?
Ag1 Ag2 Ag3 49.13(2) 2_666 . ?
Ag3 Ag2 Ag3 89.66(3) 2_666 . ?
Se1 Ag2 Ag3 109.17(3) 2_666 . ?
Se3 Ag2 Ag3 87.51(2) 2_666 . ?
Se5 Ag2 Ag3 142.22(3) . . ?
Ag5 Ag2 Ag3 59.78(2) 2_666 . ?
Ag6 Ag2 Ag3 105.03(3) 2_666 . ?
Ag4 Ag2 Ag3 58.14(2) 2_666 . ?
Cu7 Ag2 H1M 165.89(6) . . ?
Ag7 Ag2 H1M 165.89(6) . . ?
Ag4 Ag2 H1M 51.21(3) . . ?
Ag1 Ag2 H1M 52.99(3) 2_666 . ?
Ag3 Ag2 H1M 52.36(2) 2_666 . ?
Se1 Ag2 H1M 114.67(3) 2_666 . ?
Se3 Ag2 H1M 116.27(3) 2_666 . ?
Se5 Ag2 H1M 110.06(3) . . ?
Ag5 Ag2 H1M 70.47(3) 2_666 . ?
Ag6 Ag2 H1M 67.76(2) 2_666 . ?
Ag4 Ag2 H1M 30.273(16) 2_666 . ?
Ag3 Ag2 H1M 37.296(17) . . ?
Cu6 Ag3 Ag4 139.22(7) . . ?
Ag6 Ag3 Ag4 139.22(7) . . ?
Ag6 Ag3 Ag1 121.99(7) . 2_666 ?
Ag4 Ag3 Ag1 87.01(3) . 2_666 ?
Ag6 Ag3 Ag2 121.74(7) . 2_666 ?
Ag4 Ag3 Ag2 87.19(3) . 2_666 ?
Ag1 Ag3 Ag2 82.59(3) 2_666 2_666 ?
Ag6 Ag3 Se4 75.82(6) . 2_666 ?
Ag4 Ag3 Se4 67.97(3) . 2_666 ?
Ag1 Ag3 Se4 106.96(3) 2_666 2_666 ?
Ag2 Ag3 Se4 152.37(4) 2_666 2_666 ?
Ag6 Ag3 Se5 64.51(6) . 2_666 ?
Ag4 Ag3 Se5 111.01(3) . 2_666 ?
Ag1 Ag3 Se5 142.65(3) 2_666 2_666 ?
Ag2 Ag3 Se5 66.65(3) 2_666 2_666 ?
Se4 Ag3 Se5 110.10(3) 2_666 2_666 ?
Cu6 Ag3 Se2 60.33(6) . . ?
Ag6 Ag3 Se2 60.33(6) . . ?
Ag4 Ag3 Se2 146.31(3) . . ?
Ag1 Ag3 Se2 63.21(3) 2_666 . ?
Ag2 Ag3 Se2 103.08(3) 2_666 . ?
Se4 Ag3 Se2 104.35(3) 2_666 . ?
Se5 Ag3 Se2 102.46(3) 2_666 . ?
Ag6 Ag3 Ag7 104.53(7) . 2_666 ?
Ag4 Ag3 Ag7 99.16(3) . 2_666 ?
Ag1 Ag3 Ag7 96.48(3) 2_666 2_666 ?
Ag2 Ag3 Ag7 17.91(2) 2_666 2_666 ?
Se4 Ag3 Ag7 152.14(3) 2_666 2_666 ?
Se5 Ag3 Ag7 49.758(19) 2_666 2_666 ?
Se2 Ag3 Ag7 99.51(3) . 2_666 ?
Ag6 Ag3 Ag4 138.70(7) . 2_666 ?
Ag4 Ag3 Ag4 82.07(3) . 2_666 ?
Ag1 Ag3 Ag4 41.41(2) 2_666 2_666 ?
Ag2 Ag3 Ag4 41.51(2) 2_666 2_666 ?
Se4 Ag3 Ag4 138.68(3) 2_666 2_666 ?
Se5 Ag3 Ag4 106.82(3) 2_666 2_666 ?
Se2 Ag3 Ag4 84.86(2) . 2_666 ?
Ag7 Ag3 Ag4 57.16(2) 2_666 2_666 ?
Ag6 Ag3 Ag5 106.31(7) . 2_666 ?
Ag4 Ag3 Ag5 97.21(3) . 2_666 ?
Ag1 Ag3 Ag5 16.73(2) 2_666 2_666 ?
Ag2 Ag3 Ag5 96.30(3) 2_666 2_666 ?
Se4 Ag3 Ag5 98.57(3) 2_666 2_666 ?
Se5 Ag3 Ag5 145.42(3) 2_666 2_666 ?
Se2 Ag3 Ag5 50.26(2) . 2_666 ?
Ag7 Ag3 Ag5 107.75(3) 2_666 2_666 ?
Ag4 Ag3 Ag5 56.51(2) 2_666 2_666 ?
Cu6 Ag3 Ag1 146.89(7) . . ?
Ag6 Ag3 Ag1 146.89(7) . . ?
Ag4 Ag3 Ag1 39.57(2) . . ?
Ag1 Ag3 Ag1 90.02(3) 2_666 . ?
Ag2 Ag3 Ag1 48.51(3) 2_666 . ?
Se4 Ag3 Ag1 104.66(3) 2_666 . ?
Se5 Ag3 Ag1 85.18(2) 2_666 . ?
Se2 Ag3 Ag1 145.16(3) . . ?
Ag7 Ag3 Ag1 59.63(2) 2_666 . ?
Ag4 Ag3 Ag1 60.54(2) 2_666 . ?
Ag5 Ag3 Ag1 106.32(3) 2_666 . ?
Cu6 Ag3 H1M 170.88(8) . . ?
Ag6 Ag3 H1M 170.88(8) . . ?
Ag4 Ag3 H1M 49.89(2) . . ?
Ag1 Ag3 H1M 52.61(2) 2_666 . ?
Ag2 Ag3 H1M 52.79(2) 2_666 . ?
Se4 Ag3 H1M 112.23(3) 2_666 . ?
Se5 Ag3 H1M 114.60(3) 2_666 . ?
Se2 Ag3 H1M 112.22(3) . . ?
Ag7 Ag3 H1M 70.54(2) 2_666 . ?
Ag4 Ag3 H1M 32.178(17) 2_666 . ?
Ag5 Ag3 H1M 68.99(2) 2_666 . ?
Ag1 Ag3 H1M 37.414(18) . . ?
Ag1 Ag4 Ag2 103.28(3) . . ?
Ag1 Ag4 Ag3 98.41(4) . . ?
Ag2 Ag4 Ag3 98.59(4) . . ?
Ag1 Ag4 Se6 66.64(3) . 2_666 ?
Ag2 Ag4 Se6 158.01(4) . 2_666 ?
Ag3 Ag4 Se6 102.16(3) . 2_666 ?
Ag1 Ag4 Se4 152.16(3) . 2_666 ?
Ag2 Ag4 Se4 101.22(3) . 2_666 ?
Ag3 Ag4 Se4 64.80(3) . 2_666 ?
Se6 Ag4 Se4 94.18(2) 2_666 2_666 ?
Ag1 Ag4 Se1 104.38(3) . 2_666 ?
Ag2 Ag4 Se1 65.82(3) . 2_666 ?
Ag3 Ag4 Se1 154.74(3) . 2_666 ?
Se6 Ag4 Se1 96.83(3) 2_666 2_666 ?
Se4 Ag4 Se1 97.55(2) 2_666 2_666 ?
Ag1 Ag4 Ag7 109.43(3) . . ?
Ag2 Ag4 Ag7 12.77(3) . . ?
Ag3 Ag4 Ag7 108.07(3) . . ?
Se6 Ag4 Ag7 149.73(3) 2_666 . ?
Se4 Ag4 Ag7 97.25(2) 2_666 . ?
Se1 Ag4 Ag7 53.95(2) 2_666 . ?
Ag1 Ag4 Cu7 109.43(3) . . ?
Ag2 Ag4 Cu7 12.77(3) . . ?
Ag3 Ag4 Cu7 108.07(3) . . ?
Se6 Ag4 Cu7 149.73(3) 2_666 . ?
Se4 Ag4 Cu7 97.25(2) 2_666 . ?
Se1 Ag4 Cu7 53.95(2) 2_666 . ?
Ag1 Ag4 Ag5 13.01(3) . . ?
Ag2 Ag4 Ag5 111.64(3) . . ?
Ag3 Ag4 Ag5 106.15(3) . . ?
Se6 Ag4 Ag5 55.32(2) 2_666 . ?
Se4 Ag4 Ag5 147.02(3) 2_666 . ?
Se1 Ag4 Ag5 98.31(3) 2_666 . ?
Ag7 Ag4 Ag5 115.44(3) . . ?
Ag1 Ag4 Cu5 13.01(3) . . ?
Ag2 Ag4 Cu5 111.64(3) . . ?
Ag3 Ag4 Cu5 106.15(3) . . ?
Se6 Ag4 Cu5 55.32(2) 2_666 . ?
Se4 Ag4 Cu5 147.02(3) 2_666 . ?
Se1 Ag4 Cu5 98.31(3) 2_666 . ?
Cu7 Ag4 Cu5 115.44(3) . . ?
Ag1 Ag4 Cu6 105.77(4) . . ?
Ag2 Ag4 Cu6 105.93(4) . . ?
Ag3 Ag4 Cu6 12.33(2) . . ?
Se6 Ag4 Cu6 95.79(2) 2_666 . ?
Se4 Ag4 Cu6 54.21(2) 2_666 . ?
Se1 Ag4 Cu6 149.84(3) 2_666 . ?
Cu7 Ag4 Cu6 113.61(3) . . ?
Cu5 Ag4 Cu6 111.38(3) . . ?
Ag1 Ag4 Ag6 105.77(4) . . ?
Ag2 Ag4 Ag6 105.93(4) . . ?
Ag3 Ag4 Ag6 12.33(2) . . ?
Se6 Ag4 Ag6 95.79(2) 2_666 . ?
Se4 Ag4 Ag6 54.21(2) 2_666 . ?
Se1 Ag4 Ag6 149.84(3) 2_666 . ?
Ag7 Ag4 Ag6 113.61(3) . . ?
Ag5 Ag4 Ag6 111.38(3) . . ?
Ag1 Ag4 H1M 62.95(3) . . ?
Ag2 Ag4 H1M 63.24(3) . . ?
Ag3 Ag4 H1M 60.59(3) . . ?
Se6 Ag4 H1M 122.06(3) 2_666 . ?
Se4 Ag4 H1M 118.70(3) 2_666 . ?
Se1 Ag4 H1M 121.43(3) 2_666 . ?
Ag7 Ag4 H1M 75.84(2) . . ?
Cu7 Ag4 H1M 75.84(2) . . ?
Ag5 Ag4 H1M 75.96(3) . . ?
Cu5 Ag4 H1M 75.96(3) . . ?
Cu6 Ag4 H1M 72.92(3) . . ?
Ag6 Ag4 H1M 72.92(3) . . ?
Ag1 Ag5 Se3 101.46(7) . . ?
Ag1 Ag5 Se2 92.23(6) . 2_666 ?
Se3 Ag5 Se2 118.25(3) . 2_666 ?
Ag1 Ag5 Se6 80.86(5) . 2_666 ?
Se3 Ag5 Se6 121.07(3) . 2_666 ?
Se2 Ag5 Se6 120.50(3) 2_666 2_666 ?
Ag1 Ag5 Ag4 26.16(5) . . ?
Se3 Ag5 Ag4 122.64(4) . . ?
Se2 Ag5 Ag4 93.73(3) 2_666 . ?
Se6 Ag5 Ag4 57.88(2) 2_666 . ?
Ag1 Ag5 Ag2 44.43(5) . 2_666 ?
Se3 Ag5 Ag2 58.61(2) . 2_666 ?
Se2 Ag5 Ag2 121.15(3) 2_666 2_666 ?
Se6 Ag5 Ag2 93.79(3) 2_666 2_666 ?
Ag4 Ag5 Ag2 64.17(3) . 2_666 ?
Ag1 Ag5 Ag3 42.04(4) . 2_666 ?
Se3 Ag5 Ag3 94.17(3) . 2_666 ?
Se2 Ag5 Ag3 59.16(2) 2_666 2_666 ?
Se6 Ag5 Ag3 119.24(3) 2_666 2_666 ?
Ag4 Ag5 Ag3 61.50(2) . 2_666 ?
Ag2 Ag5 Ag3 62.51(3) 2_666 2_666 ?
Ag3 Ag6 Se2 100.03(6) . . ?
Ag3 Ag6 Se5 95.18(6) . 2_666 ?
Se2 Ag6 Se5 121.37(4) . 2_666 ?
Ag3 Ag6 Se4 83.02(6) . 2_666 ?
Se2 Ag6 Se4 116.71(3) . 2_666 ?
Se5 Ag6 Se4 121.21(3) 2_666 2_666 ?
Ag3 Ag6 Ag4 28.44(6) . . ?
Se2 Ag6 Ag4 122.07(3) . . ?
Se5 Ag6 Ag4 96.06(3) 2_666 . ?
Se4 Ag6 Ag4 58.30(2) 2_666 . ?
Ag3 Ag6 Ag1 42.47(5) . 2_666 ?
Se2 Ag6 Ag1 59.01(2) . 2_666 ?
Se5 Ag6 Ag1 124.37(3) 2_666 2_666 ?
Se4 Ag6 Ag1 92.42(3) 2_666 2_666 ?
Ag4 Ag6 Ag1 63.51(2) . 2_666 ?
Ag3 Ag6 Ag2 42.70(5) . 2_666 ?
Se2 Ag6 Ag2 95.57(3) . 2_666 ?
Se5 Ag6 Ag2 61.21(2) 2_666 2_666 ?
Se4 Ag6 Ag2 121.92(3) 2_666 2_666 ?
Ag4 Ag6 Ag2 63.70(2) . 2_666 ?
Ag1 Ag6 Ag2 63.45(2) 2_666 2_666 ?
Ag3 Ag6 Ag7 59.54(6) . 2_666 ?
Se2 Ag6 Ag7 97.44(3) . 2_666 ?
Se5 Ag6 Ag7 45.971(19) 2_666 2_666 ?
Se4 Ag6 Ag7 133.50(3) 2_666 2_666 ?
Ag4 Ag6 Ag7 77.35(3) . 2_666 ?
Ag1 Ag6 Ag7 78.48(2) 2_666 2_666 ?
Ag2 Ag6 Ag7 17.351(17) 2_666 2_666 ?
Ag2 Ag7 Se5 103.55(6) . . ?
Ag2 Ag7 Se3 90.12(6) . 2_666 ?
Se5 Ag7 Se3 118.46(3) . 2_666 ?
Ag2 Ag7 Se1 83.85(6) . 2_666 ?
Se5 Ag7 Se1 118.76(3) . 2_666 ?
Se3 Ag7 Se1 122.27(3) 2_666 2_666 ?
Ag2 Ag7 Ag4 26.05(5) . . ?
Se5 Ag7 Ag4 121.86(3) . . ?
Se3 Ag7 Ag4 95.59(3) 2_666 . ?
Se1 Ag7 Ag4 59.54(2) 2_666 . ?
Ag2 Ag7 Ag3 46.58(5) . 2_666 ?
Se5 Ag7 Ag3 59.55(2) . 2_666 ?
Se3 Ag7 Ag3 122.97(4) 2_666 2_666 ?
Se1 Ag7 Ag3 92.38(3) 2_666 2_666 ?
Ag4 Ag7 Ag3 62.45(2) . 2_666 ?
Ag2 Ag7 Ag1 40.78(6) . 2_666 ?
Se5 Ag7 Ag1 92.79(3) . 2_666 ?
Se3 Ag7 Ag1 60.61(2) 2_666 2_666 ?
Se1 Ag7 Ag1 122.80(3) 2_666 2_666 ?
Ag4 Ag7 Ag1 63.30(3) . 2_666 ?
Ag3 Ag7 Ag1 62.59(3) 2_666 2_666 ?
Ag2 Ag7 Ag6 62.06(5) . 2_666 ?
Se5 Ag7 Ag6 47.39(2) . 2_666 ?
Se3 Ag7 Ag6 134.97(3) 2_666 2_666 ?
Se1 Ag7 Ag6 91.08(3) 2_666 2_666 ?
Ag4 Ag7 Ag6 74.88(2) . 2_666 ?
Ag3 Ag7 Ag6 15.928(18) 2_666 2_666 ?
Ag1 Ag7 Ag6 76.38(3) 2_666 2_666 ?
Ag1 Cu5 Se3 101.46(7) . . ?
Ag1 Cu5 Se2 92.23(6) . 2_666 ?
Se3 Cu5 Se2 118.25(3) . 2_666 ?
Ag1 Cu5 Se6 80.86(5) . 2_666 ?
Se3 Cu5 Se6 121.07(3) . 2_666 ?
Se2 Cu5 Se6 120.50(3) 2_666 2_666 ?
Ag1 Cu5 Ag4 26.16(5) . . ?
Se3 Cu5 Ag4 122.64(4) . . ?
Se2 Cu5 Ag4 93.73(3) 2_666 . ?
Se6 Cu5 Ag4 57.88(2) 2_666 . ?
Ag1 Cu5 Ag2 44.43(5) . 2_666 ?
Se3 Cu5 Ag2 58.61(2) . 2_666 ?
Se2 Cu5 Ag2 121.15(3) 2_666 2_666 ?
Se6 Cu5 Ag2 93.79(3) 2_666 2_666 ?
Ag4 Cu5 Ag2 64.17(3) . 2_666 ?
Ag1 Cu5 Ag3 42.04(4) . 2_666 ?
Se3 Cu5 Ag3 94.17(3) . 2_666 ?
Se2 Cu5 Ag3 59.16(2) 2_666 2_666 ?
Se6 Cu5 Ag3 119.24(3) 2_666 2_666 ?
Ag4 Cu5 Ag3 61.50(2) . 2_666 ?
Ag2 Cu5 Ag3 62.51(3) 2_666 2_666 ?
Ag3 Cu6 Se2 100.03(6) . . ?
Ag3 Cu6 Se5 95.18(6) . 2_666 ?
Se2 Cu6 Se5 121.37(4) . 2_666 ?
Ag3 Cu6 Se4 83.02(6) . 2_666 ?
Se2 Cu6 Se4 116.71(3) . 2_666 ?
Se5 Cu6 Se4 121.21(3) 2_666 2_666 ?
Ag3 Cu6 Ag4 28.44(6) . . ?
Se2 Cu6 Ag4 122.07(3) . . ?
Se5 Cu6 Ag4 96.06(3) 2_666 . ?
Se4 Cu6 Ag4 58.30(2) 2_666 . ?
Ag3 Cu6 Ag1 42.47(5) . 2_666 ?
Se2 Cu6 Ag1 59.01(2) . 2_666 ?
Se5 Cu6 Ag1 124.37(3) 2_666 2_666 ?
Se4 Cu6 Ag1 92.42(3) 2_666 2_666 ?
Ag4 Cu6 Ag1 63.51(2) . 2_666 ?
Ag3 Cu6 Ag2 42.70(5) . 2_666 ?
Se2 Cu6 Ag2 95.57(3) . 2_666 ?
Se5 Cu6 Ag2 61.21(2) 2_666 2_666 ?
Se4 Cu6 Ag2 121.92(3) 2_666 2_666 ?
Ag4 Cu6 Ag2 63.70(2) . 2_666 ?
Ag1 Cu6 Ag2 63.45(2) 2_666 2_666 ?
Ag2 Cu7 Se5 103.55(6) . . ?
Ag2 Cu7 Se3 90.12(6) . 2_666 ?
Se5 Cu7 Se3 118.46(3) . 2_666 ?
Ag2 Cu7 Se1 83.85(6) . 2_666 ?
Se5 Cu7 Se1 118.76(3) . 2_666 ?
Se3 Cu7 Se1 122.27(3) 2_666 2_666 ?
Ag2 Cu7 Ag4 26.05(5) . . ?
Se5 Cu7 Ag4 121.86(3) . . ?
Se3 Cu7 Ag4 95.59(3) 2_666 . ?
Se1 Cu7 Ag4 59.54(2) 2_666 . ?
Ag2 Cu7 Ag3 46.58(5) . 2_666 ?
Se5 Cu7 Ag3 59.55(2) . 2_666 ?
Se3 Cu7 Ag3 122.97(4) 2_666 2_666 ?
Se1 Cu7 Ag3 92.38(3) 2_666 2_666 ?
Ag4 Cu7 Ag3 62.45(2) . 2_666 ?
Ag2 Cu7 Ag1 40.78(6) . 2_666 ?
Se5 Cu7 Ag1 92.79(3) . 2_666 ?
Se3 Cu7 Ag1 60.61(2) 2_666 2_666 ?
Se1 Cu7 Ag1 122.80(3) 2_666 2_666 ?
Ag4 Cu7 Ag1 63.30(3) . 2_666 ?
Ag3 Cu7 Ag1 62.59(3) 2_666 2_666 ?
P1 Se1 Ag7 101.79(4) . 2_666 ?
P1 Se1 Ag2 101.01(4) . 2_666 ?
Ag7 Se1 Ag2 22.56(2) 2_666 2_666 ?
P1 Se1 Ag4 104.01(4) . 2_666 ?
Ag7 Se1 Ag4 66.50(2) 2_666 2_666 ?
Ag2 Se1 Ag4 44.38(2) 2_666 2_666 ?
P1 Se2 Cu6 99.87(4) . . ?
P1 Se2 Ag6 99.87(4) . . ?
P1 Se2 Ag5 109.61(3) . 2_666 ?
Ag6 Se2 Ag5 88.30(3) . 2_666 ?
P1 Se2 Ag1 98.93(3) . 2_666 ?
Ag6 Se2 Ag1 70.61(3) . 2_666 ?
Ag5 Se2 Ag1 22.10(2) 2_666 2_666 ?
P1 Se2 Ag3 97.49(4) . . ?
Cu6 Se2 Ag3 19.643(19) . . ?
Ag6 Se2 Ag3 19.643(19) . . ?
Ag5 Se2 Ag3 70.59(3) 2_666 . ?
Ag1 Se2 Ag3 51.44(2) 2_666 . ?
P2 Se3 Cu5 102.88(4) . . ?
P2 Se3 Ag5 102.88(4) . . ?
P2 Se3 Ag7 107.06(4) . 2_666 ?
Ag5 Se3 Ag7 87.60(3) . 2_666 ?
P2 Se3 Ag2 96.33(3) . 2_666 ?
Ag5 Se3 Ag2 70.79(3) . 2_666 ?
Ag7 Se3 Ag2 22.09(2) 2_666 2_666 ?
P2 Se3 Ag1 98.54(3) . . ?
Cu5 Se3 Ag1 20.82(2) . . ?
Ag5 Se3 Ag1 20.82(2) . . ?
Ag7 Se3 Ag1 69.15(3) 2_666 . ?
Ag2 Se3 Ag1 50.53(2) 2_666 . ?
P2 Se4 Ag6 103.33(4) . 2_666 ?
P2 Se4 Ag3 101.17(4) . 2_666 ?
Ag6 Se4 Ag3 21.16(2) 2_666 2_666 ?
P2 Se4 Ag4 105.62(3) . 2_666 ?
Ag6 Se4 Ag4 67.48(2) 2_666 2_666 ?
Ag3 Se4 Ag4 47.23(2) 2_666 2_666 ?
P3 Se5 Cu7 103.84(4) . . ?
P3 Se5 Ag7 103.84(4) . . ?
P3 Se5 Ag6 107.40(4) . 2_666 ?
Ag7 Se5 Ag6 86.64(3) . 2_666 ?
P3 Se5 Ag3 98.43(4) . 2_666 ?
Ag7 Se5 Ag3 70.69(3) . 2_666 ?
Ag6 Se5 Ag3 20.31(2) 2_666 2_666 ?
P3 Se5 Ag2 98.95(3) . . ?
Cu7 Se5 Ag2 20.44(2) . . ?
Ag7 Se5 Ag2 20.44(2) . . ?
Ag6 Se5 Ag2 68.86(2) 2_666 . ?
Ag3 Se5 Ag2 51.18(2) 2_666 . ?
P3 Se6 Ag5 98.96(4) . 2_666 ?
P3 Se6 Ag1 98.48(4) . 2_666 ?
Ag5 Se6 Ag1 22.77(2) 2_666 2_666 ?
P3 Se6 Ag4 106.38(4) . 2_666 ?
Ag5 Se6 Ag4 66.80(2) 2_666 2_666 ?
Ag1 Se6 Ag4 44.83(2) 2_666 2_666 ?
O1 P1 O2 101.57(16) . . ?
O1 P1 Se1 113.59(11) . . ?
O2 P1 Se1 108.23(11) . . ?
O1 P1 Se2 104.38(11) . . ?
O2 P1 Se2 108.41(12) . . ?
Se1 P1 Se2 119.17(5) . . ?
O4 P2 O3 101.78(16) . . ?
O4 P2 Se4 113.52(12) . . ?
O3 P2 Se4 108.20(12) . . ?
O4 P2 Se3 104.21(11) . . ?
O3 P2 Se3 108.33(11) . . ?
Se4 P2 Se3 119.31(5) . . ?
O6 P3 O5 101.22(15) . . ?
O6 P3 Se6 112.89(12) . . ?
O5 P3 Se6 109.20(13) . . ?
O6 P3 Se5 103.99(13) . . ?
O5 P3 Se5 108.84(13) . . ?
Se6 P3 Se5 119.13(5) . . ?
C1 O1 P1 124.1(2) . . ?
C4 O2 P1 121.0(3) . . ?
C7 O3 P2 123.5(3) . . ?
C10 O4 P2 123.9(3) . . ?
C13 O5 P3 125.4(2) . . ?
C16 O6 P3 124.8(3) . . ?
O1 C1 C3 109.2(4) . . ?
O1 C1 C2 105.9(4) . . ?
C3 C1 C2 112.7(4) . . ?
O1 C1 H1 109.7 . . ?
C3 C1 H1 109.7 . . ?
C2 C1 H1 109.7 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
O2 C4 C5 106.9(4) . . ?
O2 C4 C6 107.1(3) . . ?
C5 C4 C6 113.3(4) . . ?
O2 C4 H4 109.8 . . ?
C5 C4 H4 109.8 . . ?
C6 C4 H4 109.8 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O3 C7 C8 109.0(4) . . ?
O3 C7 C9 106.8(4) . . ?
C8 C7 C9 113.8(4) . . ?
O3 C7 H7 109.0 . . ?
C8 C7 H7 109.0 . . ?
C9 C7 H7 109.0 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O4 C10 C12 105.1(3) . . ?
O4 C10 C11 111.1(4) . . ?
C12 C10 C11 112.8(4) . . ?
O4 C10 H10 109.3 . . ?
C12 C10 H10 109.3 . . ?
C11 C10 H10 109.3 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O5 C13 C14 109.4(4) . . ?
O5 C13 C15 105.0(4) . . ?
C14 C13 C15 112.3(4) . . ?
O5 C13 H13 110.0 . . ?
C14 C13 H13 110.0 . . ?
C15 C13 H13 110.0 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O6 C16 C17 110.9(3) . . ?
O6 C16 C18 104.7(4) . . ?
C17 C16 C18 113.5(4) . . ?
O6 C16 H16 109.2 . . ?
C17 C16 H16 109.2 . . ?
C18 C16 H16 109.2 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?

_refine_diff_density_max         0.977
_refine_diff_density_min         -0.689
_refine_diff_density_rms         0.152

