#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:31:44 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178569 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/78/4067859.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4067859
loop_
_publ_author_name
'Chen, Zhong-Hui'
'Zhang, Li-Yi'
'Chen, Zhong-Ning'
_publ_section_title
;
 Structural Characterization and Luminescence Properties of a
 Triphosphine-Stabilized Ag16Cu9Heterometallic Alkynyl Cluster
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              256
_journal_paper_doi               10.1021/om200836k
_journal_volume                  31
_journal_year                    2012
_chemical_formula_sum            'C342 H359 Ag16 Cl5 Cu9 O20 P9'
_chemical_formula_weight         7543.05
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           167
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            12
_cell_length_a                   33.935(5)
_cell_length_b                   33.935(5)
_cell_length_c                   112.33(2)
_cell_measurement_temperature    293(2)
_cell_volume                     112027(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_wavelength     0.80000
_diffrn_reflns_av_R_equivalents  0.0217
_diffrn_reflns_av_sigmaI/netI    0.0716
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       118
_diffrn_reflns_limit_l_min       -118
_diffrn_reflns_number            28708
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    1.442
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.342
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             45648
_exptl_crystal_size_max          0.7000
_exptl_crystal_size_mid          0.6000
_exptl_crystal_size_min          0.4000
_platon_squeeze_details
;
The unit cell contains 60 ClO4 anions which have been treated as 
a diffuse contribution to the overall scattering without specific atom 
positions by SQUEEZE/PLATON. 
;
_refine_diff_density_max         2.224
_refine_diff_density_min         -1.078
_refine_diff_density_rms         0.148
_refine_ls_extinction_coef       0.000057(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.193
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1093
_refine_ls_number_reflns         14813
_refine_ls_number_restraints     1110
_refine_ls_restrained_S_all      1.193
_refine_ls_R_factor_all          0.1325
_refine_ls_R_factor_gt           0.1041
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1210P)²+35.7500P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2423
_refine_ls_wR_factor_ref         0.2567
_reflns_number_gt                7640
_reflns_number_total             14813
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om200836k_si_001.cif
_cod_data_source_block           z
_cod_original_cell_volume        112031(32)
_cod_original_sg_symbol_H-M      R-3c
_cod_database_code               4067859
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'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'
'y+2/3, x+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'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'
'y+1/3, x+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-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'
'-y+2/3, -x+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-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'
'-y+1/3, -x+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ag1 Ag 0.65162(5) 0.22493(5) 0.722758(13) 0.1514(5) Uani 1 1 d .
Ag2 Ag 0.61145(4) 0.24622(5) 0.703759(9) 0.1287(5) Uani 1 1 d .
Ag3 Ag 0.59555(4) 0.25690(4) 0.731921(9) 0.1150(4) Uani 1 1 d .
Ag4 Ag 0.54519(4) 0.26416(5) 0.712657(11) 0.1401(5) Uani 1 1 d .
Ag5 Ag 0.6667 0.3333 0.717840(18) 0.1352(7) Uani 1 3 d S
Ag6 Ag 0.52195(6) 0.15195(6) 0.726572(11) 0.1590(6) Uani 1 1 d .
Cu1 Cu 0.59810(5) 0.13354(5) 0.719382(14) 0.0985(5) Uani 1 1 d .
Cu2 Cu 0.45884(4) 0.19389(4) 0.725810(10) 0.0779(4) Uani 1 1 d .
Cu3 Cu 0.48406(4) 0.15465(5) 0.704893(12) 0.0911(4) Uani 1 1 d .
P1 P 0.64460(14) 0.10184(12) 0.72522(4) 0.1203(12) Uani 1 1 d D
P2 P 0.78647(14) 0.19957(13) 0.71370(3) 0.1207(12) Uani 1 1 d D
P3 P 0.40253(15) 0.11165(15) 0.70179(4) 0.1377(14) Uani 1 1 d .
C1 C 0.7051(4) 0.1424(5) 0.72603(12) 0.124(4) Uani 1 1 d DU
H1A H 0.7103 0.1676 0.7311 0.149 Uiso 1 1 calc R
H1B H 0.7209 0.1278 0.7294 0.149 Uiso 1 1 calc R
C2 C 0.7249(4) 0.1613(5) 0.71282(11) 0.131(5) Uani 1 1 d DU
H2A H 0.7105 0.1775 0.7096 0.157 Uiso 1 1 calc R
H2B H 0.7183 0.1360 0.7076 0.157 Uiso 1 1 calc R
C3 C 0.8004(4) 0.2118(4) 0.69782(9) 0.135(5) Uani 1 1 d DU
H3A H 0.7846 0.1838 0.6933 0.162 Uiso 1 1 calc R
H3B H 0.7903 0.2324 0.6950 0.162 Uiso 1 1 calc R
C4 C 0.8542(4) 0.2345(4) 0.69588(9) 0.181(8) Uani 1 1 d RDU
H4A H 0.8601 0.2354 0.6874 0.217 Uiso 1 1 calc R
H4B H 0.8641 0.2149 0.6995 0.217 Uiso 1 1 calc R
C5 C 0.6387(5) 0.0551(5) 0.71661(14) 0.137(4) Uani 1 1 d DU
C6 C 0.6020(6) 0.0323(6) 0.70893(18) 0.182(7) Uani 1 1 d DU
H6A H 0.5808 0.0420 0.7085 0.218 Uiso 1 1 calc R
C7 C 0.5953(8) -0.0039(8) 0.7019(2) 0.217(8) Uani 1 1 d DU
H7A H 0.5706 -0.0174 0.6968 0.260 Uiso 1 1 calc R
C8 C 0.6252(8) -0.0202(8) 0.7025(2) 0.215(9) Uani 1 1 d DU
H8A H 0.6210 -0.0448 0.6979 0.258 Uiso 1 1 calc R
C9 C 0.6617(7) 0.0014(6) 0.71029(19) 0.185(7) Uani 1 1 d DU
H9A H 0.6837 -0.0073 0.7105 0.221 Uiso 1 1 calc R
C10 C 0.6659(6) 0.0359(6) 0.71772(15) 0.167(5) Uani 1 1 d DU
H10A H 0.6880 0.0466 0.7237 0.200 Uiso 1 1 calc R
C11 C 0.6336(4) 0.0810(4) 0.74025(12) 0.123(4) Uani 1 1 d DU
C12 C 0.6610(6) 0.0680(6) 0.74646(13) 0.158(5) Uani 1 1 d DU
H12A H 0.6861 0.0697 0.7426 0.190 Uiso 1 1 calc R
C13 C 0.6521(7) 0.0527(7) 0.75811(13) 0.180(6) Uani 1 1 d DU
H13A H 0.6715 0.0453 0.7621 0.216 Uiso 1 1 calc R
C14 C 0.6139(6) 0.0485(7) 0.76369(17) 0.186(7) Uani 1 1 d DU
H14A H 0.6073 0.0384 0.7715 0.224 Uiso 1 1 calc R
C15 C 0.5855(7) 0.0596(8) 0.75748(14) 0.202(7) Uani 1 1 d DU
H15A H 0.5594 0.0560 0.7612 0.242 Uiso 1 1 calc R
C16 C 0.5952(3) 0.0759(3) 0.74588(10) 0.154(5) Uani 1 1 d DU
H16A H 0.5758 0.0834 0.7419 0.184 Uiso 1 1 calc R
C17 C 0.8077(3) 0.1631(3) 0.71939(10) 0.153(5) Uani 1 1 d RDU
C18 C 0.8250(3) 0.1711(3) 0.73090(10) 0.192(7) Uani 1 1 d RDU
H18A H 0.8276 0.1957 0.7352 0.231 Uiso 1 1 d R
C19 C 0.8397(9) 0.1433(8) 0.73557(19) 0.222(8) Uani 1 1 d DU
H19A H 0.8546 0.1499 0.7429 0.267 Uiso 1 1 calc R
C20 C 0.8319(11) 0.1050(9) 0.7291(2) 0.253(10) Uani 1 1 d DU
H20A H 0.8398 0.0849 0.7325 0.304 Uiso 1 1 calc R
C21 C 0.8127(10) 0.0954(8) 0.7177(2) 0.238(10) Uani 1 1 d DU
H21A H 0.8080 0.0698 0.7135 0.286 Uiso 1 1 calc R
C22 C 0.8010(8) 0.1254(6) 0.7131(2) 0.213(8) Uani 1 1 d DU
H22A H 0.7883 0.1202 0.7055 0.255 Uiso 1 1 calc R
C23 C 0.3825(5) 0.0654(5) 0.69065(13) 0.174(6) Uani 1 1 d GU
C24 C 0.3567(6) 0.0198(5) 0.69377(13) 0.221(9) Uani 1 1 d GU
H24A H 0.3481 0.0117 0.7016 0.266 Uiso 1 1 calc R
C25 C 0.3437(7) -0.0137(4) 0.68510(18) 0.267(12) Uani 1 1 d GU
H25A H 0.3264 -0.0442 0.6872 0.320 Uiso 1 1 calc R
C26 C 0.3565(8) -0.0015(6) 0.67332(16) 0.319(17) Uani 1 1 d GU
H26A H 0.3478 -0.0239 0.6675 0.382 Uiso 1 1 calc R
C27 C 0.3823(8) 0.0441(7) 0.67020(12) 0.342(18) Uani 1 1 d GU
H27A H 0.3909 0.0522 0.6623 0.411 Uiso 1 1 calc R
C28 C 0.3953(7) 0.0776(5) 0.67886(15) 0.276(13) Uani 1 1 d GU
H28A H 0.4125 0.1081 0.6768 0.331 Uiso 1 1 calc R
C29 C 0.3672(6) 0.0858(5) 0.71435(14) 0.236(11) Uani 1 1 d GU
C30 C 0.3235(7) 0.0789(6) 0.71567(18) 0.297(11) Uani 1 1 d GU
H30A H 0.3113 0.0892 0.7098 0.356 Uiso 1 1 calc R
C31 C 0.2980(6) 0.0566(6) 0.7257(2) 0.356(16) Uani 1 1 d GU
H31A H 0.2687 0.0519 0.7266 0.427 Uiso 1 1 calc R
C32 C 0.3162(8) 0.0412(6) 0.73437(16) 0.393(19) Uani 1 1 d GU
H32A H 0.2991 0.0262 0.7411 0.472 Uiso 1 1 calc R
C33 C 0.3599(9) 0.0481(6) 0.73305(17) 0.352(16) Uani 1 1 d GU
H33A H 0.3721 0.0378 0.7389 0.423 Uiso 1 1 calc R
C34 C 0.3855(5) 0.0704(6) 0.7230(2) 0.308(14) Uani 1 1 d GU
H34A H 0.4147 0.0750 0.7222 0.370 Uiso 1 1 calc R
C35 C 0.6593(5) 0.2209(5) 0.70617(15) 0.125(4) Uani 1 1 d U
C36 C 0.6639(4) 0.2104(4) 0.69557(12) 0.101(3) Uani 1 1 d U
C37 C 0.6707(4) 0.1992(4) 0.68394(9) 0.121(4) Uani 1 1 d GU
C38 C 0.6932(5) 0.1749(5) 0.68211(11) 0.197(8) Uani 1 1 d GU
H38A H 0.7037 0.1657 0.6886 0.236 Uiso 1 1 calc R
C39 C 0.6998(6) 0.1643(6) 0.67060(13) 0.224(9) Uani 1 1 d GDU
H39A H 0.7149 0.1480 0.6694 0.268 Uiso 1 1 calc R
C40 C 0.6841(6) 0.1780(6) 0.66093(9) 0.206(8) Uani 1 1 d GDU
C41 C 0.6617(7) 0.2023(6) 0.66276(10) 0.262(11) Uani 1 1 d GDU
H41A H 0.6511 0.2115 0.6563 0.314 Uiso 1 1 calc R
C42 C 0.6550(6) 0.2130(5) 0.67426(12) 0.237(10) Uani 1 1 d GU
H42A H 0.6400 0.2292 0.6755 0.284 Uiso 1 1 calc R
C43 C 0.6847(6) 0.1607(6) 0.64855(11) 0.260(12) Uani 1 1 d DU
C44 C 0.7224(8) 0.1921(10) 0.6399(2) 0.40(2) Uani 1 1 d DU
H44A H 0.7238 0.2210 0.6395 0.604 Uiso 1 1 calc R
H44B H 0.7158 0.1785 0.6321 0.604 Uiso 1 1 calc R
H44C H 0.7511 0.1963 0.6426 0.604 Uiso 1 1 calc R
C45 C 0.6891(13) 0.1182(10) 0.6470(2) 0.367(17) Uani 1 1 d DU
H45A H 0.6645 0.0930 0.6510 0.550 Uiso 1 1 calc R
H45B H 0.7176 0.1237 0.6503 0.550 Uiso 1 1 calc R
H45C H 0.6881 0.1114 0.6386 0.550 Uiso 1 1 calc R
C46 C 0.6442(7) 0.1469(9) 0.64017(18) 0.283(12) Uani 1 1 d DU
H46A H 0.6171 0.1233 0.6438 0.424 Uiso 1 1 calc R
H46B H 0.6496 0.1360 0.6328 0.424 Uiso 1 1 calc R
H46C H 0.6407 0.1728 0.6386 0.424 Uiso 1 1 calc R
C47 C 0.6126(4) 0.2017(4) 0.73541(11) 0.105(4) Uani 1 1 d DU
C48 C 0.5930(5) 0.1861(5) 0.74481(12) 0.113(4) Uani 1 1 d DU
C49 C 0.5733(4) 0.1692(4) 0.75715(7) 0.119(4) Uani 1 1 d GU
C50 C 0.5973(4) 0.1956(4) 0.76688(10) 0.176(7) Uani 1 1 d GU
H50A H 0.6248 0.2224 0.7657 0.212 Uiso 1 1 calc R
C51 C 0.5803(5) 0.1820(5) 0.77832(8) 0.226(10) Uani 1 1 d GU
H51A H 0.5964 0.1997 0.7848 0.271 Uiso 1 1 calc R
C52 C 0.5393(5) 0.1419(5) 0.78003(7) 0.229(10) Uani 1 1 d GDU
C53 C 0.5152(4) 0.1155(4) 0.77030(10) 0.162(6) Uani 1 1 d GU
H53A H 0.4878 0.0887 0.7714 0.194 Uiso 1 1 calc R
C54 C 0.5323(4) 0.1291(3) 0.75886(8) 0.145(5) Uani 1 1 d GU
H54A H 0.5162 0.1114 0.7523 0.173 Uiso 1 1 calc R
C55 C 0.5232(6) 0.1209(7) 0.79158(14) 0.304(13) Uani 1 1 d DU
C56 C 0.4721(6) 0.0936(11) 0.7941(2) 0.38(2) Uani 1 1 d DU
H56A H 0.4567 0.0747 0.7874 0.569 Uiso 1 1 calc R
H56B H 0.4609 0.1142 0.7955 0.569 Uiso 1 1 calc R
H56C H 0.4667 0.0750 0.8010 0.569 Uiso 1 1 calc R
C57 C 0.5354(11) 0.0857(10) 0.7961(2) 0.348(16) Uani 1 1 d DU
H57A H 0.5669 0.0962 0.7945 0.522 Uiso 1 1 calc R
H57B H 0.5169 0.0572 0.7921 0.522 Uiso 1 1 calc R
H57C H 0.5301 0.0816 0.8045 0.522 Uiso 1 1 calc R
C58 C 0.5377(11) 0.1511(9) 0.80270(16) 0.40(2) Uani 1 1 d DU
H58A H 0.5702 0.1695 0.8029 0.593 Uiso 1 1 calc R
H58B H 0.5274 0.1322 0.8097 0.593 Uiso 1 1 calc R
H58C H 0.5245 0.1703 0.8025 0.593 Uiso 1 1 calc R
C59 C 0.5417(5) 0.2329(5) 0.69903(14) 0.117(4) Uani 1 1 d U
C60 C 0.5356(4) 0.2161(5) 0.68849(15) 0.119(4) Uani 1 1 d U
C61 C 0.5241(5) 0.1952(5) 0.67653(9) 0.143(5) Uani 1 1 d GU
C62 C 0.5127(7) 0.2164(5) 0.66769(13) 0.241(9) Uani 1 1 d GU
H62A H 0.5094 0.2413 0.6696 0.289 Uiso 1 1 calc R
C63 C 0.5064(8) 0.2005(7) 0.65605(11) 0.260(10) Uani 1 1 d GU
H63A H 0.4988 0.2147 0.6501 0.312 Uiso 1 1 calc R
C64 C 0.5115(7) 0.1634(7) 0.65325(10) 0.241(8) Uani 1 1 d GDU
C65 C 0.5228(8) 0.1422(6) 0.66210(14) 0.249(9) Uani 1 1 d GU
H65A H 0.5262 0.1173 0.6602 0.298 Uiso 1 1 calc R
C66 C 0.5292(7) 0.1581(6) 0.67374(11) 0.236(9) Uani 1 1 d GU
H66A H 0.5368 0.1439 0.6797 0.283 Uiso 1 1 calc R
C67 C 0.4973(7) 0.1419(7) 0.64170(14) 0.289(11) Uani 1 1 d DU
C68 C 0.5278(11) 0.1277(13) 0.6350(2) 0.40(2) Uani 1 1 d DU
H68A H 0.5390 0.1139 0.6405 0.606 Uiso 1 1 calc R
H68B H 0.5530 0.1541 0.6315 0.606 Uiso 1 1 calc R
H68C H 0.5105 0.1063 0.6289 0.606 Uiso 1 1 calc R
C69 C 0.4901(12) 0.1676(10) 0.63158(18) 0.316(15) Uani 1 1 d DU
H69A H 0.5145 0.1986 0.6315 0.474 Uiso 1 1 calc R
H69B H 0.4617 0.1669 0.6327 0.474 Uiso 1 1 calc R
H69C H 0.4895 0.1534 0.6241 0.474 Uiso 1 1 calc R
C70 C 0.4525(10) 0.0968(9) 0.6405(2) 0.47(3) Uani 1 1 d DU
H70A H 0.4496 0.0773 0.6471 0.702 Uiso 1 1 calc R
H70B H 0.4524 0.0823 0.6332 0.702 Uiso 1 1 calc R
H70C H 0.4275 0.1025 0.6406 0.702 Uiso 1 1 calc R
C71 C 0.5406(4) 0.2763(5) 0.72924(15) 0.119(4) Uani 1 1 d U
C72 C 0.5304(4) 0.2770(4) 0.74021(12) 0.097(3) Uani 1 1 d U
C73 C 0.5177(4) 0.2779(4) 0.75185(9) 0.098(3) Uani 1 1 d DU
C74 C 0.5210(4) 0.2510(4) 0.76072(9) 0.139(4) Uani 1 1 d DU
H74A H 0.5334 0.2327 0.7589 0.166 Uiso 1 1 calc R
C75 C 0.5064(5) 0.2508(4) 0.77210(10) 0.140(4) Uani 1 1 d DU
H75A H 0.5093 0.2330 0.7779 0.168 Uiso 1 1 calc R
C76 C 0.4874(6) 0.2773(6) 0.77483(10) 0.153(5) Uani 1 1 d DU
C77 C 0.4854(6) 0.3057(5) 0.76641(10) 0.145(5) Uani 1 1 d DU
H77A H 0.4743 0.3249 0.7684 0.175 Uiso 1 1 calc R
C78 C 0.5002(5) 0.3055(4) 0.75493(10) 0.120(4) Uani 1 1 d DU
H78A H 0.4983 0.3243 0.7492 0.144 Uiso 1 1 calc R
C79 C 0.4710(6) 0.2776(6) 0.78722(11) 0.213(8) Uani 1 1 d DU
C80 C 0.4222(6) 0.2686(10) 0.78788(18) 0.277(12) Uani 1 1 d DU
H80A H 0.4034 0.2442 0.7825 0.416 Uiso 1 1 calc R
H80B H 0.4216 0.2956 0.7856 0.416 Uiso 1 1 calc R
H80C H 0.4111 0.2602 0.7959 0.416 Uiso 1 1 calc R
C81 C 0.4944(9) 0.3219(6) 0.7942(2) 0.313(17) Uani 1 1 d DU
H81A H 0.5263 0.3323 0.7947 0.469 Uiso 1 1 calc R
H81B H 0.4816 0.3170 0.8020 0.469 Uiso 1 1 calc R
H81C H 0.4901 0.3444 0.7901 0.469 Uiso 1 1 calc R
C82 C 0.4683(10) 0.2450(8) 0.7968(2) 0.314(14) Uani 1 1 d DU
H82A H 0.4933 0.2395 0.7960 0.471 Uiso 1 1 calc R
H82B H 0.4401 0.2168 0.7961 0.471 Uiso 1 1 calc R
H82C H 0.4698 0.2580 0.8045 0.471 Uiso 1 1 calc R
C83 C 0.4822(6) 0.1572(5) 0.73775(13) 0.125(4) Uani 1 1 d U
C84 C 0.4524(6) 0.1521(5) 0.74507(15) 0.131(5) Uani 1 1 d U
C86 C 0.4206(5) 0.1415(4) 0.75499(13) 0.134(4) Uani 1 1 d DU
C87 C 0.4050(5) 0.1010(5) 0.76098(12) 0.169(6) Uani 1 1 d DU
H87A H 0.4174 0.0827 0.7592 0.203 Uiso 1 1 calc R
C88 C 0.3715(5) 0.0867(6) 0.76958(14) 0.176(6) Uani 1 1 d DU
H88A H 0.3608 0.0592 0.7736 0.212 Uiso 1 1 calc R
C89 C 0.3551(6) 0.1157(5) 0.77192(15) 0.192(7) Uani 1 1 d DU
C90 C 0.3693(6) 0.1556(6) 0.76571(15) 0.179(6) Uani 1 1 d DU
H90A H 0.3563 0.1734 0.7673 0.215 Uiso 1 1 calc R
C91 C 0.4026(5) 0.1693(5) 0.75716(14) 0.153(5) Uani 1 1 d DU
H91A H 0.4126 0.1964 0.7530 0.184 Uiso 1 1 calc R
C92 C 0.3169(5) 0.1016(6) 0.78083(14) 0.236(9) Uani 1 1 d DU
C93 C 0.3098(10) 0.1383(8) 0.7866(3) 0.351(19) Uani 1 1 d DU
H93A H 0.3103 0.1586 0.7806 0.527 Uiso 1 1 calc R
H93B H 0.3337 0.1551 0.7922 0.527 Uiso 1 1 calc R
H93C H 0.2810 0.1243 0.7906 0.527 Uiso 1 1 calc R
C94 C 0.3167(9) 0.0763(10) 0.79208(18) 0.325(14) Uani 1 1 d DU
H94A H 0.3469 0.0904 0.7954 0.487 Uiso 1 1 calc R
H94B H 0.3069 0.0452 0.7901 0.487 Uiso 1 1 calc R
H94C H 0.2963 0.0774 0.7978 0.487 Uiso 1 1 calc R
C95 C 0.2683(5) 0.0699(10) 0.7767(2) 0.304(14) Uani 1 1 d DU
H95A H 0.2620 0.0827 0.7699 0.455 Uiso 1 1 calc R
H95B H 0.2476 0.0663 0.7830 0.455 Uiso 1 1 calc R
H95C H 0.2647 0.0408 0.7747 0.455 Uiso 1 1 calc R
C96 C 0.5336(5) 0.1286(5) 0.71159(16) 0.126(4) Uani 1 1 d U
C97 C 0.5329(5) 0.1041(5) 0.70344(15) 0.119(4) Uani 1 1 d U
C98 C 0.5286(5) 0.0762(4) 0.69336(12) 0.145(5) Uani 1 1 d DU
C99 C 0.5656(5) 0.0834(5) 0.68651(15) 0.206(8) Uani 1 1 d DU
H99A H 0.5938 0.1092 0.6878 0.247 Uiso 1 1 calc R
C100 C 0.5609(6) 0.0527(7) 0.67783(15) 0.243(11) Uani 1 1 d DU
H10B H 0.5864 0.0559 0.6739 0.291 Uiso 1 1 calc R
C101 C 0.5180(7) 0.0169(6) 0.67502(16) 0.239(10) Uani 1 1 d DU
C102 C 0.4815(6) 0.0082(6) 0.68222(19) 0.225(9) Uani 1 1 d DU
H10C H 0.4534 -0.0178 0.6810 0.270 Uiso 1 1 calc R
C103 C 0.4865(5) 0.0381(6) 0.69128(17) 0.193(8) Uani 1 1 d DU
H10D H 0.4616 0.0325 0.6960 0.231 Uiso 1 1 calc R
C104 C 0.5140(8) -0.0211(6) 0.66701(17) 0.340(14) Uani 1 1 d DU
C105 C 0.4675(9) -0.0648(8) 0.6651(3) 0.366(18) Uani 1 1 d DU
H10E H 0.4463 -0.0569 0.6617 0.549 Uiso 1 1 calc R
H10F H 0.4560 -0.0797 0.6726 0.549 Uiso 1 1 calc R
H10G H 0.4711 -0.0849 0.6598 0.549 Uiso 1 1 calc R
C106 C 0.5410(12) -0.0455(12) 0.6700(4) 0.43(2) Uani 1 1 d DU
H10H H 0.5706 -0.0237 0.6729 0.650 Uiso 1 1 calc R
H10I H 0.5440 -0.0597 0.6629 0.650 Uiso 1 1 calc R
H10J H 0.5250 -0.0682 0.6760 0.650 Uiso 1 1 calc R
C107 C 0.5275(15) -0.0120(11) 0.65381(19) 0.47(3) Uani 1 1 d DU
H10K H 0.5188 0.0088 0.6506 0.701 Uiso 1 1 calc R
H10L H 0.5123 -0.0401 0.6495 0.701 Uiso 1 1 calc R
H10M H 0.5598 0.0010 0.6531 0.701 Uiso 1 1 calc R
C108 C 0.6667 0.3333 0.7009(2) 0.118(7) Uani 1 3 d SU
C109 C 0.6667 0.3333 0.6897(2) 0.122(7) Uani 1 3 d SU
C110 C 0.6667 0.3333 0.67719(13) 0.125(7) Uani 1 3 d SGU
C111 C 0.6389(14) 0.2933(4) 0.67103(13) 0.148(13) Uani 0.33 1 d PGU
C112 C 0.6350(14) 0.2941(7) 0.65873(13) 0.169(16) Uani 0.33 1 d PGDU
C113 C 0.6590(9) 0.3350(5) 0.65258(13) 0.170(12) Uani 0.33 1 d PGDU
C114 C 0.6868(17) 0.3750(2) 0.65874(13) 0.162(16) Uani 0.33 1 d PGDU
C115 C 0.6906(15) 0.3742(2) 0.67104(13) 0.154(15) Uani 0.33 1 d PGU
C116 C 0.6667 0.3333 0.63931(15) 0.238(14) Uani 1 3 d SDU
C117 C 0.6748(17) 0.2945(12) 0.6352(2) 0.36(2) Uani 1 1 d DU
H11A H 0.7061 0.3031 0.6365 0.534 Uiso 1 1 calc R
H11B H 0.6681 0.2889 0.6268 0.534 Uiso 1 1 calc R
H11C H 0.6554 0.2673 0.6396 0.534 Uiso 1 1 calc R
C118 C 0.6667 0.3333 0.7351(2) 0.117(7) Uani 1 3 d SDU
C119 C 0.6667 0.3333 0.7459(2) 0.096(5) Uani 1 3 d SDU
C120 C 0.6667 0.3333 0.75833(12) 0.111(6) Uani 1 3 d SGU
C121 C 0.6303(12) 0.331(3) 0.76452(12) 0.164(13) Uani 0.33 1 d PGU
C122 C 0.6301(13) 0.331(3) 0.77689(12) 0.161(13) Uani 0.33 1 d PGDU
C123 C 0.6666(7) 0.3333(14) 0.78308(12) 0.162(9) Uani 1 3 d SGDU
C124 C 0.7025(12) 0.334(3) 0.77689(12) 0.155(12) Uani 0.33 1 d PGDU
C125 C 0.7026(12) 0.334(2) 0.76451(12) 0.134(10) Uani 0.33 1 d PGU
C126 C 0.6667 0.3333 0.79652(12) 0.202(11) Uani 1 3 d SDU
C127 C 0.6203(7) 0.2942(10) 0.8010(2) 0.32(2) Uani 1 1 d DU
H12B H 0.6167 0.2655 0.7985 0.477 Uiso 1 1 calc R
H12C H 0.5961 0.2977 0.7978 0.477 Uiso 1 1 calc R
H12D H 0.6194 0.2951 0.8096 0.477 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C47 Ag1 C35 145.9(6) . .
C47 Ag1 C71 110.0(6) . 2_655
C35 Ag1 C71 102.4(6) . 2_655
C47 Ag1 Cu1 72.0(4) . .
C35 Ag1 Cu1 79.5(4) . .
C71 Ag1 Cu1 129.1(3) 2_655 .
C47 Ag1 Ag4 153.0(4) . 2_655
C35 Ag1 Ag4 60.9(5) . 2_655
C71 Ag1 Ag4 43.9(4) 2_655 2_655
Cu1 Ag1 Ag4 126.72(7) . 2_655
C47 Ag1 Ag2 111.2(4) . .
C35 Ag1 Ag2 51.3(5) . .
C71 Ag1 Ag2 128.1(4) 2_655 .
Cu1 Ag1 Ag2 93.09(6) . .
Ag4 Ag1 Ag2 88.77(5) 2_655 .
C47 Ag1 Ag3 53.1(4) . .
C35 Ag1 Ag3 122.1(5) . .
C71 Ag1 Ag3 113.4(3) 2_655 .
Cu1 Ag1 Ag3 107.17(7) . .
Ag4 Ag1 Ag3 123.38(6) 2_655 .
Ag2 Ag1 Ag3 70.78(5) . .
C35 Ag2 C59 149.5(5) . .
C35 Ag2 C108 101.9(4) . .
C59 Ag2 C108 106.7(4) . .
C35 Ag2 Ag4 150.8(5) . .
C59 Ag2 Ag4 40.9(4) . .
C108 Ag2 Ag4 89.8(2) . .
C35 Ag2 Ag1 42.3(5) . .
C59 Ag2 Ag1 136.6(4) . .
C108 Ag2 Ag1 102.6(4) . .
Ag4 Ag2 Ag1 109.31(5) . .
C35 Ag2 Ag5 95.7(4) . .
C59 Ag2 Ag5 113.3(4) . .
C108 Ag2 Ag5 38.4(6) . .
Ag4 Ag2 Ag5 76.89(4) . .
Ag1 Ag2 Ag5 73.29(5) . .
C35 Ag2 Ag3 96.9(5) . .
C59 Ag2 Ag3 92.0(4) . .
C108 Ag2 Ag3 93.3(6) . .
Ag4 Ag2 Ag3 55.40(4) . .
Ag1 Ag2 Ag3 54.61(4) . .
Ag5 Ag2 Ag3 56.07(4) . .
C47 Ag3 C71 147.9(5) . .
C47 Ag3 C118 108.5(3) . .
C71 Ag3 C118 102.7(3) . .
C47 Ag3 Ag1 40.5(3) . .
C71 Ag3 Ag1 150.3(4) . .
C118 Ag3 Ag1 88.0(2) . .
C47 Ag3 Ag4 128.3(3) . .
C71 Ag3 Ag4 42.5(4) . .
C118 Ag3 Ag4 109.0(4) . .
Ag1 Ag3 Ag4 107.85(5) . .
C47 Ag3 Ag5 112.6(4) . .
C71 Ag3 Ag5 95.9(4) . .
C118 Ag3 Ag5 40.4(5) . .
Ag1 Ag3 Ag5 74.38(4) . .
Ag4 Ag3 Ag5 77.28(5) . .
C47 Ag3 Ag6 59.6(3) . .
C71 Ag3 Ag6 90.0(3) . .
C118 Ag3 Ag6 166.59(13) . .
Ag1 Ag3 Ag6 78.79(5) . .
Ag4 Ag3 Ag6 77.68(5) . .
Ag5 Ag3 Ag6 135.17(5) . .
C47 Ag3 Ag2 87.2(3) . .
C71 Ag3 Ag2 96.2(4) . .
C118 Ag3 Ag2 97.2(5) . .
Ag1 Ag3 Ag2 54.61(4) . .
Ag4 Ag3 Ag2 53.93(4) . .
Ag5 Ag3 Ag2 58.13(5) . .
Ag6 Ag3 Ag2 77.06(4) . .
C59 Ag4 C71 160.2(6) . .
C59 Ag4 C35 106.1(6) . 3_665
C71 Ag4 C35 93.4(6) . 3_665
C59 Ag4 Ag1 146.2(4) . 3_665
C71 Ag4 Ag1 53.6(4) . 3_665
C35 Ag4 Ag1 42.0(4) 3_665 3_665
C59 Ag4 Ag2 53.2(4) . .
C71 Ag4 Ag2 123.5(4) . .
C35 Ag4 Ag2 109.9(3) 3_665 .
Ag1 Ag4 Ag2 118.24(6) 3_665 .
C59 Ag4 Ag3 117.0(4) . .
C71 Ag4 Ag3 53.2(4) . .
C35 Ag4 Ag3 119.0(4) 3_665 .
Ag1 Ag4 Ag3 82.27(5) 3_665 .
Ag2 Ag4 Ag3 70.67(4) . .
C59 Ag4 Cu2 101.0(4) . .
C71 Ag4 Cu2 63.6(4) . .
C35 Ag4 Cu2 125.5(3) 3_665 .
Ag1 Ag4 Cu2 107.87(6) 3_665 .
Ag2 Ag4 Cu2 124.17(6) . .
Ag3 Ag4 Cu2 87.03(5) . .
C108 Ag5 C118 180.000(8) . .
C108 Ag5 Ag3 122.23(4) . 2_655
C118 Ag5 Ag3 57.77(4) . 2_655
C108 Ag5 Ag3 122.23(4) . .
C118 Ag5 Ag3 57.77(4) . .
Ag3 Ag5 Ag3 94.20(5) 2_655 .
C108 Ag5 Ag3 122.23(4) . 3_665
C118 Ag5 Ag3 57.77(4) . 3_665
Ag3 Ag5 Ag3 94.20(5) 2_655 3_665
Ag3 Ag5 Ag3 94.20(5) . 3_665
C108 Ag5 Ag2 58.59(4) . 2_655
C118 Ag5 Ag2 121.41(4) . 2_655
Ag3 Ag5 Ag2 65.79(3) 2_655 2_655
Ag3 Ag5 Ag2 144.24(3) . 2_655
Ag3 Ag5 Ag2 115.62(3) 3_665 2_655
C108 Ag5 Ag2 58.59(4) . .
C118 Ag5 Ag2 121.41(4) . .
Ag3 Ag5 Ag2 115.62(3) 2_655 .
Ag3 Ag5 Ag2 65.79(3) . .
Ag3 Ag5 Ag2 144.24(3) 3_665 .
Ag2 Ag5 Ag2 95.31(5) 2_655 .
C108 Ag5 Ag2 58.59(4) . 3_665
C118 Ag5 Ag2 121.41(4) . 3_665
Ag3 Ag5 Ag2 144.24(3) 2_655 3_665
Ag3 Ag5 Ag2 115.62(3) . 3_665
Ag3 Ag5 Ag2 65.79(3) 3_665 3_665
Ag2 Ag5 Ag2 95.31(5) 2_655 3_665
Ag2 Ag5 Ag2 95.31(5) . 3_665
C83 Ag6 C96 152.1(6) . .
C83 Ag6 Cu3 102.3(4) . .
C96 Ag6 Cu3 57.1(4) . .
C83 Ag6 Cu1 154.1(4) . .
C96 Ag6 Cu1 48.4(4) . .
Cu3 Ag6 Cu1 103.17(6) . .
C83 Ag6 Cu2 45.4(4) . .
C96 Ag6 Cu2 118.7(4) . .
Cu3 Ag6 Cu2 61.61(5) . .
Cu1 Ag6 Cu2 158.88(6) . .
C83 Ag6 Ag3 88.2(5) . .
C96 Ag6 Ag3 113.6(4) . .
Cu3 Ag6 Ag3 104.05(6) . .
Cu1 Ag6 Ag3 90.45(6) . .
Cu2 Ag6 Ag3 80.20(5) . .
C96 Cu1 P1 153.0(4) . .
C96 Cu1 Ag1 101.9(4) . .
P1 Cu1 Ag1 104.97(11) . .
C96 Cu1 Ag6 40.4(5) . .
P1 Cu1 Ag6 146.23(12) . .
Ag1 Cu1 Ag6 83.17(6) . .
C83 Cu2 P2 163.4(4) . 3_665
C83 Cu2 C84 29.5(5) . .
P2 Cu2 C84 138.9(4) 3_665 .
C83 Cu2 Cu3 87.9(4) . .
P2 Cu2 Cu3 92.67(10) 3_665 .
C84 Cu2 Cu3 112.4(4) . .
C83 Cu2 Ag4 104.8(5) . .
P2 Cu2 Ag4 90.58(11) 3_665 .
C84 Cu2 Ag4 128.7(4) . .
Cu3 Cu2 Ag4 66.37(4) . .
C83 Cu2 Ag6 37.7(5) . .
P2 Cu2 Ag6 146.45(10) 3_665 .
C84 Cu2 Ag6 66.9(4) . .
Cu3 Cu2 Ag6 53.78(4) . .
Ag4 Cu2 Ag6 76.17(5) . .
C96 Cu3 P3 128.9(4) . .
C96 Cu3 C59 99.1(5) . .
P3 Cu3 C59 131.3(4) . .
C96 Cu3 Ag6 44.4(5) . .
P3 Cu3 Ag6 120.97(14) . .
C59 Cu3 Ag6 98.0(3) . .
C96 Cu3 Cu2 109.0(5) . .
P3 Cu3 Cu2 83.55(11) . .
C59 Cu3 Cu2 88.8(4) . .
Ag6 Cu3 Cu2 64.61(5) . .
C5 P1 C11 104.6(6) . .
C5 P1 C1 106.4(7) . .
C11 P1 C1 100.7(6) . .
C5 P1 Cu1 116.4(5) . .
C11 P1 Cu1 112.2(4) . .
C1 P1 Cu1 114.9(5) . .
C2 P2 C17 103.5(6) . .
C2 P2 C3 100.4(6) . .
C17 P2 C3 110.4(6) . .
C2 P2 Cu2 112.2(5) . 2_655
C17 P2 Cu2 114.0(4) . 2_655
C3 P2 Cu2 114.9(4) . 2_655
C29 P3 C4 102.4(9) . 3_665
C29 P3 C23 104.3(7) . .
C4 P3 C23 101.6(7) 3_665 .
C29 P3 Cu3 118.0(7) . .
C4 P3 Cu3 112.8(5) 3_665 .
C23 P3 Cu3 115.7(5) . .
C2 C1 P1 110.0(10) . .
C1 C2 P2 109.4(9) . .
C4 C3 P2 110.0(4) . .
C3 C4 P3 115.7(4) . 2_655
C10 C5 C6 114.9(13) . .
C10 C5 P1 124.7(12) . .
C6 C5 P1 120.1(11) . .
C7 C6 C5 123.4(15) . .
C8 C7 C6 120.3(16) . .
C7 C8 C9 117.4(17) . .
C10 C9 C8 120.9(16) . .
C5 C10 C9 122.3(14) . .
C16 C11 C12 117.7(12) . .
C16 C11 P1 118.7(9) . .
C12 C11 P1 123.5(9) . .
C13 C12 C11 122.4(14) . .
C14 C13 C12 118.9(15) . .
C13 C14 C15 119.2(16) . .
C14 C15 C16 121.5(15) . .
C11 C16 C15 120.2(12) . .
C22 C17 C18 121.0(10) . .
C22 C17 P2 120.8(11) . .
C18 C17 P2 117.6(4) . .
C19 C18 C17 119.0(10) . .
C18 C19 C20 118.4(17) . .
C19 C20 C21 123.0(19) . .
C22 C21 C20 116.6(18) . .
C21 C22 C17 121.6(17) . .
C24 C23 C28 120.0 . .
C24 C23 P3 122.3(10) . .
C28 C23 P3 117.7(10) . .
C23 C24 C25 120.0 . .
C26 C25 C24 120.0 . .
C25 C26 C27 120.0 . .
C26 C27 C28 120.0 . .
C27 C28 C23 120.0 . .
C30 C29 C34 120.0 . .
C30 C29 P3 124.6(14) . .
C34 C29 P3 115.3(14) . .
C31 C30 C29 120.0 . .
C30 C31 C32 120.0 . .
C33 C32 C31 120.0 . .
C34 C33 C32 120.0 . .
C33 C34 C29 120.0 . .
C36 C35 Ag1 168.3(12) . .
C36 C35 Ag2 102.1(11) . .
Ag1 C35 Ag2 86.4(7) . .
C36 C35 Ag4 106.3(11) . 2_655
Ag1 C35 Ag4 77.1(5) . 2_655
Ag2 C35 Ag4 112.9(6) . 2_655
C35 C36 C37 177.7(14) . .
C38 C37 C42 120.0 . .
C38 C37 C36 120.7(10) . .
C42 C37 C36 119.3(10) . .
C39 C38 C37 120.0 . .
C38 C39 C40 120.0 . .
C41 C40 C39 120.0 . .
C41 C40 C43 119.0(8) . .
C39 C40 C43 120.4(8) . .
C40 C41 C42 120.0 . .
C41 C42 C37 120.0 . .
C40 C43 C45 119.9(10) . .
C40 C43 C46 119.9(10) . .
C45 C43 C46 97.8(8) . .
C40 C43 C44 118.9(10) . .
C45 C43 C44 98.0(8) . .
C46 C43 C44 97.4(8) . .
C48 C47 Ag1 168.6(12) . .
C48 C47 Ag3 101.5(10) . .
Ag1 C47 Ag3 86.4(5) . .
C47 C48 C49 174.1(14) . .
C50 C49 C54 120.0 . .
C50 C49 C48 117.9(9) . .
C54 C49 C48 122.1(9) . .
C49 C50 C51 120.0 . .
C50 C51 C52 120.0 . .
C53 C52 C51 120.0 . .
C53 C52 C55 115.6(10) . .
C51 C52 C55 123.4(10) . .
C52 C53 C54 120.0 . .
C53 C54 C49 120.0 . .
C52 C55 C56 119.8(10) . .
C52 C55 C58 119.1(11) . .
C56 C55 C58 98.1(8) . .
C52 C55 C57 119.8(10) . .
C56 C55 C57 97.7(8) . .
C58 C55 C57 97.5(8) . .
C60 C59 Ag4 167.4(12) . .
C60 C59 Ag2 103.2(10) . .
Ag4 C59 Ag2 85.9(6) . .
C60 C59 Cu3 84.4(10) . .
Ag4 C59 Cu3 100.8(6) . .
Ag2 C59 Cu3 110.0(6) . .
C59 C60 C61 174.9(14) . .
C62 C61 C66 120.0 . .
C62 C61 C60 118.4(10) . .
C66 C61 C60 121.2(10) . .
C61 C62 C63 120.0 . .
C64 C63 C62 120.0 . .
C63 C64 C65 120.0 . .
C63 C64 C67 119.9(11) . .
C65 C64 C67 119.3(11) . .
C66 C65 C64 120.0 . .
C65 C66 C61 120.0 . .
C64 C67 C69 119.3(11) . .
C64 C67 C70 119.6(11) . .
C69 C67 C70 98.3(8) . .
C64 C67 C68 119.2(11) . .
C69 C67 C68 98.1(8) . .
C70 C67 C68 97.6(8) . .
C72 C71 Ag4 168.9(11) . .
C72 C71 Ag1 106.5(10) . 3_665
Ag4 C71 Ag1 82.6(6) . 3_665
C72 C71 Ag3 98.3(10) . .
Ag4 C71 Ag3 84.3(6) . .
Ag1 C71 Ag3 109.1(5) 3_665 .
C71 C72 C73 177.3(13) . .
C78 C73 C72 119.8(10) . .
C78 C73 C74 117.9(10) . .
C72 C73 C74 122.2(10) . .
C75 C74 C73 121.5(11) . .
C74 C75 C76 119.5(11) . .
C77 C76 C75 120.4(11) . .
C77 C76 C79 119.1(9) . .
C75 C76 C79 120.5(10) . .
C76 C77 C78 119.6(11) . .
C73 C78 C77 121.0(11) . .
C76 C79 C82 122.9(13) . .
C76 C79 C81 118.2(15) . .
C82 C79 C81 99.7(8) . .
C76 C79 C80 114.3(13) . .
C82 C79 C80 98.9(8) . .
C81 C79 C80 98.7(8) . .
C84 C83 Ag6 168.6(14) . .
C84 C83 Cu2 89.0(12) . .
Ag6 C83 Cu2 96.9(6) . .
C83 C84 C86 169.0(17) . .
C83 C84 Cu2 61.5(10) . .
C86 C84 Cu2 129.4(12) . .
C87 C86 C91 121.0(16) . .
C87 C86 C84 119.2(13) . .
C91 C86 C84 119.2(13) . .
C86 C87 C88 122.1(17) . .
C89 C88 C87 116.0(16) . .
C90 C89 C88 122.3(15) . .
C90 C89 C92 118.2(13) . .
C88 C89 C92 119.2(13) . .
C91 C90 C89 120.9(16) . .
C90 C91 C86 117.5(17) . .
C89 C92 C95 118.5(10) . .
C89 C92 C94 119.2(11) . .
C95 C92 C94 99.0(10) . .
C89 C92 C93 118.8(10) . .
C95 C92 C93 98.5(10) . .
C94 C92 C93 98.6(10) . .
C97 C96 Ag6 164.4(13) . .
C97 C96 Cu1 91.7(12) . .
Ag6 C96 Cu1 91.2(7) . .
C97 C96 Cu3 103.7(12) . .
Ag6 C96 Cu3 78.5(6) . .
Cu1 C96 Cu3 157.3(8) . .
C96 C97 C98 174.3(17) . .
C103 C98 C99 119.4(7) . .
C103 C98 C97 117.8(12) . .
C99 C98 C97 122.4(12) . .
C100 C99 C98 120.6(7) . .
C99 C100 C101 119.7(7) . .
C102 C101 C100 119.3(7) . .
C102 C101 C104 118.4(13) . .
C100 C101 C104 119.0(14) . .
C101 C102 C103 120.4(7) . .
C102 C103 C98 119.9(7) . .
C101 C104 C107 120.6(11) . .
C101 C104 C106 120.0(11) . .
C107 C104 C106 96.8(8) . .
C101 C104 C105 120.6(11) . .
C107 C104 C105 96.8(8) . .
C106 C104 C105 96.3(8) . .
C109 C108 Ag5 180.000(6) . .
C109 C108 Ag2 97.0(6) . 2_655
Ag5 C108 Ag2 83.0(6) . 2_655
C109 C108 Ag2 97.0(6) . .
Ag5 C108 Ag2 83.0(6) . .
Ag2 C108 Ag2 118.5(2) 2_655 .
C109 C108 Ag2 97.0(6) . 3_665
Ag5 C108 Ag2 83.0(6) . 3_665
Ag2 C108 Ag2 118.5(2) 2_655 3_665
Ag2 C108 Ag2 118.5(2) . 3_665
C108 C109 C110 180.000(9) . .
C111 C110 C115 57(3) . 3_665
C111 C110 C111 97(3) . 2_655
C115 C110 C111 45.6(9) 3_665 2_655
C111 C110 C115 46(3) . 2_655
C115 C110 C115 97.5 3_665 2_655
C111 C110 C115 120.0(19) 2_655 2_655
C111 C110 C115 120.0 . .
C115 C110 C115 97(3) 3_665 .
C111 C110 C115 57(3) 2_655 .
C115 C110 C115 97(3) 2_655 .
C111 C110 C111 97(3) . 3_665
C115 C110 C111 120.0(19) 3_665 3_665
C111 C110 C111 97.4 2_655 3_665
C115 C110 C111 57.2(9) 2_655 3_665
C115 C110 C111 46(3) . 3_665
C111 C110 C109 119.84(17) . .
C115 C110 C109 119.8(11) 3_665 .
C111 C110 C109 119.8(10) 2_655 .
C115 C110 C109 119.8(11) 2_655 .
C115 C110 C109 119.79(17) . .
C111 C110 C109 119.8(10) 3_665 .
C115 C111 C115 120.1(6) 2_655 3_665
C115 C111 C110 67(4) 2_655 .
C115 C111 C110 61(3) 3_665 .
C115 C111 C112 84.8(2) 2_655 .
C115 C111 C112 95.25(16) 3_665 .
C110 C111 C112 120.0 . .
C115 C111 C114 56(2) 2_655 2_655
C115 C111 C114 108.8(7) 3_665 2_655
C110 C111 C114 103(3) . 2_655
C112 C111 C114 29(2) . 2_655
C115 C111 C114 109.4(9) 2_655 3_665
C115 C111 C114 43.6(11) 3_665 3_665
C110 C111 C114 88(2) . 3_665
C112 C111 C114 51.7(10) . 3_665
C114 C111 C114 69.6(4) 2_655 3_665
C114 C112 C113 83(6) 2_655 2_655
C114 C112 C113 62(4) 2_655 .
C113 C112 C113 21(3) 2_655 .
C114 C112 C111 95.2(3) 2_655 .
C113 C112 C111 121.9(5) 2_655 .
C113 C112 C111 120.0 . .
C114 C112 C114 120(2) 2_655 3_665
C113 C112 C114 50(4) 2_655 3_665
C113 C112 C114 67(3) . 3_665
C111 C112 C114 84.8(2) . 3_665
C114 C112 C113 76(4) 2_655 3_665
C113 C112 C113 11.2(16) 2_655 3_665
C113 C112 C113 16.4(17) . 3_665
C111 C112 C113 113.1(8) . 3_665
C114 C112 C113 51(3) 3_665 3_665
C114 C112 C115 55.5(17) 2_655 2_655
C113 C112 C115 111(4) 2_655 2_655
C113 C112 C115 96(3) . 2_655
C111 C112 C115 39.7(14) . 2_655
C114 C112 C115 104.2(4) 3_665 2_655
C113 C112 C115 100(3) 3_665 2_655
C114 C112 C115 113.2(15) 2_655 3_665
C113 C112 C115 87(3) 2_655 3_665
C113 C112 C115 95(2) . 3_665
C111 C112 C115 41.2(10) . 3_665
C114 C112 C115 43.5(8) 3_665 3_665
C113 C112 C115 82(2) 3_665 3_665
C115 C112 C115 68.3(2) 2_655 3_665
C113 C113 C113 60.00(11) 2_655 3_665
C113 C113 C112 140.7(13) 2_655 3_665
C113 C113 C112 98(3) 3_665 3_665
C113 C113 C114 97(3) 2_655 2_655
C113 C113 C114 140.5(14) 3_665 2_655
C112 C113 C114 80(3) 3_665 2_655
C113 C113 C112 61.2(17) 2_655 .
C113 C113 C112 112.6(17) 3_665 .
C112 C113 C112 108(3) 3_665 .
C114 C113 C112 36(4) 2_655 .
C113 C113 C114 113.0(18) 2_655 .
C113 C113 C114 61.6(17) 3_665 .
C112 C113 C114 36(4) 3_665 .
C114 C113 C114 108(3) 2_655 .
C112 C113 C114 120.0 . .
C113 C113 C116 80.4(17) 2_655 .
C113 C113 C116 80.4(17) 3_665 .
C112 C113 C116 131(3) 3_665 .
C114 C113 C116 131(2) 2_655 .
C112 C113 C116 118.5(6) . .
C114 C113 C116 118.6(6) . .
C113 C113 C112 51(2) 2_655 2_655
C113 C113 C112 28.1(15) 3_665 2_655
C112 C113 C112 93.5(6) 3_665 2_655
C114 C113 C112 112(2) 2_655 2_655
C112 C113 C112 88(3) . 2_655
C114 C113 C112 62(3) . 2_655
C116 C113 C112 104(2) . 2_655
C113 C113 C114 28.3(16) 2_655 3_665
C113 C113 C114 51(2) 3_665 3_665
C112 C113 C114 112(2) 3_665 3_665
C114 C113 C114 93.4(6) 2_655 3_665
C112 C113 C114 62(3) . 3_665
C114 C113 C114 88(3) . 3_665
C116 C113 C114 104(2) . 3_665
C112 C113 C114 29(2) 2_655 3_665
C112 C114 C113 82(5) 3_665 3_665
C112 C114 C113 61(4) 3_665 .
C113 C114 C113 21(3) 3_665 .
C112 C114 C115 95.3(2) 3_665 .
C113 C114 C115 121.8(5) 3_665 .
C113 C114 C115 120.0 . .
C112 C114 C112 120(2) 3_665 2_655
C113 C114 C112 50(4) 3_665 2_655
C113 C114 C112 67(3) . 2_655
C115 C114 C112 84.81(18) . 2_655
C112 C114 C113 75(4) 3_665 2_655
C113 C114 C113 11.2(16) 3_665 2_655
C113 C114 C113 16.3(18) . 2_655
C115 C114 C113 113.1(8) . 2_655
C112 C114 C113 51(2) 2_655 2_655
C112 C114 C111 55.6(16) 3_665 3_665
C113 C114 C111 111(4) 3_665 3_665
C113 C114 C111 96(3) . 3_665
C115 C114 C111 39.7(14) . 3_665
C112 C114 C111 104.2(4) 2_655 3_665
C113 C114 C111 99(3) 2_655 3_665
C112 C114 C111 113.2(14) 3_665 2_655
C113 C114 C111 86(3) 3_665 2_655
C113 C114 C111 95(2) . 2_655
C115 C114 C111 41.3(9) . 2_655
C112 C114 C111 43.6(8) 2_655 2_655
C113 C114 C111 82(2) 2_655 2_655
C111 C114 C111 68.3(2) 3_665 2_655
C111 C115 C111 119.9(6) 3_665 2_655
C111 C115 C114 84.7(2) 3_665 .
C111 C115 C114 95.18(19) 2_655 .
C111 C115 C110 67(3) 3_665 .
C111 C115 C110 61(3) 2_655 .
C114 C115 C110 120.0 . .
C111 C115 C112 55.5(19) 3_665 3_665
C111 C115 C112 108.6(7) 2_655 3_665
C114 C115 C112 29(2) . 3_665
C110 C115 C112 103(3) . 3_665
C111 C115 C112 109.2(8) 3_665 2_655
C111 C115 C112 43.5(10) 2_655 2_655
C114 C115 C112 51.7(9) . 2_655
C110 C115 C112 88(2) . 2_655
C112 C115 C112 69.4(4) 3_665 2_655
C113 C116 C113 19(2) 2_655 3_665
C113 C116 C113 19(2) 2_655 .
C113 C116 C113 19(2) 3_665 .
C113 C116 C117 97.0(17) 2_655 .
C113 C116 C117 109.3(13) 3_665 .
C113 C116 C117 115.7(18) . .
C113 C116 C117 115.7(18) 2_655 2_655
C113 C116 C117 97.0(16) 3_665 2_655
C113 C116 C117 109.3(14) . 2_655
C117 C116 C117 111.4(12) . 2_655
C113 C116 C117 109.3(14) 2_655 3_665
C113 C116 C117 115.7(18) 3_665 3_665
C113 C116 C117 97.0(15) . 3_665
C117 C116 C117 111.4(12) . 3_665
C117 C116 C117 111.4(12) 2_655 3_665
C119 C118 Ag5 180.000(6) . .
C119 C118 Ag3 98.1(5) . 2_655
Ag5 C118 Ag3 81.9(5) . 2_655
C119 C118 Ag3 98.1(5) . .
Ag5 C118 Ag3 81.9(5) . .
Ag3 C118 Ag3 118.0(3) 2_655 .
C119 C118 Ag3 98.1(5) . 3_665
Ag5 C118 Ag3 81.9(5) . 3_665
Ag3 C118 Ag3 118.0(3) 2_655 3_665
Ag3 C118 Ag3 118.0(3) . 3_665
C118 C119 C120 180.000(9) . .
C121 C120 C125 52.4(12) 2_655 3_665
C121 C120 C121 97(4) 2_655 .
C125 C120 C121 50(4) 3_665 .
C121 C120 C125 50(4) 2_655 .
C125 C120 C125 97(4) 3_665 .
C121 C120 C125 120.0 . .
C121 C120 C121 97.2 2_655 3_665
C125 C120 C121 120(3) 3_665 3_665
C121 C120 C121 97(4) . 3_665
C125 C120 C121 52(4) . 3_665
C121 C120 C125 120(3) 2_655 2_655
C125 C120 C125 97.2 3_665 2_655
C121 C120 C125 52(4) . 2_655
C125 C120 C125 97(4) . 2_655
C121 C120 C125 50.3(11) 3_665 2_655
C121 C120 C119 120.0(13) 2_655 .
C125 C120 C119 120.0(16) 3_665 .
C121 C120 C119 120.02(16) . .
C125 C120 C119 119.97(16) . .
C121 C120 C119 120.0(14) 3_665 .
C125 C120 C119 120.0(15) 2_655 .
C125 C121 C125 120.1(4) 3_665 2_655
C125 C121 C122 89.6 3_665 .
C125 C121 C122 90.47(6) 2_655 .
C125 C121 C120 65(4) 3_665 .
C125 C121 C120 64(4) 2_655 .
C122 C121 C120 120.0 . .
C125 C121 C124 50(2) 3_665 3_665
C125 C121 C124 109.1(8) 2_655 3_665
C122 C121 C124 40(2) . 3_665
C120 C121 C124 96(4) . 3_665
C125 C121 C124 109.3(10) 3_665 2_655
C125 C121 C124 48(2) 2_655 2_655
C122 C121 C124 42(2) . 2_655
C120 C121 C124 94(4) . 2_655
C124 C121 C124 69.2(4) 3_665 2_655
C124 C122 C124 120.1(10) 3_665 2_655
C124 C122 C123 65(5) 3_665 .
C124 C122 C123 64(4) 2_655 .
C124 C122 C121 90.4 3_665 .
C124 C122 C121 89.53(10) 2_655 .
C123 C122 C121 120.0 . .
C124 C122 C125 49.9(17) 3_665 3_665
C124 C122 C125 108.6(6) 2_655 3_665
C123 C122 C125 96(4) . 3_665
C121 C122 C125 40.5(17) . 3_665
C124 C122 C125 109.6(9) 3_665 2_655
C124 C122 C125 48.3(15) 2_655 2_655
C123 C122 C125 95(4) . 2_655
C121 C122 C125 41.2(16) . 2_655
C125 C122 C125 69.06(14) 3_665 2_655
C122 C123 C124 53(3) 2_655 3_665
C122 C123 C122 97(4) 2_655 .
C124 C123 C122 49(5) 3_665 .
C122 C123 C124 49(4) 2_655 .
C124 C123 C124 97(5) 3_665 .
C122 C123 C124 120.0 . .
C122 C123 C122 97.20(8) 2_655 3_665
C124 C123 C122 120(3) 3_665 3_665
C122 C123 C122 97(4) . 3_665
C124 C123 C122 53(4) . 3_665
C122 C123 C124 120(3) 2_655 2_655
C124 C123 C124 97.18(8) 3_665 2_655
C122 C123 C124 53(5) . 2_655
C124 C123 C124 97(5) . 2_655
C122 C123 C124 49(3) 3_665 2_655
C122 C123 C126 120(3) 2_655 .
C124 C123 C126 120(3) 3_665 .
C122 C123 C126 120.0(5) . .
C124 C123 C126 120.0(5) . .
C122 C123 C126 120(3) 3_665 .
C124 C123 C126 120(3) 2_655 .
C122 C124 C122 119.9(10) 2_655 3_665
C122 C124 C123 65(5) 2_655 .
C122 C124 C123 63(4) 3_665 .
C122 C124 C125 90.5 2_655 .
C122 C124 C125 89.6 3_665 .
C123 C124 C125 120.0 . .
C122 C124 C121 49.9(16) 2_655 2_655
C122 C124 C121 108.6(6) 3_665 2_655
C123 C124 C121 96(4) . 2_655
C125 C124 C121 40.5(16) . 2_655
C122 C124 C121 109.6(7) 2_655 3_665
C122 C124 C121 48.3(14) 3_665 3_665
C123 C124 C121 94(3) . 3_665
C125 C124 C121 41.3(14) . 3_665
C121 C124 C121 69.07(13) 2_655 3_665
C121 C125 C121 119.9(3) 2_655 3_665
C121 C125 C124 89.53(10) 2_655 .
C121 C125 C124 90.4 3_665 .
C121 C125 C120 65(4) 2_655 .
C121 C125 C120 64(4) 3_665 .
C124 C125 C120 120.0 . .
C121 C125 C122 49.9(19) 2_655 2_655
C121 C125 C122 108.9(8) 3_665 2_655
C124 C125 C122 40(2) . 2_655
C120 C125 C122 96(4) . 2_655
C121 C125 C122 109.1(8) 2_655 3_665
C121 C125 C122 48.3(17) 3_665 3_665
C124 C125 C122 42.1(17) . 3_665
C120 C125 C122 94(3) . 3_665
C122 C125 C122 69.0(4) 2_655 3_665
C123 C126 C127 109.1(11) . 2_655
C123 C126 C127 109.0(16) . .
C127 C126 C127 109.8(10) 2_655 .
C123 C126 C127 109.2(18) . 3_665
C127 C126 C127 109.8(10) 2_655 3_665
C127 C126 C127 109.8(10) . 3_665
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 C47 1.830(14) .
Ag1 C35 1.896(18) .
Ag1 C71 2.243(15) 2_655
Ag1 Cu1 2.725(2) .
Ag1 Ag4 2.764(2) 2_655
Ag1 Ag2 2.8141(19) .
Ag1 Ag3 2.8143(17) .
Ag2 C35 2.201(15) .
Ag2 C59 2.241(14) .
Ag2 C108 2.610(4) .
Ag2 Ag4 2.7921(18) .
Ag2 Ag5 3.0354(17) .
Ag2 Ag3 3.2598(16) .
Ag3 C47 2.255(13) .
Ag3 C71 2.287(14) .
Ag3 C118 2.534(4) .
Ag3 Ag4 2.8435(17) .
Ag3 Ag5 2.9655(16) .
Ag3 Ag6 3.223(2) .
Ag4 C59 1.831(16) .
Ag4 C71 1.931(17) .
Ag4 C35 2.478(15) 3_665
Ag4 Ag1 2.764(2) 3_665
Ag4 Cu2 3.0771(19) .
Ag5 C108 1.90(3) .
Ag5 C118 1.94(2) .
Ag5 Ag3 2.9655(16) 2_655
Ag5 Ag3 2.9655(16) 3_665
Ag5 Ag2 3.0354(17) 2_655
Ag5 Ag2 3.0354(17) 3_665
Ag6 C83 1.915(18) .
Ag6 C96 1.98(2) .
Ag6 Cu3 2.777(2) .
Ag6 Cu1 3.055(2) .
Ag6 Cu2 3.1094(19) .
Cu1 C96 2.284(14) .
Cu1 P1 2.403(4) .
Cu2 C83 2.229(14) .
Cu2 P2 2.396(4) 3_665
Cu2 C84 2.535(17) .
Cu2 Cu3 3.0277(17) .
Cu3 C96 2.380(15) .
Cu3 P3 2.423(4) .
Cu3 C59 2.473(14) .
P1 C5 1.782(14) .
P1 C11 1.796(13) .
P1 C1 1.816(13) .
P2 C2 1.829(13) .
P2 C17 1.831(10) .
P2 C3 1.838(11) .
P2 Cu2 2.396(4) 2_655
P3 C29 1.773(14) .
P3 C4 1.796(12) 3_665
P3 C23 1.850(11) .
C1 C2 1.623(18) .
C3 C4 1.6037 .
C4 P3 1.796(12) 2_655
C5 C10 1.375(9) .
C5 C6 1.390(9) .
C6 C7 1.380(10) .
C7 C8 1.378(10) .
C8 C9 1.387(10) .
C9 C10 1.386(9) .
C11 C16 1.376(9) .
C11 C12 1.400(9) .
C12 C13 1.384(9) .
C13 C14 1.382(10) .
C14 C15 1.383(10) .
C15 C16 1.390(9) .
C17 C22 1.376(14) .
C17 C18 1.3898 .
C18 C19 1.373(15) .
C19 C20 1.394(17) .
C20 C21 1.394(17) .
C21 C22 1.366(17) .
C23 C24 1.3900 .
C23 C28 1.3900 .
C24 C25 1.3900 .
C25 C26 1.3900 .
C26 C27 1.3900 .
C27 C28 1.3900 .
C29 C30 1.3900 .
C29 C34 1.3900 .
C30 C31 1.3900 .
C31 C32 1.3900 .
C32 C33 1.3900 .
C33 C34 1.3900 .
C35 C36 1.274(19) .
C35 Ag4 2.478(15) 2_655
C36 C37 1.412(15) .
C37 C38 1.3900 .
C37 C42 1.3900 .
C38 C39 1.3900 .
C39 C40 1.3900 .
C40 C41 1.3900 .
C40 C43 1.514(8) .
C41 C42 1.3900 .
C43 C45 1.533(10) .
C43 C46 1.533(10) .
C43 C44 1.535(10) .
C47 C48 1.219(9) .
C48 C49 1.521(16) .
C49 C50 1.3900 .
C49 C54 1.3900 .
C50 C51 1.3900 .
C51 C52 1.3900 .
C52 C53 1.3900 .
C52 C55 1.450(18) .
C53 C54 1.3900 .
C55 C56 1.529(10) .
C55 C58 1.531(10) .
C55 C57 1.534(10) .
C59 C60 1.285(19) .
C60 C61 1.478(19) .
C61 C62 1.3900 .
C61 C66 1.3900 .
C62 C63 1.3900 .
C63 C64 1.3900 .
C64 C65 1.3900 .
C64 C67 1.447(14) .
C65 C66 1.3900 .
C67 C69 1.524(10) .
C67 C70 1.532(10) .
C67 C68 1.536(10) .
C71 C72 1.283(18) .
C71 Ag1 2.243(15) 3_665
C72 C73 1.382(16) .
C73 C78 1.381(9) .
C73 C74 1.394(9) .
C74 C75 1.370(9) .
C75 C76 1.378(9) .
C76 C77 1.375(9) .
C76 C79 1.500(9) .
C77 C78 1.384(9) .
C79 C82 1.517(9) .
C79 C81 1.517(10) .
C79 C80 1.527(10) .
C83 C84 1.25(2) .
C84 C86 1.46(2) .
C86 C87 1.375(9) .
C86 C91 1.380(9) .
C87 C88 1.381(9) .
C88 C89 1.379(10) .
C89 C90 1.376(10) .
C89 C92 1.512(10) .
C90 C91 1.374(9) .
C92 C95 1.522(10) .
C92 C94 1.526(10) .
C92 C93 1.528(10) .
C96 C97 1.227(19) .
C97 C98 1.44(2) .
C98 C103 1.385(8) .
C98 C99 1.387(8) .
C99 C100 1.378(8) .
C100 C101 1.389(9) .
C101 C102 1.382(8) .
C101 C104 1.520(10) .
C102 C103 1.385(8) .
C104 C107 1.538(10) .
C104 C106 1.547(10) .
C104 C105 1.549(10) .
C108 C109 1.26(3) .
C108 Ag2 2.610(4) 2_655
C108 Ag2 2.610(4) 3_665
C109 C110 1.40(3) .
C110 C111 1.3900 .
C110 C115 1.39(4) 3_665
C110 C111 1.39(4) 2_655
C110 C115 1.39(4) 2_655
C110 C115 1.3900 .
C110 C111 1.39(4) 3_665
C111 C115 1.08(5) 2_655
C111 C115 1.33(4) 3_665
C111 C112 1.3900 .
C111 C114 1.68(4) 2_655
C111 C114 2.01(4) 3_665
C112 C114 0.82(8) 2_655
C112 C113 1.229(15) 2_655
C112 C113 1.3900 .
C112 C114 1.58(5) 3_665
C112 C113 1.65(4) 3_665
C112 C115 1.68(3) 2_655
C112 C115 2.01(3) 3_665
C113 C113 0.51(6) 2_655
C113 C113 0.51(6) 3_665
C113 C112 1.23(5) 3_665
C113 C114 1.23(5) 2_655
C113 C114 1.3900 .
C113 C116 1.519(5) .
C113 C112 1.65(5) 2_655
C113 C114 1.65(4) 3_665
C114 C112 0.82(7) 3_665
C114 C113 1.233(15) 3_665
C114 C115 1.3900 .
C114 C112 1.58(5) 2_655
C114 C113 1.65(4) 2_655
C114 C111 1.68(3) 3_665
C114 C111 2.01(3) 2_655
C115 C111 1.08(5) 3_665
C115 C111 1.33(4) 2_655
C115 C112 1.68(4) 3_665
C115 C112 2.01(4) 2_655
C116 C113 1.519(6) 2_655
C116 C113 1.519(6) 3_665
C116 C117 1.549(6) .
C116 C117 1.549(6) 2_655
C116 C117 1.549(6) 3_665
C118 C119 1.206(10) .
C118 Ag3 2.534(4) 2_655
C118 Ag3 2.534(4) 3_665
C119 C120 1.40(3) .
C120 C121 1.39(6) 2_655
C120 C125 1.39(6) 3_665
C120 C121 1.3900 .
C120 C125 1.3901 .
C120 C121 1.39(6) 3_665
C120 C125 1.39(5) 2_655
C121 C125 1.18(7) 3_665
C121 C125 1.23(7) 2_655
C121 C122 1.3900 .
C121 C124 1.82(6) 3_665
C121 C124 1.86(6) 2_655
C122 C124 1.16(9) 3_665
C122 C124 1.25(9) 2_655
C122 C123 1.3894 .
C122 C125 1.82(5) 3_665
C122 C125 1.86(4) 2_655
C123 C122 1.39(6) 2_655
C123 C124 1.39(6) 3_665
C123 C124 1.3910 .
C123 C122 1.39(7) 3_665
C123 C124 1.39(6) 2_655
C123 C126 1.510(5) .
C124 C122 1.16(8) 2_655
C124 C122 1.25(7) 3_665
C124 C125 1.3900 .
C124 C121 1.82(4) 2_655
C124 C121 1.86(4) 3_665
C125 C121 1.18(6) 2_655
C125 C121 1.23(6) 3_665
C125 C122 1.82(5) 2_655
C125 C122 1.86(5) 3_665
C126 C127 1.551(6) 2_655
C126 C127 1.551(6) .
C126 C127 1.551(6) 3_665
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.063 -0.139 -0.002 20138 844 ' '
2 0.500 0.000 0.000 265 9 ' '
3 0.833 0.167 0.167 266 9 ' '
4 0.545 0.000 0.250 181 4 ' '
5 0.667 -0.167 0.333 265 9 ' '
6 0.500 0.000 0.500 265 9 ' '
7 0.333 0.167 0.667 265 9 ' '
8 0.455 0.000 0.750 180 4 ' '
9 0.167 -0.167 0.833 266 9 ' '
10 0.333 0.167 0.167 265 9 ' '
11 0.833 0.167 0.667 266 9 ' '
12 0.333 0.122 0.417 179 4 ' '
13 0.788 0.122 0.917 179 4 ' '
14 0.878 0.212 0.417 179 4 ' '
15 0.333 0.212 0.917 179 4 ' '
16 0.167 0.333 0.333 265 9 ' '
17 0.167 0.333 0.833 265 9 ' '
18 0.122 0.333 0.083 179 4 ' '
19 0.212 0.333 0.583 178 4 ' '
20 0.500 0.500 0.500 265 9 ' '
21 1.000 0.500 1.000 265 9 ' '
22 0.500 0.500 0.000 265 9 ' '
23 0.000 0.500 0.500 265 9 ' '
24 0.455 0.455 0.250 180 4 ' '
25 1.000 0.455 0.750 180 4 ' '
26 1.000 0.545 0.250 181 4 ' '
27 0.545 0.545 0.750 180 4 ' '
28 0.833 0.667 0.167 265 9 ' '
29 0.833 0.667 0.667 265 9 ' '
30 0.788 0.667 0.417 178 4 ' '
31 0.878 0.667 0.917 179 4 ' '
32 1.167 0.833 0.333 266 9 ' '
33 0.667 0.833 0.833 265 9 ' '
34 0.667 0.788 0.083 179 4 ' '
35 0.122 0.788 0.583 179 4 ' '
36 0.212 0.878 0.083 179 4 ' '
37 0.667 0.878 0.583 179 4 ' '
