#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:48:43 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178702 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/13/4081372.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_4081372
loop_
_publ_author_name
'Jiang, Yi'
'Wang, Yong-Tao'
'Ma, Zheng-Gen'
'Li, Zhi-Hong'
'Wei, Qiao-Hua'
'Chen, Guo-Nan'
_publ_section_title
;
 New Luminescent Ag2Au2Heteronuclear Alkynyl--Phosphine Complexes and
 Recognition of Homocysteine and Cysteine
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4919
_journal_paper_doi               10.1021/om400646p
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C108 H88 Ag2 Au2 Cl7 N3 O8 P6'
_chemical_formula_weight         2599.46
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.25(3)
_cell_angle_beta                 104.54(3)
_cell_angle_gamma                101.13(3)
_cell_formula_units_Z            2
_cell_length_a                   13.870(3)
_cell_length_b                   15.551(3)
_cell_length_c                   26.186(5)
_cell_measurement_reflns_used    15787
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.51
_cell_volume                     5341(2)
_computing_cell_refinement       HKL2000
_computing_data_collection       'Mar CCD'
_computing_data_reduction        HKL2000
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.918
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measurement_device_type  'Mar CCD 165 nm'
_diffrn_measurement_method       oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0241
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            15787
_diffrn_reflns_theta_full        24.22
_diffrn_reflns_theta_max         24.22
_diffrn_reflns_theta_min         1.34
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    3.420
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2564
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_platon_squeeze_details          ' ?'
_refine_diff_density_max         1.408
_refine_diff_density_min         -1.628
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1233
_refine_ls_number_reflns         15787
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0294
_refine_ls_R_factor_gt           0.0287
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0316P)²+24.3852P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0747
_refine_ls_wR_factor_ref         0.0757
_reflns_number_gt                15384
_reflns_number_total             15787
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400646p_si_002.cif
_cod_data_source_block           Compoumd_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        5341.6(18)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4081372
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Au1 Au 0.402635(12) 0.288031(10) 0.252235(6) 0.01436(5) Uani 1 1 d .
Au2 Au 0.508637(13) 0.469362(10) 0.250115(6) 0.01862(5) Uani 1 1 d .
Ag1 Ag 0.46033(2) 0.121766(19) 0.223306(12) 0.01512(8) Uani 1 1 d .
Ag2 Ag 0.21924(2) 0.215664(18) 0.286325(11) 0.01142(7) Uani 1 1 d .
P1 P 0.45537(8) 0.47485(6) 0.15941(4) 0.0126(2) Uani 1 1 d .
P2 P 0.59404(9) 0.49430(7) 0.33985(4) 0.0179(2) Uani 1 1 d .
P3 P 0.30310(9) 0.25192(7) 0.38136(4) 0.0139(2) Uani 1 1 d .
P4 P 0.09106(8) 0.08688(7) 0.23604(4) 0.0138(2) Uani 1 1 d .
P5 P 0.43817(9) -0.01295(7) 0.26580(4) 0.0157(2) Uani 1 1 d .
P6 P 0.43819(9) 0.13890(7) 0.12896(4) 0.0150(2) Uani 1 1 d .
Cl1 Cl -0.02588(9) -0.26711(7) 0.09300(5) 0.0244(2) Uani 1 1 d .
Cl2 Cl 0.20593(9) -0.24873(7) 0.41586(4) 0.0226(2) Uani 1 1 d .
Cl3 Cl -0.11684(16) -0.16658(13) 0.40033(7) 0.0750(7) Uani 1 1 d .
Cl4 Cl -0.14505(10) -0.25856(7) 0.23913(4) 0.0280(3) Uani 1 1 d .
Cl5 Cl 0.08417(10) -0.39335(8) -0.03367(5) 0.0317(3) Uani 1 1 d .
Cl6 Cl 0.3029(4) 0.0672(3) -0.09401(18) 0.0481(10) Uani 0.50 1 d P
Cl6' Cl 0.2816(4) 0.0749(3) -0.07201(18) 0.0460(10) Uani 0.50 1 d P
Cl7 Cl 0.42376(11) 0.27512(10) -0.03780(6) 0.0467(4) Uani 1 1 d .
O1 O 0.0811(3) -0.2582(4) 0.1145(2) 0.082(2) Uani 1 1 d .
O2 O -0.0722(5) -0.3469(3) 0.0573(2) 0.079(2) Uani 1 1 d .
O3 O -0.0754(3) -0.2705(3) 0.13510(13) 0.0351(9) Uani 1 1 d .
O4 O -0.0415(3) -0.1935(2) 0.06349(13) 0.0292(8) Uani 1 1 d .
O5 O 0.2958(3) -0.2007(3) 0.45505(16) 0.0507(12) Uani 1 1 d .
O6 O 0.2143(4) -0.2233(3) 0.36518(14) 0.0470(11) Uani 1 1 d .
O7 O 0.1162(3) -0.2253(3) 0.42503(19) 0.0503(11) Uani 1 1 d .
O8 O 0.1949(3) -0.3420(2) 0.41697(19) 0.0497(11) Uani 1 1 d .
N1 N 0.4697(3) 0.3617(2) 0.37107(13) 0.0172(8) Uani 1 1 d .
N2 N 0.4185(3) 0.3038(2) 0.13275(13) 0.0131(7) Uani 1 1 d .
N3 N 0.2505(3) 0.0120(2) 0.25028(14) 0.0148(8) Uani 1 1 d .
C1 C 0.5421(4) 0.2641(3) 0.26482(17) 0.0178(10) Uani 1 1 d .
H1C H 0.5448 0.2469 0.3007 0.021 Uiso 1 1 calc R
C01 C -0.0802(5) -0.1885(4) 0.3407(2) 0.0457(16) Uani 1 1 d .
H01A H -0.0543 -0.1339 0.3274 0.055 Uiso 1 1 calc R
H01B H -0.0275 -0.2227 0.3475 0.055 Uiso 1 1 calc R
C2 C 0.6333(3) 0.2672(3) 0.26937(17) 0.0174(9) Uani 1 1 d .
C02 C -0.1759(4) -0.2403(3) 0.30038(19) 0.0300(12) Uani 1 1 d .
H02A H -0.2297 -0.2074 0.2954 0.036 Uiso 1 1 calc R
H02B H -0.1995 -0.2962 0.3131 0.036 Uiso 1 1 calc R
C3 C 0.7395(3) 0.2776(3) 0.27056(17) 0.0182(9) Uani 1 1 d .
C03 C 0.0541(4) -0.4735(3) 0.01119(19) 0.0279(11) Uani 1 1 d .
H03A H 0.1017 -0.5126 0.0160 0.033 Uiso 1 1 calc R
H03B H 0.0603 -0.4437 0.0455 0.033 Uiso 1 1 calc R
C04 C 0.2535(5) 0.1659(4) -0.1061(3) 0.0529(17) Uani 1 1 d .
C4 C 0.8085(5) 0.2551(7) 0.3117(3) 0.076(3) Uani 1 1 d .
H4B H 0.7841 0.2246 0.3396 0.092 Uiso 1 1 calc R
C5 C 0.9125(9) 0.2889(9) 0.3205(5) 0.039(3) Uiso 0.50 1 d P
H5B H 0.9587 0.3060 0.3560 0.046 Uiso 0.50 1 calc PR
C5' C 0.9093(8) 0.2493(7) 0.3057(4) 0.024(2) Uiso 0.50 1 d P
H5'A H 0.9440 0.2037 0.3214 0.029 Uiso 0.50 1 calc PR
C05 C 0.2902(4) 0.2453(4) -0.0703(2) 0.0409(14) Uani 1 1 d .
H05A H 0.2536 0.2396 -0.0431 0.049 Uiso 1 1 calc R
H05B H 0.2718 0.2938 -0.0900 0.049 Uiso 1 1 calc R
C6 C 0.9456(4) 0.3016(3) 0.2717(2) 0.0349(13) Uani 1 1 d .
H6B H 1.0182 0.3127 0.2730 0.042 Uiso 1 1 calc R
C7 C 0.8780(4) 0.3245(4) 0.2306(2) 0.0421(15) Uani 1 1 d .
H7B H 0.9003 0.3483 0.2024 0.050 Uiso 1 1 calc R
C8 C 0.7751(4) 0.3131(4) 0.2295(2) 0.0421(15) Uani 1 1 d .
H8B H 0.7299 0.3296 0.2008 0.050 Uiso 1 1 calc R
C11 C 0.2773(3) 0.3355(3) 0.23989(16) 0.0147(9) Uani 1 1 d .
C12 C 0.2189(3) 0.3847(3) 0.23390(16) 0.0177(10) Uani 1 1 d .
C13 C 0.1568(3) 0.4482(3) 0.22737(17) 0.0147(9) Uani 1 1 d .
C14 C 0.0853(3) 0.4500(3) 0.17895(17) 0.0190(9) Uani 1 1 d .
H14A H 0.0757 0.4073 0.1512 0.023 Uiso 1 1 calc R
C15 C 0.0300(4) 0.5143(3) 0.17260(19) 0.0240(10) Uani 1 1 d .
H15A H -0.0173 0.5155 0.1405 0.029 Uiso 1 1 calc R
C16 C 0.0443(4) 0.5780(3) 0.2142(2) 0.0236(10) Uani 1 1 d .
H16A H 0.0063 0.6216 0.2097 0.028 Uiso 1 1 calc R
C17 C 0.1146(4) 0.5773(3) 0.26204(19) 0.0236(10) Uani 1 1 d .
H17A H 0.1241 0.6206 0.2894 0.028 Uiso 1 1 calc R
C18 C 0.1701(4) 0.5131(3) 0.26912(18) 0.0216(10) Uani 1 1 d .
H18A H 0.2166 0.5121 0.3015 0.026 Uiso 1 1 calc R
C21 C 0.5710(3) 0.3982(3) 0.37755(16) 0.0169(9) Uani 1 1 d .
C22 C 0.6479(4) 0.3652(3) 0.40865(17) 0.0201(10) Uani 1 1 d .
H22A H 0.7159 0.3912 0.4127 0.024 Uiso 1 1 calc R
C23 C 0.6194(4) 0.2901(3) 0.43438(17) 0.0213(10) Uani 1 1 d .
H23A H 0.6693 0.2659 0.4561 0.026 Uiso 1 1 calc R
C24 C 0.5156(4) 0.2516(3) 0.42741(17) 0.0204(10) Uani 1 1 d .
H24A H 0.4964 0.2016 0.4439 0.024 Uiso 1 1 calc R
C25 C 0.4438(3) 0.2894(3) 0.39587(16) 0.0160(9) Uani 1 1 d .
C31 C 0.3694(3) 0.2237(3) 0.10623(16) 0.0141(9) Uani 1 1 d .
C32 C 0.2750(3) 0.2087(3) 0.06910(17) 0.0193(10) Uani 1 1 d .
H32A H 0.2443 0.1529 0.0520 0.023 Uiso 1 1 calc R
C33 C 0.3739(3) 0.3711(3) 0.12223(16) 0.0154(9) Uani 1 1 d .
C34 C 0.2784(3) 0.3617(3) 0.08571(16) 0.0172(9) Uani 1 1 d .
H34A H 0.2481 0.4101 0.0794 0.021 Uiso 1 1 calc R
C35 C 0.2285(3) 0.2787(3) 0.05852(17) 0.0203(10) Uani 1 1 d .
H35A H 0.1655 0.2715 0.0339 0.024 Uiso 1 1 calc R
C41 C 0.2993(3) -0.0542(3) 0.25457(17) 0.0172(9) Uani 1 1 d .
C42 C 0.2465(4) -0.1431(3) 0.2505(2) 0.0254(11) Uani 1 1 d .
H42A H 0.2828 -0.1879 0.2534 0.031 Uiso 1 1 calc R
C43 C 0.1410(4) -0.1641(3) 0.2423(2) 0.0298(12) Uani 1 1 d .
H43A H 0.1063 -0.2223 0.2397 0.036 Uiso 1 1 calc R
C44 C 0.0904(4) -0.0966(3) 0.23824(19) 0.0234(10) Uani 1 1 d .
H44A H 0.0200 -0.1076 0.2329 0.028 Uiso 1 1 calc R
C45 C 0.1474(3) -0.0092(3) 0.24235(16) 0.0168(9) Uani 1 1 d .
C101 C 0.3865(3) 0.5587(3) 0.13967(16) 0.0162(9) Uani 1 1 d .
C102 C 0.3890(4) 0.5984(3) 0.09287(18) 0.0242(10) Uani 1 1 d .
H10A H 0.4286 0.5820 0.0718 0.029 Uiso 1 1 calc R
C103 C 0.3337(4) 0.6608(3) 0.07807(19) 0.0282(11) Uani 1 1 d .
H10B H 0.3359 0.6877 0.0472 0.034 Uiso 1 1 calc R
C104 C 0.2745(4) 0.6840(3) 0.1090(2) 0.0276(11) Uani 1 1 d .
H10C H 0.2354 0.7256 0.0985 0.033 Uiso 1 1 calc R
C105 C 0.2725(4) 0.6458(3) 0.1558(2) 0.0294(12) Uani 1 1 d .
H10D H 0.2327 0.6624 0.1767 0.035 Uiso 1 1 calc R
C106 C 0.3291(4) 0.5838(3) 0.17141(19) 0.0215(10) Uani 1 1 d .
H10E H 0.3288 0.5589 0.2031 0.026 Uiso 1 1 calc R
C111 C 0.5630(3) 0.4939(3) 0.13015(17) 0.0164(9) Uani 1 1 d .
C112 C 0.6603(4) 0.5385(3) 0.16068(18) 0.0224(10) Uani 1 1 d .
H11B H 0.6689 0.5582 0.1959 0.027 Uiso 1 1 calc R
C113 C 0.7442(4) 0.5538(3) 0.1391(2) 0.0276(11) Uani 1 1 d .
H11C H 0.8079 0.5831 0.1597 0.033 Uiso 1 1 calc R
C114 C 0.7306(4) 0.5244(3) 0.0862(2) 0.0303(12) Uani 1 1 d .
H11D H 0.7855 0.5335 0.0712 0.036 Uiso 1 1 calc R
C115 C 0.6334(4) 0.4808(3) 0.05552(19) 0.0239(10) Uani 1 1 d .
H11E H 0.6249 0.4620 0.0202 0.029 Uiso 1 1 calc R
C116 C 0.5497(4) 0.4649(3) 0.07665(17) 0.0200(10) Uani 1 1 d .
H11F H 0.4861 0.4358 0.0559 0.024 Uiso 1 1 calc R
C201 C 0.7313(4) 0.5259(3) 0.34784(18) 0.0257(11) Uani 1 1 d .
C203 C 0.8717(4) 0.5248(4) 0.3083(3) 0.0401(14) Uani 1 1 d .
H20A H 0.8947 0.5091 0.2795 0.048 Uiso 1 1 calc R
C204 C 0.9419(4) 0.5697(4) 0.3543(3) 0.054(2) Uani 1 1 d .
H20B H 1.0109 0.5845 0.3561 0.065 Uiso 1 1 calc R
C205 C 0.9068(5) 0.5915(5) 0.3968(2) 0.067(3) Uani 1 1 d .
H20C H 0.9530 0.6213 0.4274 0.080 Uiso 1 1 calc R
C206 C 0.8031(4) 0.5698(4) 0.3949(2) 0.0456(17) Uani 1 1 d .
H20D H 0.7811 0.5841 0.4242 0.055 Uiso 1 1 calc R
C208 C 0.7673(4) 0.5032(3) 0.3052(2) 0.0283(11) Uani 1 1 d .
H20E H 0.7218 0.4735 0.2744 0.034 Uiso 1 1 calc R
C211 C 0.5572(4) 0.5823(3) 0.37289(16) 0.0219(10) Uani 1 1 d .
C212 C 0.4624(4) 0.5640(3) 0.3849(2) 0.0360(13) Uani 1 1 d .
H21A H 0.4227 0.5072 0.3784 0.043 Uiso 1 1 calc R
C213 C 0.4296(5) 0.6311(3) 0.4063(2) 0.0398(14) Uani 1 1 d .
H21B H 0.3676 0.6196 0.4150 0.048 Uiso 1 1 calc R
C214 C 0.4890(5) 0.7172(3) 0.4152(2) 0.0367(14) Uani 1 1 d .
H21C H 0.4656 0.7623 0.4295 0.044 Uiso 1 1 calc R
C215 C 0.5817(5) 0.7358(3) 0.4029(2) 0.0433(16) Uani 1 1 d .
H21D H 0.6201 0.7930 0.4088 0.052 Uiso 1 1 calc R
C216 C 0.6169(5) 0.6691(3) 0.38197(19) 0.0341(13) Uani 1 1 d .
H21E H 0.6794 0.6809 0.3739 0.041 Uiso 1 1 calc R
C301 C 0.2716(3) 0.1554(3) 0.41644(16) 0.0150(9) Uani 1 1 d .
C302 C 0.2449(7) 0.1579(3) 0.4637(2) 0.061(2) Uani 1 1 d .
H30A H 0.2518 0.2116 0.4825 0.073 Uiso 1 1 calc R
C303 C 0.2076(8) 0.0798(4) 0.4832(3) 0.077(3) Uani 1 1 d .
H30B H 0.1912 0.0824 0.5154 0.093 Uiso 1 1 calc R
C304 C 0.1944(4) -0.0009(3) 0.4561(2) 0.0306(12) Uani 1 1 d .
H30C H 0.1668 -0.0521 0.4691 0.037 Uiso 1 1 calc R
C305 C 0.2223(4) -0.0046(3) 0.41010(18) 0.0239(10) Uani 1 1 d .
H30D H 0.2161 -0.0588 0.3918 0.029 Uiso 1 1 calc R
C306 C 0.2605(4) 0.0733(3) 0.39027(18) 0.0245(11) Uani 1 1 d .
H30E H 0.2791 0.0700 0.3586 0.029 Uiso 1 1 calc R
C311 C 0.2747(4) 0.3432(3) 0.41508(16) 0.0187(10) Uani 1 1 d .
C312 C 0.1896(4) 0.3738(3) 0.39141(19) 0.0237(10) Uani 1 1 d .
H31A H 0.1475 0.3470 0.3590 0.028 Uiso 1 1 calc R
C313 C 0.1661(4) 0.4449(3) 0.4159(2) 0.0330(12) Uani 1 1 d .
H31B H 0.1076 0.4651 0.4004 0.040 Uiso 1 1 calc R
C314 C 0.2310(5) 0.4858(3) 0.4641(2) 0.0354(14) Uani 1 1 d .
H31C H 0.2154 0.5338 0.4803 0.043 Uiso 1 1 calc R
C315 C 0.3159(5) 0.4572(3) 0.48761(19) 0.0405(15) Uani 1 1 d .
H31D H 0.3583 0.4855 0.5196 0.049 Uiso 1 1 calc R
C316 C 0.3396(5) 0.3859(3) 0.46403(18) 0.0318(13) Uani 1 1 d .
H31E H 0.3979 0.3659 0.4802 0.038 Uiso 1 1 calc R
C401 C -0.0292(4) 0.0489(3) 0.25482(19) 0.0233(10) Uani 1 1 d .
C402 C -0.0251(5) 0.0565(4) 0.3084(2) 0.0501(18) Uani 1 1 d .
H40A H 0.0358 0.0802 0.3335 0.060 Uiso 1 1 calc R
C403 C -0.1148(6) 0.0277(5) 0.3239(3) 0.073(3) Uani 1 1 d .
H40B H -0.1125 0.0325 0.3597 0.087 Uiso 1 1 calc R
C404 C -0.2081(5) -0.0083(4) 0.2869(3) 0.058(2) Uani 1 1 d .
H40C H -0.2667 -0.0266 0.2982 0.070 Uiso 1 1 calc R
C405 C -0.2119(4) -0.0161(3) 0.2341(3) 0.0386(14) Uani 1 1 d .
H40D H -0.2730 -0.0398 0.2091 0.046 Uiso 1 1 calc R
C406 C -0.1227(4) 0.0120(3) 0.2182(2) 0.0274(11) Uani 1 1 d .
H40E H -0.1253 0.0061 0.1824 0.033 Uiso 1 1 calc R
C411 C 0.0517(3) 0.0931(3) 0.16485(17) 0.0173(9) Uani 1 1 d .
C412 C 0.0450(3) 0.1757(3) 0.14758(18) 0.0193(9) Uani 1 1 d .
H41A H 0.0616 0.2248 0.1720 0.023 Uiso 1 1 calc R
C413 C 0.0133(4) 0.1845(3) 0.09365(18) 0.0233(10) Uani 1 1 d .
H41B H 0.0072 0.2395 0.0821 0.028 Uiso 1 1 calc R
C414 C -0.0093(4) 0.1117(3) 0.05699(18) 0.0265(11) Uani 1 1 d .
H41C H -0.0289 0.1184 0.0210 0.032 Uiso 1 1 calc R
C415 C -0.0027(4) 0.0293(3) 0.07369(19) 0.0273(11) Uani 1 1 d .
H41D H -0.0193 -0.0195 0.0490 0.033 Uiso 1 1 calc R
C416 C 0.0286(4) 0.0196(3) 0.12727(18) 0.0229(10) Uani 1 1 d .
H41E H 0.0343 -0.0356 0.1385 0.028 Uiso 1 1 calc R
C501 C 0.4812(3) -0.1044(3) 0.24099(18) 0.0189(9) Uani 1 1 d .
C502 C 0.5115(4) -0.1697(3) 0.2719(2) 0.0244(10) Uani 1 1 d .
H50A H 0.5088 -0.1685 0.3071 0.029 Uiso 1 1 calc R
C503 C 0.5454(4) -0.2360(3) 0.2505(2) 0.0284(11) Uani 1 1 d .
H50B H 0.5658 -0.2798 0.2712 0.034 Uiso 1 1 calc R
C504 C 0.5496(4) -0.2385(3) 0.1982(2) 0.0296(12) Uani 1 1 d .
H50C H 0.5739 -0.2834 0.1844 0.036 Uiso 1 1 calc R
C505 C 0.4843(3) -0.1085(3) 0.18777(19) 0.0218(10) Uani 1 1 d .
H50D H 0.4631 -0.0655 0.1666 0.026 Uiso 1 1 calc R
C506 C 0.5185(4) -0.1759(3) 0.1667(2) 0.0265(11) Uani 1 1 d .
H50E H 0.5203 -0.1786 0.1314 0.032 Uiso 1 1 calc R
C511 C 0.4893(3) -0.0040(3) 0.33715(18) 0.0180(9) Uani 1 1 d .
C512 C 0.4393(4) -0.0538(3) 0.3704(2) 0.0281(11) Uani 1 1 d .
H51A H 0.3769 -0.0922 0.3564 0.034 Uiso 1 1 calc R
C513 C 0.4851(5) -0.0443(3) 0.4245(2) 0.0328(13) Uani 1 1 d .
H51B H 0.4525 -0.0759 0.4470 0.039 Uiso 1 1 calc R
C514 C 0.5805(5) 0.0127(3) 0.4457(2) 0.0344(13) Uani 1 1 d .
H51C H 0.6101 0.0179 0.4820 0.041 Uiso 1 1 calc R
C515 C 0.6311(4) 0.0613(4) 0.4132(2) 0.0333(12) Uani 1 1 d .
H51D H 0.6947 0.0979 0.4274 0.040 Uiso 1 1 calc R
C516 C 0.5852(4) 0.0543(3) 0.35881(19) 0.0245(10) Uani 1 1 d .
H51E H 0.6172 0.0878 0.3367 0.029 Uiso 1 1 calc R
C601 C 0.5625(3) 0.1733(3) 0.11463(17) 0.0178(9) Uani 1 1 d .
C602 C 0.6367(5) 0.1289(3) 0.1360(3) 0.0417(15) Uani 1 1 d .
H60A H 0.6222 0.0819 0.1558 0.050 Uiso 1 1 calc R
C603 C 0.7352(5) 0.1538(4) 0.1284(3) 0.0454(16) Uani 1 1 d .
H60B H 0.7844 0.1220 0.1425 0.054 Uiso 1 1 calc R
C604 C 0.7600(4) 0.2248(3) 0.10027(19) 0.0258(11) Uani 1 1 d .
H60C H 0.8253 0.2409 0.0958 0.031 Uiso 1 1 calc R
C605 C 0.6873(4) 0.2704(3) 0.07941(17) 0.0187(10) Uani 1 1 d .
H60D H 0.7028 0.3185 0.0607 0.022 Uiso 1 1 calc R
C606 C 0.5884(4) 0.2446(3) 0.08606(17) 0.0192(9) Uani 1 1 d .
H60E H 0.5391 0.2758 0.0711 0.023 Uiso 1 1 calc R
C611 C 0.3681(3) 0.0384(3) 0.08610(17) 0.0169(9) Uani 1 1 d .
C612 C 0.4020(4) 0.0040(3) 0.0460(2) 0.0355(14) Uani 1 1 d .
H61A H 0.4602 0.0341 0.0379 0.043 Uiso 1 1 calc R
C613 C 0.3476(5) -0.0770(3) 0.0176(2) 0.0420(15) Uani 1 1 d .
H61B H 0.3710 -0.1000 -0.0092 0.050 Uiso 1 1 calc R
C614 C 0.2592(4) -0.1239(3) 0.02858(19) 0.0268(11) Uani 1 1 d .
H61C H 0.2248 -0.1774 0.0094 0.032 Uiso 1 1 calc R
C615 C 0.2235(3) -0.0904(3) 0.06798(17) 0.0208(10) Uani 1 1 d .
H61D H 0.1641 -0.1200 0.0752 0.025 Uiso 1 1 calc R
C616 C 0.2791(3) -0.0102(3) 0.09717(17) 0.0187(9) Uani 1 1 d .
H61E H 0.2566 0.0116 0.1246 0.022 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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
C11 Au1 C1 169.06(16) .
C11 Au1 Au2 85.92(11) .
C1 Au1 Au2 83.15(12) .
C11 Au1 Ag2 53.81(11) .
C1 Au1 Ag2 135.39(12) .
Au2 Au1 Ag2 131.69(2) .
C11 Au1 Ag1 137.20(12) .
C1 Au1 Ag1 52.42(11) .
Au2 Au1 Ag1 128.371(17) .
Ag2 Au1 Ag1 99.90(3) .
P1 Au2 P2 165.40(4) .
P1 Au2 Au1 96.73(4) .
P2 Au2 Au1 97.07(4) .
C1 Ag1 P5 126.88(11) .
C1 Ag1 P6 103.84(11) .
P5 Ag1 P6 128.11(4) .
C1 Ag1 Au1 41.82(12) .
P5 Ag1 Au1 126.45(3) .
P6 Ag1 Au1 97.41(4) .
C11 Ag2 P3 108.36(11) .
C11 Ag2 P4 119.22(10) .
P3 Ag2 P4 132.39(4) .
C11 Ag2 Au1 41.93(11) .
P3 Ag2 Au1 94.57(4) .
P4 Ag2 Au1 121.41(3) .
C101 P1 C111 106.3(2) .
C101 P1 C33 105.7(2) .
C111 P1 C33 103.32(18) .
C101 P1 Au2 114.46(14) .
C111 P1 Au2 111.37(15) .
C33 P1 Au2 114.73(14) .
C211 P2 C201 107.4(2) .
C211 P2 C21 105.6(2) .
C201 P2 C21 107.6(2) .
C211 P2 Au2 112.11(15) .
C201 P2 Au2 109.88(16) .
C21 P2 Au2 113.97(14) .
C311 P3 C301 106.82(19) .
C311 P3 C25 99.1(2) .
C301 P3 C25 110.2(2) .
C311 P3 Ag2 118.23(15) .
C301 P3 Ag2 108.77(14) .
C25 P3 Ag2 113.23(14) .
C45 P4 C411 103.6(2) .
C45 P4 C401 102.5(2) .
C411 P4 C401 104.7(2) .
C45 P4 Ag2 108.75(15) .
C411 P4 Ag2 114.92(14) .
C401 P4 Ag2 120.51(14) .
C501 P5 C511 105.3(2) .
C501 P5 C41 103.95(19) .
C511 P5 C41 104.9(2) .
C501 P5 Ag1 117.67(15) .
C511 P5 Ag1 116.58(14) .
C41 P5 Ag1 107.04(15) .
C31 P6 C611 105.7(2) .
C31 P6 C601 104.93(19) .
C611 P6 C601 108.57(19) .
C31 P6 Ag1 113.19(13) .
C611 P6 Ag1 113.40(14) .
C601 P6 Ag1 110.56(15) .
O1 Cl1 O4 107.8(3) .
O1 Cl1 O3 109.7(3) .
O4 Cl1 O3 111.1(2) .
O1 Cl1 O2 112.9(4) .
O4 Cl1 O2 107.9(3) .
O3 Cl1 O2 107.4(2) .
O6 Cl2 O8 110.5(3) .
O6 Cl2 O7 108.2(3) .
O8 Cl2 O7 108.1(3) .
O6 Cl2 O5 107.6(3) .
O8 Cl2 O5 112.2(3) .
O7 Cl2 O5 110.2(3) .
Cl6' Cl6 C04 74.5(6) .
Cl6 Cl6' C04 82.0(6) .
C25 N1 C21 119.2(4) .
C33 N2 C31 117.9(4) .
C41 N3 C45 117.0(3) .
C2 C1 Au1 166.2(4) .
C2 C1 Ag1 104.5(3) .
Au1 C1 Ag1 85.77(16) .
C2 C1 H1C 94.2 .
Au1 C1 H1C 94.2 .
Ag1 C1 H1C 94.2 .
C02 C01 Cl3 106.7(4) .
C02 C01 H01A 110.4 .
Cl3 C01 H01A 110.4 .
C02 C01 H01B 110.4 .
Cl3 C01 H01B 110.4 .
H01A C01 H01B 108.6 .
C1 C2 C3 174.0(5) .
C01 C02 Cl4 108.4(3) .
C01 C02 H02A 110.0 .
Cl4 C02 H02A 110.0 .
C01 C02 H02B 110.0 .
Cl4 C02 H02B 110.0 .
H02A C02 H02B 108.4 .
C4 C3 C8 117.3(5) .
C4 C3 C2 122.2(4) .
C8 C3 C2 120.5(4) .
C03 C03 Cl5 109.7(5) 2_545
C03 C03 H03A 109.7 2_545
Cl5 C03 H03A 109.7 .
C03 C03 H03B 109.7 2_545
Cl5 C03 H03B 109.7 .
H03A C03 H03B 108.2 .
C05 C04 Cl6' 109.8(5) .
C05 C04 Cl6 123.0(5) .
Cl6' C04 Cl6 23.46(16) .
C3 C4 C5 121.3(7) .
C3 C4 C5' 119.3(6) .
C5 C4 C5' 28.4(5) .
C3 C4 H4B 118.8 .
C5 C4 H4B 118.8 .
C5' C4 H4B 118.8 .
C5' C5 C4 81.5(15) .
C5' C5 C6 66.4(13) .
C4 C5 C6 113.9(9) .
C5' C5 H5B 123.0 .
C4 C5 H5B 123.0 .
C6 C5 H5B 123.0 .
C5 C5' C6 85.1(14) .
C5 C5' C4 70.2(14) .
C6 C5' C4 116.8(8) .
C5 C5' H5'A 121.3 .
C6 C5' H5'A 121.3 .
C4 C5' H5'A 121.3 .
C04 C05 Cl7 118.2(5) .
C04 C05 H05A 107.8 .
Cl7 C05 H05A 107.8 .
C04 C05 H05B 107.8 .
Cl7 C05 H05B 107.8 .
H05A C05 H05B 107.1 .
C7 C6 C5' 118.2(6) .
C7 C6 C5 116.0(6) .
C5' C6 C5 28.5(5) .
C7 C6 H6B 120.4 .
C5' C6 H6B 120.4 .
C5 C6 H6B 120.4 .
C6 C7 C8 121.0(5) .
C6 C7 H7B 119.5 .
C8 C7 H7B 119.5 .
C3 C8 C7 121.0(5) .
C3 C8 H8B 119.5 .
C7 C8 H8B 119.5 .
C12 C11 Au1 163.0(3) .
C12 C11 Ag2 109.7(3) .
Au1 C11 Ag2 84.26(15) .
C11 C12 C13 175.5(4) .
C14 C13 C18 119.3(4) .
C14 C13 C12 120.9(4) .
C18 C13 C12 119.7(4) .
C15 C14 C13 120.0(4) .
C15 C14 H14A 120.0 .
C13 C14 H14A 120.0 .
C14 C15 C16 119.9(4) .
C14 C15 H15A 120.0 .
C16 C15 H15A 120.0 .
C17 C16 C15 120.7(4) .
C17 C16 H16A 119.6 .
C15 C16 H16A 119.6 .
C18 C17 C16 120.1(4) .
C18 C17 H17A 120.0 .
C16 C17 H17A 120.0 .
C17 C18 C13 120.0(4) .
C17 C18 H18A 120.0 .
C13 C18 H18A 120.0 .
C22 C21 N1 122.9(4) .
C22 C21 P2 123.0(3) .
N1 C21 P2 114.1(3) .
C21 C22 C23 117.1(4) .
C21 C22 H22A 121.4 .
C23 C22 H22A 121.4 .
C22 C23 C24 120.4(4) .
C22 C23 H23A 119.8 .
C24 C23 H23A 119.8 .
C25 C24 C23 118.5(4) .
C25 C24 H24A 120.8 .
C23 C24 H24A 120.8 .
N1 C25 C24 121.9(4) .
N1 C25 P3 111.6(3) .
C24 C25 P3 126.4(3) .
N2 C31 C32 124.0(4) .
N2 C31 P6 111.3(3) .
C32 C31 P6 124.5(3) .
C35 C32 C31 117.9(4) .
C35 C32 H32A 121.0 .
C31 C32 H32A 121.0 .
N2 C33 C34 121.8(4) .
N2 C33 P1 111.4(3) .
C34 C33 P1 126.8(3) .
C33 C34 C35 119.7(4) .
C33 C34 H34A 120.1 .
C35 C34 H34A 120.1 .
C32 C35 C34 118.6(4) .
C32 C35 H35A 120.7 .
C34 C35 H35A 120.7 .
N3 C41 C42 121.7(4) .
N3 C41 P5 110.9(3) .
C42 C41 P5 127.4(4) .
C43 C42 C41 120.9(4) .
C43 C42 H42A 119.6 .
C41 C42 H42A 119.6 .
C44 C43 C42 117.9(4) .
C44 C43 H43A 121.1 .
C42 C43 H43A 121.1 .
C43 C44 C45 118.5(4) .
C43 C44 H44A 120.8 .
C45 C44 H44A 120.8 .
N3 C45 C44 124.1(4) .
N3 C45 P4 112.2(3) .
C44 C45 P4 123.7(4) .
C106 C101 C102 120.0(4) .
C106 C101 P1 118.6(3) .
C102 C101 P1 121.4(3) .
C103 C102 C101 120.2(4) .
C103 C102 H10A 119.9 .
C101 C102 H10A 119.9 .
C102 C103 C104 119.6(5) .
C102 C103 H10B 120.2 .
C104 C103 H10B 120.2 .
C103 C104 C105 120.7(5) .
C103 C104 H10C 119.7 .
C105 C104 H10C 119.7 .
C106 C105 C104 120.1(5) .
C106 C105 H10D 120.0 .
C104 C105 H10D 120.0 .
C105 C106 C101 119.4(4) .
C105 C106 H10E 120.3 .
C101 C106 H10E 120.3 .
C116 C111 C112 119.4(4) .
C116 C111 P1 120.2(3) .
C112 C111 P1 120.4(3) .
C113 C112 C111 121.4(4) .
C113 C112 H11B 119.3 .
C111 C112 H11B 119.3 .
C114 C113 C112 119.0(4) .
C114 C113 H11C 120.5 .
C112 C113 H11C 120.5 .
C113 C114 C115 119.7(4) .
C113 C114 H11D 120.2 .
C115 C114 H11D 120.2 .
C116 C115 C114 121.8(4) .
C116 C115 H11E 119.1 .
C114 C115 H11E 119.1 .
C115 C116 C111 118.8(4) .
C115 C116 H11F 120.6 .
C111 C116 H11F 120.6 .
C208 C201 C206 118.5(5) .
C208 C201 P2 117.1(3) .
C206 C201 P2 124.4(4) .
C208 C203 C204 120.8(6) .
C208 C203 H20A 119.6 .
C204 C203 H20A 119.6 .
C205 C204 C203 118.9(6) .
C205 C204 H20B 120.5 .
C203 C204 H20B 120.5 .
C204 C205 C206 121.3(5) .
C204 C205 H20C 119.3 .
C206 C205 H20C 119.3 .
C205 C206 C201 119.9(6) .
C205 C206 H20D 120.0 .
C201 C206 H20D 120.0 .
C201 C208 C203 120.5(5) .
C201 C208 H20E 119.7 .
C203 C208 H20E 119.7 .
C212 C211 C216 120.5(5) .
C212 C211 P2 117.9(3) .
C216 C211 P2 121.4(4) .
C213 C212 C211 118.9(5) .
C213 C212 H21A 120.5 .
C211 C212 H21A 120.5 .
C212 C213 C214 120.4(5) .
C212 C213 H21B 119.8 .
C214 C213 H21B 119.8 .
C215 C214 C213 120.8(5) .
C215 C214 H21C 119.6 .
C213 C214 H21C 119.6 .
C216 C215 C214 119.7(5) .
C216 C215 H21D 120.1 .
C214 C215 H21D 120.1 .
C215 C216 C211 119.6(5) .
C215 C216 H21E 120.2 .
C211 C216 H21E 120.2 .
C302 C301 C306 117.5(4) .
C302 C301 P3 124.6(3) .
C306 C301 P3 117.4(3) .
C301 C302 C303 120.0(5) .
C301 C302 H30A 120.0 .
C303 C302 H30A 120.0 .
C304 C303 C302 121.9(5) .
C304 C303 H30B 119.0 .
C302 C303 H30B 119.0 .
C305 C304 C303 118.9(5) .
C305 C304 H30C 120.6 .
C303 C304 H30C 120.6 .
C304 C305 C306 119.7(4) .
C304 C305 H30D 120.1 .
C306 C305 H30D 120.1 .
C301 C306 C305 122.0(4) .
C301 C306 H30E 119.0 .
C305 C306 H30E 119.0 .
C312 C311 C316 119.6(4) .
C312 C311 P3 118.3(3) .
C316 C311 P3 122.1(4) .
C311 C312 C313 119.9(5) .
C311 C312 H31A 120.0 .
C313 C312 H31A 120.0 .
C312 C313 C314 119.5(5) .
C312 C313 H31B 120.2 .
C314 C313 H31B 120.2 .
C315 C314 C313 121.3(5) .
C315 C314 H31C 119.4 .
C313 C314 H31C 119.4 .
C314 C315 C316 119.9(5) .
C314 C315 H31D 120.1 .
C316 C315 H31D 120.1 .
C315 C316 C311 119.8(5) .
C315 C316 H31E 120.1 .
C311 C316 H31E 120.1 .
C402 C401 C406 118.9(4) .
C402 C401 P4 117.3(4) .
C406 C401 P4 123.7(4) .
C401 C402 C403 118.6(6) .
C401 C402 H40A 120.7 .
C403 C402 H40A 120.7 .
C402 C403 C404 122.0(6) .
C402 C403 H40B 119.0 .
C404 C403 H40B 119.0 .
C405 C404 C403 119.3(5) .
C405 C404 H40C 120.4 .
C403 C404 H40C 120.4 .
C404 C405 C406 119.2(6) .
C404 C405 H40D 120.4 .
C406 C405 H40D 120.4 .
C405 C406 C401 121.9(5) .
C405 C406 H40E 119.1 .
C401 C406 H40E 119.1 .
C412 C411 C416 119.4(4) .
C412 C411 P4 116.9(3) .
C416 C411 P4 123.6(4) .
C413 C412 C411 119.7(4) .
C413 C412 H41A 120.2 .
C411 C412 H41A 120.2 .
C414 C413 C412 120.4(5) .
C414 C413 H41B 119.8 .
C412 C413 H41B 119.8 .
C415 C414 C413 120.4(4) .
C415 C414 H41C 119.8 .
C413 C414 H41C 119.8 .
C414 C415 C416 119.7(4) .
C414 C415 H41D 120.1 .
C416 C415 H41D 120.1 .
C415 C416 C411 120.3(4) .
C415 C416 H41E 119.8 .
C411 C416 H41E 119.8 .
C502 C501 C505 119.1(4) .
C502 C501 P5 123.2(4) .
C505 C501 P5 117.7(3) .
C503 C502 C501 119.6(5) .
C503 C502 H50A 120.2 .
C501 C502 H50A 120.2 .
C502 C503 C504 120.6(5) .
C502 C503 H50B 119.7 .
C504 C503 H50B 119.7 .
C506 C504 C503 120.9(4) .
C506 C504 H50C 119.6 .
C503 C504 H50C 119.6 .
C506 C505 C501 120.5(5) .
C506 C505 H50D 119.7 .
C501 C505 H50D 119.7 .
C504 C506 C505 119.2(5) .
C504 C506 H50E 120.4 .
C505 C506 H50E 120.4 .
C512 C511 C516 120.4(4) .
C512 C511 P5 122.5(4) .
C516 C511 P5 117.1(3) .
C513 C512 C511 118.7(5) .
C513 C512 H51A 120.7 .
C511 C512 H51A 120.7 .
C512 C513 C514 120.7(5) .
C512 C513 H51B 119.7 .
C514 C513 H51B 119.7 .
C515 C514 C513 121.2(5) .
C515 C514 H51C 119.4 .
C513 C514 H51C 119.4 .
C514 C515 C516 119.0(5) .
C514 C515 H51D 120.5 .
C516 C515 H51D 120.5 .
C515 C516 C511 120.0(4) .
C515 C516 H51E 120.0 .
C511 C516 H51E 120.0 .
C602 C601 C606 117.7(4) .
C602 C601 P6 117.2(3) .
C606 C601 P6 125.0(4) .
C601 C602 C603 120.4(5) .
C601 C602 H60A 119.8 .
C603 C602 H60A 119.8 .
C604 C603 C602 121.3(5) .
C604 C603 H60B 119.4 .
C602 C603 H60B 119.4 .
C605 C604 C603 118.9(5) .
C605 C604 H60C 120.6 .
C603 C604 H60C 120.6 .
C604 C605 C606 120.0(4) .
C604 C605 H60D 120.0 .
C606 C605 H60D 120.0 .
C601 C606 C605 121.7(4) .
C601 C606 H60E 119.1 .
C605 C606 H60E 119.1 .
C612 C611 C616 118.1(4) .
C612 C611 P6 123.1(3) .
C616 C611 P6 118.6(3) .
C611 C612 C613 119.5(4) .
C611 C612 H61A 120.2 .
C613 C612 H61A 120.2 .
C614 C613 C612 121.8(4) .
C614 C613 H61B 119.1 .
C612 C613 H61B 119.1 .
C615 C614 C613 119.6(4) .
C615 C614 H61C 120.2 .
C613 C614 H61C 120.2 .
C614 C615 C616 118.5(4) .
C614 C615 H61D 120.7 .
C616 C615 H61D 120.7 .
C615 C616 C611 122.4(4) .
C615 C616 H61E 118.8 .
C611 C616 H61E 118.8 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 C11 1.975(5) .
Au1 C1 1.989(5) .
Au1 Au2 2.9273(9) .
Au1 Ag2 2.9406(9) .
Au1 Ag1 2.9747(8) .
Au2 P1 2.3138(12) .
Au2 P2 2.3301(13) .
Ag1 C1 2.364(4) .
Ag1 P5 2.4140(13) .
Ag1 P6 2.4437(12) .
Ag2 C11 2.385(4) .
Ag2 P3 2.4593(13) .
Ag2 P4 2.4798(15) .
P1 C101 1.779(5) .
P1 C111 1.824(4) .
P1 C33 1.857(4) .
P2 C211 1.811(5) .
P2 C201 1.828(5) .
P2 C21 1.843(4) .
P3 C311 1.800(4) .
P3 C301 1.828(4) .
P3 C25 1.861(5) .
P4 C45 1.810(5) .
P4 C411 1.818(4) .
P4 C401 1.851(5) .
P5 C501 1.803(4) .
P5 C511 1.814(5) .
P5 C41 1.853(4) .
P6 C31 1.807(4) .
P6 C611 1.837(4) .
P6 C601 1.840(4) .
Cl1 O1 1.426(5) .
Cl1 O4 1.427(3) .
Cl1 O3 1.435(3) .
Cl1 O2 1.459(5) .
Cl2 O6 1.425(4) .
Cl2 O8 1.432(4) .
Cl2 O7 1.435(4) .
Cl2 O5 1.450(4) .
Cl3 C01 1.799(5) .
Cl4 C02 1.786(5) .
Cl5 C03 1.808(5) .
Cl6 Cl6' 0.726(4) .
Cl6 C04 1.805(7) .
Cl6' C04 1.757(8) .
Cl7 C05 1.793(6) .
N1 C25 1.354(5) .
N1 C21 1.374(6) .
N2 C33 1.320(6) .
N2 C31 1.366(5) .
N3 C41 1.330(6) .
N3 C45 1.364(6) .
C1 C2 1.233(6) .
C1 H1C 0.9800 .
C01 C02 1.530(7) .
C01 H01A 0.9700 .
C01 H01B 0.9700 .
C2 C3 1.442(6) .
C02 H02A 0.9700 .
C02 H02B 0.9700 .
C3 C4 1.357(8) .
C3 C8 1.382(7) .
C03 C03 1.522(10) 2_545
C03 H03A 0.9700 .
C03 H03B 0.9700 .
C04 C05 1.445(8) .
C4 C5 1.393(14) .
C4 C5' 1.465(12) .
C4 H4B 0.9800 .
C5 C5' 0.703(12) .
C5 C6 1.471(13) .
C5 H5B 0.9800 .
C5' C6 1.353(11) .
C5' H5'A 0.9800 .
C05 H05A 0.9700 .
C05 H05B 0.9700 .
C6 C7 1.349(8) .
C6 H6B 0.9800 .
C7 C8 1.397(8) .
C7 H7B 0.9300 .
C8 H8B 0.9300 .
C11 C12 1.206(6) .
C12 C13 1.418(7) .
C13 C14 1.405(6) .
C13 C18 1.410(6) .
C14 C15 1.364(7) .
C14 H14A 0.9300 .
C15 C16 1.393(7) .
C15 H15A 0.9300 .
C16 C17 1.383(7) .
C16 H16A 0.9300 .
C17 C18 1.365(7) .
C17 H17A 0.9300 .
C18 H18A 0.9300 .
C21 C22 1.368(7) .
C22 C23 1.411(6) .
C22 H22A 0.9300 .
C23 C24 1.412(7) .
C23 H23A 0.9300 .
C24 C25 1.368(7) .
C24 H24A 0.9300 .
C31 C32 1.393(6) .
C32 C35 1.372(7) .
C32 H32A 0.9300 .
C33 C34 1.403(6) .
C34 C35 1.410(6) .
C34 H34A 0.9300 .
C35 H35A 0.9300 .
C41 C42 1.421(6) .
C42 C43 1.395(7) .
C42 H42A 0.9300 .
C43 C44 1.366(7) .
C43 H43A 0.9300 .
C44 C45 1.420(6) .
C44 H44A 0.9300 .
C101 C106 1.381(6) .
C101 C102 1.399(6) .
C102 C103 1.361(7) .
C102 H10A 0.9300 .
C103 C104 1.372(7) .
C103 H10B 0.9300 .
C104 C105 1.387(7) .
C104 H10C 0.9300 .
C105 C106 1.369(7) .
C105 H10D 0.9300 .
C106 H10E 0.9300 .
C111 C116 1.410(6) .
C111 C112 1.412(6) .
C112 C113 1.401(7) .
C112 H11B 0.9300 .
C113 C114 1.398(7) .
C113 H11C 0.9300 .
C114 C115 1.408(7) .
C114 H11D 0.9300 .
C115 C116 1.393(7) .
C115 H11E 0.9300 .
C116 H11F 0.9300 .
C201 C208 1.392(7) .
C201 C206 1.425(7) .
C203 C208 1.402(8) .
C203 C204 1.403(9) .
C203 H20A 0.9300 .
C204 C205 1.376(11) .
C204 H20B 0.9300 .
C205 C206 1.401(9) .
C205 H20C 0.9300 .
C206 H20D 0.9300 .
C208 H20E 0.9300 .
C211 C212 1.407(8) .
C211 C216 1.417(6) .
C212 C213 1.370(8) .
C212 H21A 0.9300 .
C213 C214 1.408(7) .
C213 H21B 0.9300 .
C214 C215 1.383(9) .
C214 H21C 0.9300 .
C215 C216 1.379(8) .
C215 H21D 0.9300 .
C216 H21E 0.9300 .
C301 C302 1.378(7) .
C301 C306 1.388(6) .
C302 C303 1.394(8) .
C302 H30A 0.9300 .
C303 C304 1.373(8) .
C303 H30B 0.9300 .
C304 C305 1.358(7) .
C304 H30C 0.9300 .
C305 C306 1.400(6) .
C305 H30D 0.9300 .
C306 H30E 0.9300 .
C311 C312 1.371(7) .
C311 C316 1.420(6) .
C312 C313 1.389(7) .
C312 H31A 0.9300 .
C313 C314 1.397(8) .
C313 H31B 0.9300 .
C314 C315 1.350(9) .
C314 H31C 0.9300 .
C315 C316 1.382(7) .
C315 H31D 0.9300 .
C316 H31E 0.9300 .
C401 C402 1.390(7) .
C401 C406 1.405(7) .
C402 C403 1.401(8) .
C402 H40A 0.9300 .
C403 C404 1.404(10) .
C403 H40B 0.9300 .
C404 C405 1.371(9) .
C404 H40C 0.9300 .
C405 C406 1.400(7) .
C405 H40D 0.9300 .
C406 H40E 0.9300 .
C411 C412 1.391(6) .
C411 C416 1.410(6) .
C412 C413 1.390(7) .
C412 H41A 0.9300 .
C413 C414 1.389(7) .
C413 H41B 0.9300 .
C414 C415 1.382(7) .
C414 H41C 0.9300 .
C415 C416 1.384(7) .
C415 H41D 0.9300 .
C416 H41E 0.9300 .
C501 C502 1.387(7) .
C501 C505 1.404(6) .
C502 C503 1.369(7) .
C502 H50A 0.9300 .
C503 C504 1.384(7) .
C503 H50B 0.9300 .
C504 C506 1.365(8) .
C504 H50C 0.9300 .
C505 C506 1.381(7) .
C505 H50D 0.9300 .
C506 H50E 0.9300 .
C511 C512 1.410(6) .
C511 C516 1.424(7) .
C512 C513 1.389(8) .
C512 H51A 0.9300 .
C513 C514 1.408(8) .
C513 H51B 0.9300 .
C514 C515 1.391(8) .
C514 H51C 0.9300 .
C515 C516 1.396(7) .
C515 H51D 0.9300 .
C516 H51E 0.9300 .
C601 C602 1.366(8) .
C601 C606 1.402(6) .
C602 C603 1.413(8) .
C602 H60A 0.9300 .
C603 C604 1.388(7) .
C603 H60B 0.9300 .
C604 C605 1.360(7) .
C604 H60C 0.9300 .
C605 C606 1.408(6) .
C605 H60D 0.9300 .
C606 H60E 0.9300 .
C611 C612 1.381(6) .
C611 C616 1.420(6) .
C612 C613 1.410(7) .
C612 H61A 0.9300 .
C613 C614 1.403(7) .
C613 H61B 0.9300 .
C614 C615 1.376(7) .
C614 H61C 0.9300 .
C615 C616 1.412(6) .
C615 H61D 0.9300 .
C616 H61E 0.9300 .
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
1 0.000 0.168 0.500 256.7 28.2
2 0.352 0.676 0.293 17.6 0.1
3 0.648 0.324 0.707 17.5 0.1
