# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_agscn
_database_code_depnum_ccdc_archive 'CCDC 1529534'
loop_
_audit_author_name
_audit_author_address
'Irina Bagryanskaya'
;Vorozhtsov Institute of Organic Chemistry, Novosibirsk 
Russia
;
_audit_update_record             
;
2019-06-26 deposited with the CCDC.	2019-09-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        
"bis[2,2'-(tris(2-pyridyl)phosphine)]-dithiocyanato-di-silver(I)  chloroform solvate"
_chemical_name_common            ?
_chemical_melting_point          391
_chemical_formula_moiety         'C45 H36 Ag2 N9 P3 [+ C2 N2 S2] [+ C H Cl3]'
_chemical_formula_sum            'C48 H37 Ag2 Cl3 N11 P3 S2'
_chemical_formula_weight         1247.00

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'
Cl Cl 0.1484 0.1585 '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'
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                   13.3901(4)
_cell_length_b                   16.8437(4)
_cell_length_c                   22.8930(7)
_cell_angle_alpha                90
_cell_angle_beta                 90.5520(10)
_cell_angle_gamma                90
_cell_volume                     5163.0(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9946
_cell_measurement_theta_min      2.58
_cell_measurement_theta_max      26.33

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.604
_exptl_crystal_F_000             2496
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    1.134
_shelx_estimated_absorpt_T_min   0.549
_shelx_estimated_absorpt_T_max   0.895
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6336
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            67667
_diffrn_reflns_av_unetI/netI     0.0375
_diffrn_reflns_av_R_equivalents  0.0545
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.501
_diffrn_reflns_theta_max         27.534
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             11862
_reflns_number_gt                8461
_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)+(0.0571P)²+9.1727P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11862
_refine_ls_number_parameters     687
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0745
_refine_ls_R_factor_gt           0.0472
_refine_ls_wR_factor_ref         0.1402
_refine_ls_wR_factor_gt          0.1190
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.012
_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 0.26431(3) 0.16277(2) 0.05800(2) 0.04842(10) Uani 1 1 d . . . . .
Ag2 Ag 0.24662(3) 0.34680(2) 0.08431(2) 0.05321(11) Uani 1 1 d . . . . .
P1 P 0.39648(8) 0.29718(6) 0.14080(4) 0.0444(2) Uani 1 1 d . . . . .
P2 P 0.27631(8) 0.22473(6) -0.03713(4) 0.0430(2) Uani 1 1 d . . . . .
P3 P 0.08500(9) 0.29306(7) 0.11695(5) 0.0527(3) Uani 1 1 d . . . . .
S1 S 0.30408(12) 0.01477(7) 0.02048(6) 0.0722(4) Uani 1 1 d . . . . .
S2 S 0.17055(15) 0.49098(10) 0.10622(8) 0.0658(6) Uani 0.744(4) 1 d . . P A 1
C2C C 0.2608(14) 0.5550(8) 0.1039(7) 0.072(5) Uani 0.744(4) 1 d . . P A 1
N2C N 0.3210(10) 0.6025(6) 0.1040(5) 0.147(5) Uani 0.744(4) 1 d . . P A 1
S2' S 0.2977(6) 0.4922(4) 0.1345(3) 0.089(2) Uani 0.256(4) 1 d . . P A 2
C2C' C 0.238(4) 0.561(5) 0.098(3) 0.11(3) Uani 0.256(4) 1 d . . P A 2
N2C' N 0.212(2) 0.6183(14) 0.0742(10) 0.104(9) Uani 0.256(4) 1 d . . P A 2
N1C N 0.2289(4) -0.0960(3) 0.0985(3) 0.0899(15) Uani 1 1 d . . . . .
C1C C 0.2594(4) -0.0496(3) 0.0669(2) 0.0627(12) Uani 1 1 d . . . . .
N1 N 0.3179(3) 0.1528(2) 0.15407(14) 0.0486(8) Uani 1 1 d . . . . .
N2 N 0.3204(2) 0.37432(19) -0.00622(13) 0.0435(7) Uani 1 1 d . . . . .
N3 N 0.0855(3) 0.1424(2) 0.08082(17) 0.0585(9) Uani 1 1 d . . . . .
C1 C 0.4574(4) 0.3631(3) 0.19384(19) 0.0525(10) Uani 1 1 d . . . . .
N4 N 0.5475(5) 0.3494(5) 0.2100(3) 0.146(3) Uani 1 1 d . . . . .
C2 C 0.4052(5) 0.4218(5) 0.2174(3) 0.122(3) Uani 1 1 d . . . . .
H2A H 0.3392 0.4304 0.2061 0.146 Uiso 1 1 calc R U . . .
C3 C 0.5885(7) 0.4014(8) 0.2498(5) 0.198(7) Uani 1 1 d . . . . .
H3A H 0.6552 0.3942 0.2603 0.238 Uiso 1 1 calc R U . . .
C4 C 0.5402(6) 0.4605(4) 0.2742(3) 0.105(2) Uani 1 1 d . . . . .
H4B H 0.5707 0.4937 0.3015 0.126 Uiso 1 1 calc R U . . .
C5 C 0.4498(7) 0.4697(6) 0.2586(4) 0.149(4) Uani 1 1 d . . . . .
H5A H 0.4127 0.5101 0.2755 0.179 Uiso 1 1 calc R U . . .
C6 C 0.3718(3) 0.2070(2) 0.18305(17) 0.0457(9) Uani 1 1 d . . . . .
C7 C 0.4027(4) 0.1945(3) 0.2404(2) 0.0712(14) Uani 1 1 d . . . . .
H7A H 0.4386 0.2333 0.2606 0.085 Uiso 1 1 calc R U . . .
C8 C 0.3789(5) 0.1231(4) 0.2670(2) 0.0852(18) Uani 1 1 d . . . . .
H8A H 0.3989 0.1133 0.3054 0.102 Uiso 1 1 calc R U . . .
C9 C 0.3269(5) 0.0679(3) 0.2370(2) 0.0760(15) Uani 1 1 d . . . . .
H9A H 0.3115 0.0194 0.2541 0.091 Uiso 1 1 calc R U . . .
C10 C 0.2969(4) 0.0844(3) 0.1809(2) 0.0652(13) Uani 1 1 d . . . . .
H10A H 0.2603 0.0463 0.1606 0.078 Uiso 1 1 calc R U . . .
C11 C 0.4990(3) 0.2672(2) 0.09332(17) 0.0461(9) Uani 1 1 d . . . . .
N5 N 0.5358(3) 0.3281(2) 0.0630(2) 0.0700(12) Uani 1 1 d . . . . .
C12 C 0.5301(4) 0.1906(3) 0.0846(2) 0.0617(12) Uani 1 1 d . . . . .
H12A H 0.5027 0.1491 0.1058 0.074 Uiso 1 1 calc R U . . .
C13 C 0.6030(4) 0.1763(3) 0.0435(3) 0.0789(16) Uani 1 1 d . . . . .
H13A H 0.6256 0.1248 0.0371 0.095 Uiso 1 1 calc R U . . .
C14 C 0.6414(4) 0.2378(4) 0.0127(3) 0.0820(16) Uani 1 1 d . . . . .
H14A H 0.6899 0.2295 -0.0154 0.098 Uiso 1 1 calc R U . . .
C15 C 0.6065(5) 0.3122(4) 0.0244(3) 0.0872(18) Uani 1 1 d . . . . .
H15A H 0.6340 0.3546 0.0040 0.105 Uiso 1 1 calc R U . . .
C16 C 0.3403(3) 0.1626(2) -0.09101(19) 0.0518(10) Uani 1 1 d . . . . .
N9 N 0.4256(4) 0.1266(4) -0.0747(2) 0.0938(15) Uani 1 1 d . . . . .
C17 C 0.3109(5) 0.1626(4) -0.1462(2) 0.102(3) Uani 1 1 d . . . . .
H17A H 0.2546 0.1909 -0.1581 0.122 Uiso 1 1 calc R U . . .
C18 C 0.3641(8) 0.1209(7) -0.1843(4) 0.175(5) Uani 1 1 d . . . . .
H18A H 0.3426 0.1206 -0.2231 0.210 Uiso 1 1 calc R U . . .
C19 C 0.4467(6) 0.0792(5) -0.1706(4) 0.129(3) Uani 1 1 d . . . . .
H19A H 0.4802 0.0494 -0.1984 0.155 Uiso 1 1 calc R U . . .
C20 C 0.4780(5) 0.0826(4) -0.1159(3) 0.095(2) Uani 1 1 d . . . . .
H20A H 0.5355 0.0554 -0.1047 0.115 Uiso 1 1 calc R U . . .
C21 C 0.1485(3) 0.2367(3) -0.06526(17) 0.0494(10) Uani 1 1 d . . . . .
N6 N 0.1094(4) 0.3094(3) -0.0681(2) 0.0867(14) Uani 1 1 d . . . . .
C22 C 0.0949(4) 0.1719(3) -0.0742(3) 0.0811(17) Uani 1 1 d . . . . .
H22A H 0.1242 0.1222 -0.0693 0.097 Uiso 1 1 calc R U . . .
C23 C 0.0080(5) 0.3141(5) -0.0837(3) 0.100(2) Uani 1 1 d . . . . .
H23A H -0.0226 0.3636 -0.0862 0.120 Uiso 1 1 calc R U . . .
C24 C -0.0456(5) 0.2483(5) -0.0951(3) 0.095(2) Uani 1 1 d . . . . .
H24A H -0.1125 0.2519 -0.1061 0.114 Uiso 1 1 calc R U . . .
C25 C -0.0009(5) 0.1771(5) -0.0904(4) 0.105(2) Uani 1 1 d . . . . .
H25A H -0.0369 0.1312 -0.0984 0.126 Uiso 1 1 calc R U . . .
C26 C 0.3332(3) 0.3216(2) -0.04935(17) 0.0450(9) Uani 1 1 d . . . . .
C27 C 0.3881(5) 0.3402(3) -0.0979(2) 0.0788(17) Uani 1 1 d . . . . .
H27A H 0.3971 0.3026 -0.1272 0.095 Uiso 1 1 calc R U . . .
C28 C 0.4298(5) 0.4146(3) -0.1033(3) 0.0876(19) Uani 1 1 d . . . . .
H28A H 0.4668 0.4277 -0.1360 0.105 Uiso 1 1 calc R U . . .
C29 C 0.4160(4) 0.4688(3) -0.0598(2) 0.0683(13) Uani 1 1 d . . . . .
H29A H 0.4433 0.5195 -0.0623 0.082 Uiso 1 1 calc R U . . .
C30 C 0.3608(3) 0.4464(3) -0.01243(19) 0.0547(10) Uani 1 1 d . . . . .
H30A H 0.3509 0.4835 0.0171 0.066 Uiso 1 1 calc R U . . .
C31 C -0.0157(4) 0.3672(3) 0.1142(2) 0.0690(14) Uani 1 1 d . . . . .
N7 N -0.0591(5) 0.3899(4) 0.1628(2) 0.112(2) Uani 1 1 d . . . . .
C32 C -0.0395(6) 0.3986(5) 0.0625(2) 0.114(3) Uani 1 1 d . . . . .
H32A H -0.0064 0.3821 0.0291 0.136 Uiso 1 1 calc R U . . .
C33 C -0.1282(7) 0.4481(6) 0.1577(3) 0.146(4) Uani 1 1 d . . . . .
H33A H -0.1582 0.4661 0.1917 0.175 Uiso 1 1 calc R U . . .
C34 C -0.1564(6) 0.4816(5) 0.1074(4) 0.130(3) Uani 1 1 d . . . . .
H34A H -0.2044 0.5216 0.1064 0.156 Uiso 1 1 calc R U . . .
C35 C -0.1133(7) 0.4558(6) 0.0585(3) 0.138(4) Uani 1 1 d . . . . .
H35A H -0.1328 0.4759 0.0224 0.165 Uiso 1 1 calc R U . . .
C36 C 0.1002(3) 0.2731(3) 0.19511(17) 0.0494(10) Uani 1 1 d . . . . .
C37 C 0.1553(4) 0.3255(3) 0.2251(2) 0.0693(14) Uani 1 1 d . . . . .
H37A H 0.1818 0.3698 0.2067 0.083 Uiso 1 1 calc R U . . .
N8 N 0.0633(5) 0.2076(4) 0.2189(2) 0.110(2) Uani 1 1 d . . . . .
C38 C 0.1721(6) 0.3129(5) 0.2832(3) 0.100(2) Uani 1 1 d . . . . .
H38A H 0.2092 0.3500 0.3042 0.121 Uiso 1 1 calc R U . . .
C39 C 0.1385(7) 0.2514(5) 0.3098(3) 0.105(3) Uani 1 1 d . . . . .
H39A H 0.1505 0.2438 0.3495 0.126 Uiso 1 1 calc R U . . .
C40 C 0.0860(8) 0.1988(5) 0.2789(4) 0.129(3) Uani 1 1 d . . . . .
H40A H 0.0629 0.1537 0.2980 0.155 Uiso 1 1 calc R U . . .
C41 C 0.0229(3) 0.2034(3) 0.09049(19) 0.0587(12) Uani 1 1 d . . . . .
C42 C -0.0786(4) 0.1954(5) 0.0827(3) 0.102(2) Uani 1 1 d . . . . .
H42A H -0.1208 0.2387 0.0880 0.123 Uiso 1 1 calc R U . . .
C43 C -0.1169(5) 0.1230(5) 0.0668(3) 0.111(3) Uani 1 1 d . . . . .
H43A H -0.1853 0.1168 0.0609 0.134 Uiso 1 1 calc R U . . .
C44 C -0.0547(4) 0.0605(4) 0.0599(3) 0.0840(17) Uani 1 1 d . . . . .
H44A H -0.0797 0.0105 0.0505 0.101 Uiso 1 1 calc R U . . .
C45 C 0.0452(4) 0.0722(3) 0.0669(2) 0.0702(14) Uani 1 1 d . . . . .
H45A H 0.0877 0.0291 0.0616 0.084 Uiso 1 1 calc R U . . .
Cl1 Cl 0.3418(3) -0.1727(3) -0.29568(16) 0.1096(16) Uani 0.499(6) 1 d . . P B 1
Cl2 Cl 0.3126(4) -0.0848(2) -0.1877(2) 0.132(2) Uani 0.499(6) 1 d . . P B 1
Cl3 Cl 0.1933(7) -0.2179(7) -0.2156(4) 0.259(7) Uani 0.499(6) 1 d . . P B 1
C1S C 0.3136(11) -0.1785(9) -0.2204(6) 0.090(4) Uani 0.499(6) 1 d . . P B 1
H1S H 0.3616 -0.2132 -0.2003 0.108 Uiso 0.499(6) 1 calc R U P B 1
Cl1' Cl 0.271(2) -0.2340(13) -0.2084(11) 0.441(13) Uani 0.501(6) 1 d . U P B 2
Cl2' Cl 0.181(3) -0.118(2) -0.2425(16) 0.64(2) Uani 0.501(6) 1 d . U P B 2
Cl3' Cl 0.334(3) -0.103(2) -0.2622(19) 0.74(3) Uani 0.501(6) 1 d . U P B 2
C1S' C 0.259(4) -0.167(3) -0.272(2) 0.261(18) Uani 0.501(6) 1 d . U P B 2
H1SA H 0.2468 -0.1879 -0.3116 0.313 Uiso 0.501(6) 1 calc R U P B 2


_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 N1 2.313(3) . ?
Ag1 P2 2.4218(10) . ?
Ag1 N3 2.480(4) . ?
Ag1 S1 2.6915(12) . ?
Ag1 Ag2 3.1670(5) . ?
Ag2 N2 2.350(3) . ?
Ag2 P3 2.4683(13) . ?
Ag2 P1 2.5193(12) . ?
Ag2 S2 2.6827(15) . ?
Ag2 S2' 2.787(6) . ?
P1 C11 1.830(4) . ?
P1 C1 1.831(4) . ?
P1 C6 1.833(4) . ?
P2 C26 1.823(4) . ?
P2 C21 1.833(4) . ?
P2 C16 1.836(4) . ?
P3 C41 1.824(5) . ?
P3 C36 1.830(4) . ?
P3 C31 1.839(5) . ?
S1 C1C 1.636(6) . ?
S2 C2C 1.621(16) . ?
C2C N2C 1.135(18) . ?
S2' C2C' 1.64(7) . ?
C2C' N2C' 1.16(7) . ?
N1C C1C 1.143(7) . ?
N1 C6 1.336(5) . ?
N1 C10 1.337(5) . ?
N2 C26 1.341(5) . ?
N2 C30 1.338(5) . ?
N3 C45 1.337(6) . ?
N3 C41 1.346(6) . ?
C1 N4 1.279(7) . ?
C1 C2 1.328(8) . ?
N4 C3 1.375(10) . ?
C2 C5 1.373(9) . ?
C2 H2A 0.9300 . ?
C3 C4 1.314(12) . ?
C3 H3A 0.9300 . ?
C4 C5 1.268(10) . ?
C4 H4B 0.9300 . ?
C5 H5A 0.9300 . ?
C6 C7 1.389(6) . ?
C7 C8 1.388(7) . ?
C7 H7A 0.9300 . ?
C8 C9 1.346(8) . ?
C8 H8A 0.9300 . ?
C9 C10 1.371(7) . ?
C9 H9A 0.9300 . ?
C10 H10A 0.9300 . ?
C11 N5 1.335(5) . ?
C11 C12 1.371(6) . ?
N5 C15 1.329(7) . ?
C12 C13 1.382(7) . ?
C12 H12A 0.9300 . ?
C13 C14 1.357(8) . ?
C13 H13A 0.9300 . ?
C14 C15 1.365(8) . ?
C14 H14A 0.9300 . ?
C15 H15A 0.9300 . ?
C16 C17 1.319(7) . ?
C16 N9 1.343(7) . ?
N9 C20 1.394(8) . ?
C17 C18 1.333(9) . ?
C17 H17A 0.9300 . ?
C18 C19 1.345(11) . ?
C18 H18A 0.9300 . ?
C19 C20 1.317(10) . ?
C19 H19A 0.9300 . ?
C20 H20A 0.9300 . ?
C21 C22 1.321(7) . ?
C21 N6 1.334(6) . ?
N6 C23 1.402(8) . ?
C22 C25 1.334(9) . ?
C22 H22A 0.9300 . ?
C23 C24 1.346(10) . ?
C23 H23A 0.9300 . ?
C24 C25 1.343(10) . ?
C24 H24A 0.9300 . ?
C25 H25A 0.9300 . ?
C26 C27 1.375(6) . ?
C27 C28 1.377(7) . ?
C27 H27A 0.9300 . ?
C28 C29 1.364(7) . ?
C28 H28A 0.9300 . ?
C29 C30 1.371(6) . ?
C29 H29A 0.9300 . ?
C30 H30A 0.9300 . ?
C31 N7 1.317(6) . ?
C31 C32 1.332(7) . ?
N7 C33 1.352(8) . ?
C32 C35 1.382(9) . ?
C32 H32A 0.9300 . ?
C33 C34 1.333(10) . ?
C33 H33A 0.9300 . ?
C34 C35 1.337(10) . ?
C34 H34A 0.9300 . ?
C35 H35A 0.9300 . ?
C36 N8 1.328(7) . ?
C36 C37 1.336(7) . ?
C37 C38 1.362(8) . ?
C37 H37A 0.9300 . ?
N8 C40 1.414(10) . ?
C38 C39 1.286(10) . ?
C38 H38A 0.9300 . ?
C39 C40 1.329(11) . ?
C39 H39A 0.9300 . ?
C40 H40A 0.9300 . ?
C41 C42 1.377(7) . ?
C42 C43 1.371(10) . ?
C42 H42A 0.9300 . ?
C43 C44 1.353(9) . ?
C43 H43A 0.9300 . ?
C44 C45 1.360(7) . ?
C44 H44A 0.9300 . ?
C45 H45A 0.9300 . ?
Cl1 C1S 1.771(14) . ?
Cl2 C1S 1.748(16) . ?
Cl3 C1S 1.746(15) . ?
C1S H1S 0.9800 . ?
Cl1' C1S' 1.86(5) . ?
Cl1' Cl2' 2.43(4) . ?
Cl2' C1S' 1.50(5) . ?
Cl2' Cl3' 2.12(5) . ?
Cl3' C1S' 1.49(5) . ?
C1S' H1SA 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
N1 Ag1 P2 149.73(9) . . ?
N1 Ag1 N3 94.64(13) . . ?
P2 Ag1 N3 108.77(10) . . ?
N1 Ag1 S1 100.14(9) . . ?
P2 Ag1 S1 95.57(4) . . ?
N3 Ag1 S1 97.66(10) . . ?
N1 Ag1 Ag2 85.01(9) . . ?
P2 Ag1 Ag2 75.82(3) . . ?
N3 Ag1 Ag2 91.23(9) . . ?
S1 Ag1 Ag2 169.29(3) . . ?
N2 Ag2 P3 135.74(9) . . ?
N2 Ag2 P1 100.30(9) . . ?
P3 Ag2 P1 114.79(4) . . ?
N2 Ag2 S2 98.62(9) . . ?
P3 Ag2 S2 86.55(5) . . ?
P1 Ag2 S2 120.42(5) . . ?
N2 Ag2 S2' 94.97(16) . . ?
P3 Ag2 S2' 114.20(15) . . ?
P1 Ag2 S2' 83.62(17) . . ?
N2 Ag2 Ag1 89.57(8) . . ?
P3 Ag2 Ag1 76.47(3) . . ?
P1 Ag2 Ag1 73.28(2) . . ?
S2 Ag2 Ag1 161.96(5) . . ?
S2' Ag2 Ag1 156.89(17) . . ?
C11 P1 C1 103.2(2) . . ?
C11 P1 C6 103.01(19) . . ?
C1 P1 C6 103.53(19) . . ?
C11 P1 Ag2 112.64(13) . . ?
C1 P1 Ag2 119.14(16) . . ?
C6 P1 Ag2 113.52(14) . . ?
C26 P2 C21 103.8(2) . . ?
C26 P2 C16 102.0(2) . . ?
C21 P2 C16 105.4(2) . . ?
C26 P2 Ag1 123.71(13) . . ?
C21 P2 Ag1 107.05(13) . . ?
C16 P2 Ag1 113.20(14) . . ?
C41 P3 C36 102.6(2) . . ?
C41 P3 C31 102.7(2) . . ?
C36 P3 C31 103.4(2) . . ?
C41 P3 Ag2 126.94(14) . . ?
C36 P3 Ag2 105.90(15) . . ?
C31 P3 Ag2 112.7(2) . . ?
C1C S1 Ag1 109.36(19) . . ?
C2C S2 Ag2 108.1(6) . . ?
N2C C2C S2 176.4(14) . . ?
C2C' S2' Ag2 107(2) . . ?
N2C' C2C' S2' 166(6) . . ?
N1C C1C S1 178.4(6) . . ?
C6 N1 C10 118.4(4) . . ?
C6 N1 Ag1 125.7(3) . . ?
C10 N1 Ag1 115.8(3) . . ?
C26 N2 C30 117.9(3) . . ?
C26 N2 Ag2 125.2(3) . . ?
C30 N2 Ag2 116.5(3) . . ?
C45 N3 C41 117.7(4) . . ?
C45 N3 Ag1 117.4(3) . . ?
C41 N3 Ag1 122.2(3) . . ?
N4 C1 C2 121.0(5) . . ?
N4 C1 P1 119.7(4) . . ?
C2 C1 P1 119.2(4) . . ?
C1 N4 C3 116.5(7) . . ?
C1 C2 C5 119.3(7) . . ?
C1 C2 H2A 120.4 . . ?
C5 C2 H2A 120.4 . . ?
C4 C3 N4 124.7(8) . . ?
C4 C3 H3A 117.7 . . ?
N4 C3 H3A 117.7 . . ?
C5 C4 C3 116.4(7) . . ?
C5 C4 H4B 121.8 . . ?
C3 C4 H4B 121.8 . . ?
C4 C5 C2 122.0(7) . . ?
C4 C5 H5A 119.0 . . ?
C2 C5 H5A 119.0 . . ?
N1 C6 C7 121.4(4) . . ?
N1 C6 P1 113.8(3) . . ?
C7 C6 P1 124.8(3) . . ?
C6 C7 C8 118.6(5) . . ?
C6 C7 H7A 120.7 . . ?
C8 C7 H7A 120.7 . . ?
C9 C8 C7 119.7(5) . . ?
C9 C8 H8A 120.2 . . ?
C7 C8 H8A 120.2 . . ?
C8 C9 C10 118.9(5) . . ?
C8 C9 H9A 120.5 . . ?
C10 C9 H9A 120.5 . . ?
N1 C10 C9 123.0(5) . . ?
N1 C10 H10A 118.5 . . ?
C9 C10 H10A 118.5 . . ?
N5 C11 C12 122.2(4) . . ?
N5 C11 P1 112.3(3) . . ?
C12 C11 P1 125.3(3) . . ?
C15 N5 C11 117.4(4) . . ?
C11 C12 C13 118.8(5) . . ?
C11 C12 H12A 120.6 . . ?
C13 C12 H12A 120.6 . . ?
C14 C13 C12 119.5(5) . . ?
C14 C13 H13A 120.2 . . ?
C12 C13 H13A 120.2 . . ?
C13 C14 C15 117.9(5) . . ?
C13 C14 H14A 121.1 . . ?
C15 C14 H14A 121.1 . . ?
N5 C15 C14 124.2(5) . . ?
N5 C15 H15A 117.9 . . ?
C14 C15 H15A 117.9 . . ?
C17 C16 N9 120.7(5) . . ?
C17 C16 P2 120.4(4) . . ?
N9 C16 P2 118.2(4) . . ?
C16 N9 C20 119.0(5) . . ?
C16 C17 C18 118.1(6) . . ?
C16 C17 H17A 120.9 . . ?
C18 C17 H17A 120.9 . . ?
C17 C18 C19 124.4(7) . . ?
C17 C18 H18A 117.8 . . ?
C19 C18 H18A 117.8 . . ?
C20 C19 C18 117.0(6) . . ?
C20 C19 H19A 121.5 . . ?
C18 C19 H19A 121.5 . . ?
C19 C20 N9 120.5(6) . . ?
C19 C20 H20A 119.7 . . ?
N9 C20 H20A 119.7 . . ?
C22 C21 N6 122.6(5) . . ?
C22 C21 P2 117.9(4) . . ?
N6 C21 P2 118.8(4) . . ?
C21 N6 C23 116.3(6) . . ?
C21 C22 C25 120.5(6) . . ?
C21 C22 H22A 119.7 . . ?
C25 C22 H22A 119.7 . . ?
C24 C23 N6 121.1(7) . . ?
C24 C23 H23A 119.5 . . ?
N6 C23 H23A 119.5 . . ?
C23 C24 C25 118.9(6) . . ?
C23 C24 H24A 120.6 . . ?
C25 C24 H24A 120.6 . . ?
C22 C25 C24 120.5(7) . . ?
C22 C25 H25A 119.7 . . ?
C24 C25 H25A 119.7 . . ?
N2 C26 C27 121.2(4) . . ?
N2 C26 P2 115.0(3) . . ?
C27 C26 P2 123.8(3) . . ?
C26 C27 C28 120.0(4) . . ?
C26 C27 H27A 120.0 . . ?
C28 C27 H27A 120.0 . . ?
C29 C28 C27 119.1(5) . . ?
C29 C28 H28A 120.4 . . ?
C27 C28 H28A 120.4 . . ?
C28 C29 C30 118.1(4) . . ?
C28 C29 H29A 121.0 . . ?
C30 C29 H29A 121.0 . . ?
N2 C30 C29 123.7(4) . . ?
N2 C30 H30A 118.1 . . ?
C29 C30 H30A 118.1 . . ?
N7 C31 C32 122.2(5) . . ?
N7 C31 P3 119.8(4) . . ?
C32 C31 P3 118.0(4) . . ?
C31 N7 C33 116.4(5) . . ?
C31 C32 C35 119.9(6) . . ?
C31 C32 H32A 120.0 . . ?
C35 C32 H32A 120.0 . . ?
C34 C33 N7 124.8(6) . . ?
C34 C33 H33A 117.6 . . ?
N7 C33 H33A 117.6 . . ?
C33 C34 C35 117.6(6) . . ?
C33 C34 H34A 121.2 . . ?
C35 C34 H34A 121.2 . . ?
C34 C35 C32 119.1(6) . . ?
C34 C35 H35A 120.4 . . ?
C32 C35 H35A 120.4 . . ?
N8 C36 C37 123.0(4) . . ?
N8 C36 P3 121.0(4) . . ?
C37 C36 P3 115.9(4) . . ?
C36 C37 C38 118.9(6) . . ?
C36 C37 H37A 120.5 . . ?
C38 C37 H37A 120.5 . . ?
C36 N8 C40 114.1(6) . . ?
C39 C38 C37 122.2(7) . . ?
C39 C38 H38A 118.9 . . ?
C37 C38 H38A 118.9 . . ?
C38 C39 C40 118.0(6) . . ?
C38 C39 H39A 121.0 . . ?
C40 C39 H39A 121.0 . . ?
C39 C40 N8 123.8(6) . . ?
C39 C40 H40A 118.1 . . ?
N8 C40 H40A 118.1 . . ?
N3 C41 C42 121.3(5) . . ?
N3 C41 P3 113.9(3) . . ?
C42 C41 P3 124.8(4) . . ?
C43 C42 C41 119.2(6) . . ?
C43 C42 H42A 120.4 . . ?
C41 C42 H42A 120.4 . . ?
C44 C43 C42 119.7(6) . . ?
C44 C43 H43A 120.2 . . ?
C42 C43 H43A 120.2 . . ?
C43 C44 C45 118.6(6) . . ?
C43 C44 H44A 120.7 . . ?
C45 C44 H44A 120.7 . . ?
N3 C45 C44 123.4(5) . . ?
N3 C45 H45A 118.3 . . ?
C44 C45 H45A 118.3 . . ?
Cl3 C1S Cl2 107.7(9) . . ?
Cl3 C1S Cl1 106.8(8) . . ?
Cl2 C1S Cl1 111.7(8) . . ?
Cl3 C1S H1S 110.2 . . ?
Cl2 C1S H1S 110.2 . . ?
Cl1 C1S H1S 110.2 . . ?
C1S' Cl1' Cl2' 38.1(17) . . ?
C1S' Cl2' Cl3' 45(2) . . ?
C1S' Cl2' Cl1' 50(2) . . ?
Cl3' Cl2' Cl1' 71.5(17) . . ?
C1S' Cl3' Cl2' 45(2) . . ?
Cl3' C1S' Cl2' 90(3) . . ?
Cl3' C1S' Cl1' 105(3) . . ?
Cl2' C1S' Cl1' 92(3) . . ?
Cl3' C1S' H1SA 120.7 . . ?
Cl2' C1S' H1SA 120.7 . . ?
Cl1' C1S' H1SA 120.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag2 S2' C2C' N2C' -146(20) . . . . ?
C11 P1 C1 N4 -33.8(6) . . . . ?
C6 P1 C1 N4 73.3(6) . . . . ?
Ag2 P1 C1 N4 -159.6(6) . . . . ?
C11 P1 C1 C2 149.9(6) . . . . ?
C6 P1 C1 C2 -103.0(6) . . . . ?
Ag2 P1 C1 C2 24.2(6) . . . . ?
C2 C1 N4 C3 -3.9(14) . . . . ?
P1 C1 N4 C3 179.9(8) . . . . ?
N4 C1 C2 C5 1.7(13) . . . . ?
P1 C1 C2 C5 177.9(8) . . . . ?
C1 N4 C3 C4 3.8(19) . . . . ?
N4 C3 C4 C5 -1(2) . . . . ?
C3 C4 C5 C2 -1.5(18) . . . . ?
C1 C2 C5 C4 1.2(17) . . . . ?
C10 N1 C6 C7 -2.3(7) . . . . ?
Ag1 N1 C6 C7 -178.2(4) . . . . ?
C10 N1 C6 P1 179.2(4) . . . . ?
Ag1 N1 C6 P1 3.3(5) . . . . ?
C11 P1 C6 N1 -79.1(3) . . . . ?
C1 P1 C6 N1 173.6(3) . . . . ?
Ag2 P1 C6 N1 43.0(3) . . . . ?
C11 P1 C6 C7 102.5(4) . . . . ?
C1 P1 C6 C7 -4.8(5) . . . . ?
Ag2 P1 C6 C7 -135.4(4) . . . . ?
N1 C6 C7 C8 1.9(8) . . . . ?
P1 C6 C7 C8 -179.8(5) . . . . ?
C6 C7 C8 C9 -0.1(10) . . . . ?
C7 C8 C9 C10 -1.1(10) . . . . ?
C6 N1 C10 C9 1.0(8) . . . . ?
Ag1 N1 C10 C9 177.4(5) . . . . ?
C8 C9 C10 N1 0.7(9) . . . . ?
C1 P1 C11 N5 -65.6(4) . . . . ?
C6 P1 C11 N5 -173.1(3) . . . . ?
Ag2 P1 C11 N5 64.2(4) . . . . ?
C1 P1 C11 C12 120.3(4) . . . . ?
C6 P1 C11 C12 12.8(4) . . . . ?
Ag2 P1 C11 C12 -109.9(4) . . . . ?
C12 C11 N5 C15 -1.6(8) . . . . ?
P1 C11 N5 C15 -175.9(5) . . . . ?
N5 C11 C12 C13 0.9(8) . . . . ?
P1 C11 C12 C13 174.5(4) . . . . ?
C11 C12 C13 C14 -0.4(9) . . . . ?
C12 C13 C14 C15 0.7(10) . . . . ?
C11 N5 C15 C14 2.0(10) . . . . ?
C13 C14 C15 N5 -1.6(11) . . . . ?
C26 P2 C16 C17 -81.0(6) . . . . ?
C21 P2 C16 C17 27.1(6) . . . . ?
Ag1 P2 C16 C17 143.8(5) . . . . ?
C26 P2 C16 N9 89.4(5) . . . . ?
C21 P2 C16 N9 -162.4(4) . . . . ?
Ag1 P2 C16 N9 -45.7(5) . . . . ?
C17 C16 N9 C20 -6.2(10) . . . . ?
P2 C16 N9 C20 -176.7(5) . . . . ?
N9 C16 C17 C18 5.1(12) . . . . ?
P2 C16 C17 C18 175.3(8) . . . . ?
C16 C17 C18 C19 -0.7(19) . . . . ?
C17 C18 C19 C20 -2.3(19) . . . . ?
C18 C19 C20 N9 1.1(15) . . . . ?
C16 N9 C20 C19 3.0(11) . . . . ?
C26 P2 C21 C22 165.5(4) . . . . ?
C16 P2 C21 C22 58.6(5) . . . . ?
Ag1 P2 C21 C22 -62.2(5) . . . . ?
C26 P2 C21 N6 -23.5(4) . . . . ?
C16 P2 C21 N6 -130.4(4) . . . . ?
Ag1 P2 C21 N6 108.8(4) . . . . ?
C22 C21 N6 C23 -2.6(8) . . . . ?
P2 C21 N6 C23 -173.1(4) . . . . ?
N6 C21 C22 C25 4.3(10) . . . . ?
P2 C21 C22 C25 174.9(6) . . . . ?
C21 N6 C23 C24 -0.2(10) . . . . ?
N6 C23 C24 C25 1.2(11) . . . . ?
C21 C22 C25 C24 -3.1(12) . . . . ?
C23 C24 C25 C22 0.5(12) . . . . ?
C30 N2 C26 C27 1.4(7) . . . . ?
Ag2 N2 C26 C27 -171.8(4) . . . . ?
C30 N2 C26 P2 179.7(3) . . . . ?
Ag2 N2 C26 P2 6.4(4) . . . . ?
C21 P2 C26 N2 87.3(3) . . . . ?
C16 P2 C26 N2 -163.2(3) . . . . ?
Ag1 P2 C26 N2 -34.4(4) . . . . ?
C21 P2 C26 C27 -94.5(5) . . . . ?
C16 P2 C26 C27 15.0(5) . . . . ?
Ag1 P2 C26 C27 143.8(4) . . . . ?
N2 C26 C27 C28 -0.9(9) . . . . ?
P2 C26 C27 C28 -179.1(5) . . . . ?
C26 C27 C28 C29 0.2(11) . . . . ?
C27 C28 C29 C30 0.0(10) . . . . ?
C26 N2 C30 C29 -1.2(7) . . . . ?
Ag2 N2 C30 C29 172.6(4) . . . . ?
C28 C29 C30 N2 0.5(9) . . . . ?
C41 P3 C31 N7 104.2(6) . . . . ?
C36 P3 C31 N7 -2.3(7) . . . . ?
Ag2 P3 C31 N7 -116.2(6) . . . . ?
C41 P3 C31 C32 -78.4(7) . . . . ?
C36 P3 C31 C32 175.1(6) . . . . ?
Ag2 P3 C31 C32 61.2(7) . . . . ?
C32 C31 N7 C33 -1.2(13) . . . . ?
P3 C31 N7 C33 176.1(7) . . . . ?
N7 C31 C32 C35 -1.4(14) . . . . ?
P3 C31 C32 C35 -178.7(7) . . . . ?
C31 N7 C33 C34 1.9(16) . . . . ?
N7 C33 C34 C35 0.0(18) . . . . ?
C33 C34 C35 C32 -2.7(17) . . . . ?
C31 C32 C35 C34 3.4(16) . . . . ?
C41 P3 C36 N8 -3.8(5) . . . . ?
C31 P3 C36 N8 102.7(5) . . . . ?
Ag2 P3 C36 N8 -138.6(4) . . . . ?
C41 P3 C36 C37 172.1(4) . . . . ?
C31 P3 C36 C37 -81.4(4) . . . . ?
Ag2 P3 C36 C37 37.3(4) . . . . ?
N8 C36 C37 C38 -2.2(9) . . . . ?
P3 C36 C37 C38 -178.0(5) . . . . ?
C37 C36 N8 C40 1.1(9) . . . . ?
P3 C36 N8 C40 176.7(6) . . . . ?
C36 C37 C38 C39 1.5(11) . . . . ?
C37 C38 C39 C40 0.2(12) . . . . ?
C38 C39 C40 N8 -1.4(14) . . . . ?
C36 N8 C40 C39 0.8(13) . . . . ?
C45 N3 C41 C42 -4.1(8) . . . . ?
Ag1 N3 C41 C42 156.7(5) . . . . ?
C45 N3 C41 P3 173.6(4) . . . . ?
Ag1 N3 C41 P3 -25.6(5) . . . . ?
C36 P3 C41 N3 -81.5(4) . . . . ?
C31 P3 C41 N3 171.3(3) . . . . ?
Ag2 P3 C41 N3 39.8(4) . . . . ?
C36 P3 C41 C42 96.1(6) . . . . ?
C31 P3 C41 C42 -11.1(6) . . . . ?
Ag2 P3 C41 C42 -142.6(5) . . . . ?
N3 C41 C42 C43 2.5(10) . . . . ?
P3 C41 C42 C43 -175.0(6) . . . . ?
C41 C42 C43 C44 0.8(12) . . . . ?
C42 C43 C44 C45 -2.3(12) . . . . ?
C41 N3 C45 C44 2.5(8) . . . . ?
Ag1 N3 C45 C44 -159.1(5) . . . . ?
C43 C44 C45 N3 0.6(10) . . . . ?
Cl2' Cl3' C1S' Cl1' -92(4) . . . . ?
Cl1' Cl2' C1S' Cl3' -105(3) . . . . ?
Cl3' Cl2' C1S' Cl1' 105(3) . . . . ?
Cl2' Cl1' C1S' Cl3' 91(4) . . . . ?

_refine_diff_density_max         1.125
_refine_diff_density_min         -0.891
_refine_diff_density_rms         0.085



####################################################################### 
# 
# 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_agncs2
_database_code_depnum_ccdc_archive 'CCDC 1529535'
loop_
_audit_author_name
_audit_author_address
'Irina Bagryanskaya'
;Vorozhtsov Institute of Organic Chemistry, Novosibirsk
Russia
;
_audit_update_record             
;
2019-06-26 deposited with the CCDC.	2019-09-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        
; 
 Tris[tris(2-pyridyl)phosphine)thiocyanato-silver(I)]  
;
_chemical_name_common            ?
_chemical_melting_point          457
_chemical_formula_moiety         'C46 H36 Ag N10 P3 S'
_chemical_formula_sum            'C46 H36 Ag N10 P3 S'
_chemical_formula_weight         961.69

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

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_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'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'

_cell_length_a                   10.8909(2)
_cell_length_b                   15.2773(4)
_cell_length_c                   26.0826(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4339.72(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9984
_cell_measurement_theta_min      2.30
_cell_measurement_theta_max      28.57

_exptl_crystal_description       needle-prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_F_000             1960
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.670
_shelx_estimated_absorpt_T_min   0.731
_shelx_estimated_absorpt_T_max   0.936
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6842
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            55914
_diffrn_reflns_av_unetI/netI     0.0380
_diffrn_reflns_av_R_equivalents  0.0448
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         2.297
_diffrn_reflns_theta_max         30.033
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.920
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             11712
_reflns_number_gt                10296
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.739
_reflns_Friedel_fraction_max     0.871
_reflns_Friedel_fraction_full    1.000

_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)+(0.0278P)²+1.7430P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 4044 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.021(7)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         11712
_refine_ls_number_parameters     550
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0397
_refine_ls_R_factor_gt           0.0306
_refine_ls_wR_factor_ref         0.0690
_refine_ls_wR_factor_gt          0.0648
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_restrained_S_all      1.015
_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 0.81355(2) 0.49768(2) 0.09247(2) 0.02291(6) Uani 1 1 d . . . . .
S1R S 1.05320(6) 0.50192(7) 0.09875(3) 0.03435(16) Uani 1 1 d . . . . .
P1 P 0.76345(8) 0.44030(5) 0.00538(3) 0.02692(17) Uani 1 1 d . . . . .
P2 P 0.73518(7) 0.39644(5) 0.16069(3) 0.02206(15) Uani 1 1 d . . . . .
P3 P 0.72296(7) 0.64726(5) 0.10711(3) 0.02360(16) Uani 1 1 d . . . . .
N1R N 1.0912(3) 0.5009(3) 0.20570(12) 0.0484(7) Uani 1 1 d . . . . .
C1R C 1.0744(3) 0.5002(2) 0.16192(13) 0.0331(6) Uani 1 1 d . . . . .
C1 C 0.6215(3) 0.4880(2) -0.02010(11) 0.0301(7) Uani 1 1 d . . . . .
N1 N 0.6192(3) 0.5170(3) -0.06820(12) 0.0563(10) Uani 1 1 d . . . . .
C2 C 0.5139(5) 0.5529(4) -0.08373(18) 0.0696(15) Uani 1 1 d . . . . .
H4 H 0.5105 0.5744 -0.1179 0.084 Uiso 1 1 calc R U . . .
N2 N 0.8983(3) 0.3855(2) -0.07751(13) 0.0494(9) Uani 1 1 d . . . . .
N3 N 0.8046(3) 0.27589(19) 0.03454(11) 0.0323(6) Uani 1 1 d . . . . .
C3 C 0.4102(4) 0.5612(3) -0.05445(17) 0.0530(11) Uani 1 1 d . . . . .
H3 H 0.3381 0.5878 -0.0678 0.064 Uiso 1 1 calc R U . . .
N4 N 0.5373(3) 0.3399(2) 0.11138(13) 0.0459(8) Uani 1 1 d . . . . .
C4 C 0.4136(3) 0.5298(2) -0.00493(16) 0.0426(9) Uani 1 1 d . . . . .
H2 H 0.3434 0.5332 0.0166 0.051 Uiso 1 1 calc R U . . .
N5 N 0.7445(3) 0.22224(18) 0.18766(11) 0.0329(6) Uani 1 1 d . . . . .
C5 C 0.5219(3) 0.4933(3) 0.01242(12) 0.0367(7) Uani 1 1 d . . . . .
H1 H 0.5277 0.4720 0.0465 0.044 Uiso 1 1 calc R U . . .
N6 N 0.7549(3) 0.53052(19) 0.22556(12) 0.0395(8) Uani 1 1 d . . . . .
C6 C 0.8740(4) 0.4528(3) -0.04712(14) 0.0396(9) Uani 1 1 d . . . . .
C7 C 0.9357(6) 0.5301(3) -0.0512(2) 0.086(2) Uani 1 1 d . . . . .
H7A H 0.9204 0.5763 -0.0276 0.103 Uiso 1 1 calc R U . . .
N7 N 0.7664(3) 0.80956(17) 0.14785(12) 0.0342(6) Uani 1 1 d . . . . .
C8 C 1.0221(7) 0.5406(4) -0.0905(3) 0.116(3) Uani 1 1 d . . . . .
H8 H 1.0664 0.5938 -0.0943 0.139 Uiso 1 1 calc R U . . .
C9 C 1.0406(5) 0.4724(4) -0.1230(2) 0.0840(19) Uani 1 1 d . . . . .
H7 H 1.0944 0.4781 -0.1515 0.101 Uiso 1 1 calc R U . . .
N9 N 0.4902(3) 0.5991(2) 0.11609(12) 0.0425(8) Uani 1 1 d . . . . .
C10 C 0.9815(5) 0.3968(4) -0.11431(17) 0.0651(13) Uani 1 1 d . . . . .
H6 H 1.0002 0.3484 -0.1357 0.078 Uiso 1 1 calc R U . . .
C11 C 0.7300(3) 0.3225(2) 0.00475(12) 0.0260(6) Uani 1 1 d . . . . .
C12 C 0.6328(3) 0.2861(2) -0.02235(14) 0.0386(8) Uani 1 1 d . . . . .
H12 H 0.5812 0.3218 -0.0429 0.046 Uiso 1 1 calc R U . . .
C13 C 0.6125(4) 0.1971(3) -0.01885(17) 0.0460(10) Uani 1 1 d . . . . .
H13 H 0.5474 0.1703 -0.0373 0.055 Uiso 1 1 calc R U . . .
C14 C 0.6885(4) 0.1481(2) 0.01185(15) 0.0449(9) Uani 1 1 d . . . . .
H11 H 0.6760 0.0869 0.0155 0.054 Uiso 1 1 calc R U . . .
C15 C 0.7833(4) 0.1892(2) 0.03737(15) 0.0413(9) Uani 1 1 d . . . . .
H10 H 0.8362 0.1546 0.0580 0.050 Uiso 1 1 calc R U . . .
C16 C 0.5711(3) 0.3704(2) 0.15745(12) 0.0260(7) Uani 1 1 d . . . . .
C19 C 0.3294(4) 0.3392(3) 0.1409(2) 0.0591(12) Uani 1 1 d . . . . .
H17A H 0.2450 0.3282 0.1341 0.071 Uiso 1 1 calc R U . . .
C17 C 0.4898(4) 0.3876(3) 0.19618(15) 0.0504(10) Uani 1 1 d . . . . .
H15 H 0.5166 0.4101 0.2282 0.060 Uiso 1 1 calc R U . . .
C18 C 0.3657(4) 0.3707(4) 0.1867(2) 0.0689(16) Uani 1 1 d . . . . .
H14 H 0.3066 0.3815 0.2127 0.083 Uiso 1 1 calc R U . . .
C20 C 0.4173(4) 0.3234(3) 0.10429(19) 0.0581(12) Uani 1 1 d . . . . .
H16 H 0.3919 0.2996 0.0723 0.070 Uiso 1 1 calc R U . . .
C21 C 0.8080(3) 0.28885(19) 0.16736(11) 0.0234(6) Uani 1 1 d . . . . .
C22 C 0.9295(3) 0.2800(2) 0.15112(13) 0.0308(7) Uani 1 1 d . . . . .
H22A H 0.9717 0.3279 0.1360 0.037 Uiso 1 1 calc R U . . .
C23 C 0.9874(3) 0.2001(2) 0.15748(14) 0.0380(8) Uani 1 1 d . . . . .
H17 H 1.0702 0.1923 0.1469 0.046 Uiso 1 1 calc R U . . .
C24 C 0.9232(3) 0.1319(2) 0.17934(14) 0.0372(8) Uani 1 1 d . . . . .
H18 H 0.9610 0.0767 0.1848 0.045 Uiso 1 1 calc R U . . .
C25 C 0.8031(4) 0.1459(2) 0.19309(14) 0.0361(8) Uani 1 1 d . . . . .
H19 H 0.7588 0.0982 0.2074 0.043 Uiso 1 1 calc R U . . .
C26 C 0.7510(3) 0.4429(2) 0.22521(12) 0.0272(7) Uani 1 1 d . . . . .
C27 C 0.7549(4) 0.3937(3) 0.26945(14) 0.0421(9) Uani 1 1 d . . . . .
H27A H 0.7519 0.3316 0.2680 0.051 Uiso 1 1 calc R U . . .
C28 C 0.7631(4) 0.4365(3) 0.31585(15) 0.0550(12) Uani 1 1 d . . . . .
H21 H 0.7648 0.4041 0.3469 0.066 Uiso 1 1 calc R U . . .
C29 C 0.7687(4) 0.5257(3) 0.31679(15) 0.0529(11) Uani 1 1 d . . . . .
H20 H 0.7761 0.5563 0.3483 0.063 Uiso 1 1 calc R U . . .
C30 C 0.7634(5) 0.5701(3) 0.27125(17) 0.0554(12) Uani 1 1 d . . . . .
H22 H 0.7659 0.6322 0.2721 0.066 Uiso 1 1 calc R U . . .
C31 C 0.8103(3) 0.72710(19) 0.14517(12) 0.0255(6) Uani 1 1 d . . . . .
C32 C 0.9111(3) 0.6998(2) 0.17210(14) 0.0367(8) Uani 1 1 d . . . . .
H32A H 0.9404 0.6416 0.1684 0.044 Uiso 1 1 calc R U . . .
C33 C 0.8245(4) 0.8634(2) 0.18029(15) 0.0424(9) Uani 1 1 d . . . . .
H27 H 0.7945 0.9216 0.1832 0.051 Uiso 1 1 calc R U . . .
C34 C 0.9237(4) 0.8411(2) 0.20949(14) 0.0453(10) Uani 1 1 d . . . . .
H25 H 0.9598 0.8819 0.2324 0.054 Uiso 1 1 calc R U . . .
C35 C 0.9700(4) 0.7572(3) 0.20466(15) 0.0487(10) Uani 1 1 d . . . . .
H24 H 1.0407 0.7396 0.2233 0.058 Uiso 1 1 calc R U . . .
C36 C 0.6937(3) 0.70549(19) 0.04645(12) 0.0274(6) Uani 1 1 d . . . . .
C37 C 0.5914(5) 0.7449(5) 0.0331(2) 0.110(3) Uani 1 1 d . . . . .
H37A H 0.5236 0.7458 0.0560 0.131 Uiso 1 1 calc R U . . .
N8 N 0.7786(5) 0.6978(5) 0.0140(2) 0.128(3) Uani 1 1 d . . . . .
C38 C 0.5821(6) 0.7852(6) -0.0145(2) 0.113(3) Uani 1 1 d . . . . .
H28 H 0.5092 0.8162 -0.0230 0.135 Uiso 1 1 calc R U . . .
C39 C 0.6699(4) 0.7814(3) -0.04699(16) 0.0499(10) Uani 1 1 d . . . . .
H39A H 0.6652 0.8092 -0.0795 0.060 Uiso 1 1 calc R U . . .
C40 C 0.7673(7) 0.7365(6) -0.0325(3) 0.149(4) Uani 1 1 d . . . . .
H40A H 0.8334 0.7310 -0.0561 0.179 Uiso 1 1 calc R U . . .
C41 C 0.5734(3) 0.6484(2) 0.13972(13) 0.0267(7) Uani 1 1 d . . . . .
C42 C 0.5509(4) 0.6889(3) 0.18604(15) 0.0436(9) Uani 1 1 d . . . . .
H42A H 0.6132 0.7222 0.2025 0.052 Uiso 1 1 calc R U . . .
C43 C 0.4355(4) 0.6802(3) 0.20815(17) 0.0533(11) Uani 1 1 d . . . . .
H35 H 0.4176 0.7073 0.2401 0.064 Uiso 1 1 calc R U . . .
C44 C 0.3474(4) 0.6318(3) 0.18310(18) 0.0486(11) Uani 1 1 d . . . . .
H34 H 0.2671 0.6256 0.1969 0.058 Uiso 1 1 calc R U . . .
C45 C 0.3789(4) 0.5928(3) 0.13785(17) 0.0493(10) Uani 1 1 d . . . . .
H33 H 0.3182 0.5590 0.1207 0.059 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 P1 2.4951(8) . ?
Ag1 P2 2.5074(8) . ?
Ag1 P3 2.5181(8) . ?
Ag1 S1R 2.6160(7) . ?
S1R C1R 1.664(3) . ?
P1 C1 1.834(3) . ?
P1 C6 1.833(4) . ?
P1 C11 1.837(3) . ?
P2 C21 1.833(3) . ?
P2 C16 1.833(3) . ?
P2 C26 1.835(3) . ?
P3 C31 1.838(3) . ?
P3 C41 1.837(3) . ?
P3 C36 1.843(3) . ?
N1R C1R 1.156(4) . ?
C1 N1 1.331(4) . ?
C1 C5 1.379(4) . ?
N1 C2 1.335(6) . ?
C2 C3 1.369(7) . ?
C2 H4 0.9500 . ?
N2 C6 1.324(5) . ?
N2 C10 1.331(5) . ?
N3 C11 1.331(4) . ?
N3 C15 1.346(5) . ?
C3 C4 1.378(6) . ?
C3 H3 0.9500 . ?
N4 C20 1.344(5) . ?
N4 C16 1.340(4) . ?
C4 C5 1.381(5) . ?
C4 H2 0.9500 . ?
N5 C25 1.338(4) . ?
N5 C21 1.339(4) . ?
C5 H1 0.9500 . ?
N6 C30 1.339(5) . ?
N6 C26 1.340(4) . ?
C6 C7 1.364(6) . ?
C7 C8 1.400(7) . ?
C7 H7A 0.9500 . ?
N7 C33 1.339(5) . ?
N7 C31 1.349(4) . ?
C8 C9 1.360(9) . ?
C8 H8 0.9500 . ?
C9 C10 1.340(7) . ?
C9 H7 0.9500 . ?
N9 C41 1.329(4) . ?
N9 C45 1.343(5) . ?
C10 H6 0.9500 . ?
C11 C12 1.389(5) . ?
C12 C13 1.380(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.373(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.380(5) . ?
C14 H11 0.9500 . ?
C15 H10 0.9500 . ?
C16 C17 1.369(5) . ?
C19 C18 1.347(7) . ?
C19 C20 1.374(7) . ?
C19 H17A 0.9500 . ?
C17 C18 1.398(6) . ?
C17 H15 0.9500 . ?
C18 H14 0.9500 . ?
C20 H16 0.9500 . ?
C21 C22 1.396(5) . ?
C22 C23 1.384(5) . ?
C22 H22A 0.9500 . ?
C23 C24 1.377(5) . ?
C23 H17 0.9500 . ?
C24 C25 1.372(5) . ?
C24 H18 0.9500 . ?
C25 H19 0.9500 . ?
C26 C27 1.378(5) . ?
C27 C28 1.378(6) . ?
C27 H27A 0.9500 . ?
C28 C29 1.364(6) . ?
C28 H21 0.9500 . ?
C29 C30 1.368(6) . ?
C29 H20 0.9500 . ?
C30 H22 0.9500 . ?
C31 C32 1.368(5) . ?
C32 C35 1.379(5) . ?
C32 H32A 0.9500 . ?
C33 C34 1.365(6) . ?
C33 H27 0.9500 . ?
C34 C35 1.382(6) . ?
C34 H25 0.9500 . ?
C35 H24 0.9500 . ?
C36 N8 1.259(5) . ?
C36 C37 1.314(6) . ?
C37 C38 1.388(7) . ?
C37 H37A 0.9500 . ?
N8 C40 1.356(6) . ?
C38 C39 1.280(7) . ?
C38 H28 0.9500 . ?
C39 C40 1.317(7) . ?
C39 H39A 0.9500 . ?
C40 H40A 0.9500 . ?
C41 C42 1.380(5) . ?
C42 C43 1.390(5) . ?
C42 H42A 0.9500 . ?
C43 C44 1.377(6) . ?
C43 H35 0.9500 . ?
C44 C45 1.366(6) . ?
C44 H34 0.9500 . ?
C45 H33 0.9500 . ?

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
P1 Ag1 P2 110.78(3) . . ?
P1 Ag1 P3 111.79(3) . . ?
P2 Ag1 P3 108.59(3) . . ?
P1 Ag1 S1R 106.49(3) . . ?
P2 Ag1 S1R 108.09(3) . . ?
P3 Ag1 S1R 111.04(3) . . ?
C1R S1R Ag1 101.56(10) . . ?
C1 P1 C6 103.98(16) . . ?
C1 P1 C11 102.64(16) . . ?
C6 P1 C11 103.02(17) . . ?
C1 P1 Ag1 112.00(10) . . ?
C6 P1 Ag1 120.00(14) . . ?
C11 P1 Ag1 113.33(10) . . ?
C21 P2 C16 103.37(15) . . ?
C21 P2 C26 102.66(14) . . ?
C16 P2 C26 102.58(14) . . ?
C21 P2 Ag1 118.24(10) . . ?
C16 P2 Ag1 115.68(10) . . ?
C26 P2 Ag1 112.36(10) . . ?
C31 P3 C41 101.69(14) . . ?
C31 P3 C36 103.47(14) . . ?
C41 P3 C36 103.86(15) . . ?
C31 P3 Ag1 118.77(11) . . ?
C41 P3 Ag1 115.21(10) . . ?
C36 P3 Ag1 112.07(10) . . ?
N1R C1R S1R 178.2(4) . . ?
N1 C1 C5 123.1(3) . . ?
N1 C1 P1 119.3(3) . . ?
C5 C1 P1 117.6(2) . . ?
C1 N1 C2 116.0(4) . . ?
N1 C2 C3 125.3(4) . . ?
N1 C2 H4 117.3 . . ?
C3 C2 H4 117.3 . . ?
C6 N2 C10 117.8(4) . . ?
C11 N3 C15 116.9(3) . . ?
C2 C3 C4 117.9(4) . . ?
C2 C3 H3 121.0 . . ?
C4 C3 H3 121.0 . . ?
C20 N4 C16 117.1(4) . . ?
C5 C4 C3 118.1(4) . . ?
C5 C4 H2 121.0 . . ?
C3 C4 H2 121.0 . . ?
C25 N5 C21 117.2(3) . . ?
C4 C5 C1 119.6(3) . . ?
C4 C5 H1 120.2 . . ?
C1 C5 H1 120.2 . . ?
C30 N6 C26 117.3(3) . . ?
N2 C6 C7 121.8(4) . . ?
N2 C6 P1 119.9(3) . . ?
C7 C6 P1 118.2(3) . . ?
C6 C7 C8 119.2(5) . . ?
C6 C7 H7A 120.4 . . ?
C8 C7 H7A 120.4 . . ?
C33 N7 C31 116.0(3) . . ?
C9 C8 C7 117.9(5) . . ?
C9 C8 H8 121.0 . . ?
C7 C8 H8 121.0 . . ?
C10 C9 C8 118.9(4) . . ?
C10 C9 H7 120.5 . . ?
C8 C9 H7 120.5 . . ?
C41 N9 C45 117.4(3) . . ?
N2 C10 C9 124.1(5) . . ?
N2 C10 H6 118.0 . . ?
C9 C10 H6 118.0 . . ?
N3 C11 C12 123.3(3) . . ?
N3 C11 P1 113.4(2) . . ?
C12 C11 P1 123.2(3) . . ?
C13 C12 C11 118.9(4) . . ?
C13 C12 H12 120.6 . . ?
C11 C12 H12 120.6 . . ?
C14 C13 C12 118.6(4) . . ?
C14 C13 H13 120.7 . . ?
C12 C13 H13 120.7 . . ?
C13 C14 C15 118.9(4) . . ?
C13 C14 H11 120.5 . . ?
C15 C14 H11 120.5 . . ?
N3 C15 C14 123.4(4) . . ?
N3 C15 H10 118.3 . . ?
C14 C15 H10 118.3 . . ?
N4 C16 C17 123.4(3) . . ?
N4 C16 P2 112.6(2) . . ?
C17 C16 P2 123.7(3) . . ?
C18 C19 C20 118.3(4) . . ?
C18 C19 H17A 120.8 . . ?
C20 C19 H17A 120.8 . . ?
C16 C17 C18 117.4(4) . . ?
C16 C17 H15 121.3 . . ?
C18 C17 H15 121.3 . . ?
C19 C18 C17 120.4(4) . . ?
C19 C18 H14 119.8 . . ?
C17 C18 H14 119.8 . . ?
N4 C20 C19 123.3(4) . . ?
N4 C20 H16 118.4 . . ?
C19 C20 H16 118.4 . . ?
N5 C21 C22 122.4(3) . . ?
N5 C21 P2 119.7(2) . . ?
C22 C21 P2 117.9(2) . . ?
C23 C22 C21 118.7(3) . . ?
C23 C22 H22A 120.6 . . ?
C21 C22 H22A 120.6 . . ?
C24 C23 C22 119.0(3) . . ?
C24 C23 H17 120.5 . . ?
C22 C23 H17 120.5 . . ?
C25 C24 C23 118.4(3) . . ?
C25 C24 H18 120.8 . . ?
C23 C24 H18 120.8 . . ?
N5 C25 C24 124.2(3) . . ?
N5 C25 H19 117.9 . . ?
C24 C25 H19 117.9 . . ?
N6 C26 C27 122.6(3) . . ?
N6 C26 P2 113.3(3) . . ?
C27 C26 P2 124.1(3) . . ?
C28 C27 C26 118.6(4) . . ?
C28 C27 H27A 120.7 . . ?
C26 C27 H27A 120.7 . . ?
C29 C28 C27 119.5(4) . . ?
C29 C28 H21 120.3 . . ?
C27 C28 H21 120.3 . . ?
C28 C29 C30 118.5(4) . . ?
C28 C29 H20 120.8 . . ?
C30 C29 H20 120.8 . . ?
N6 C30 C29 123.5(4) . . ?
N6 C30 H22 118.2 . . ?
C29 C30 H22 118.2 . . ?
N7 C31 C32 122.9(3) . . ?
N7 C31 P3 117.6(3) . . ?
C32 C31 P3 119.4(2) . . ?
C31 C32 C35 119.7(3) . . ?
C31 C32 H32A 120.2 . . ?
C35 C32 H32A 120.2 . . ?
N7 C33 C34 124.9(3) . . ?
N7 C33 H27 117.5 . . ?
C34 C33 H27 117.5 . . ?
C33 C34 C35 118.0(3) . . ?
C33 C34 H25 121.0 . . ?
C35 C34 H25 121.0 . . ?
C32 C35 C34 118.4(4) . . ?
C32 C35 H24 120.8 . . ?
C34 C35 H24 120.8 . . ?
N8 C36 C37 119.1(4) . . ?
N8 C36 P3 113.9(3) . . ?
C37 C36 P3 126.6(3) . . ?
C36 C37 C38 120.2(5) . . ?
C36 C37 H37A 119.9 . . ?
C38 C37 H37A 119.9 . . ?
C36 N8 C40 119.6(4) . . ?
C39 C38 C37 121.1(5) . . ?
C39 C38 H28 119.4 . . ?
C37 C38 H28 119.4 . . ?
C38 C39 C40 115.8(4) . . ?
C38 C39 H39A 122.1 . . ?
C40 C39 H39A 122.1 . . ?
C39 C40 N8 123.8(5) . . ?
C39 C40 H40A 118.1 . . ?
N8 C40 H40A 118.1 . . ?
N9 C41 C42 122.6(3) . . ?
N9 C41 P3 112.6(2) . . ?
C42 C41 P3 124.5(3) . . ?
C41 C42 C43 118.8(4) . . ?
C41 C42 H42A 120.6 . . ?
C43 C42 H42A 120.6 . . ?
C44 C43 C42 119.0(4) . . ?
C44 C43 H35 120.5 . . ?
C42 C43 H35 120.5 . . ?
C45 C44 C43 118.0(4) . . ?
C45 C44 H34 121.0 . . ?
C43 C44 H34 121.0 . . ?
N9 C45 C44 124.1(4) . . ?
N9 C45 H33 118.0 . . ?
C44 C45 H33 118.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 P1 C1 N1 3.0(4) . . . . ?
C11 P1 C1 N1 -104.1(3) . . . . ?
Ag1 P1 C1 N1 134.0(3) . . . . ?
C6 P1 C1 C5 -175.9(3) . . . . ?
C11 P1 C1 C5 77.0(3) . . . . ?
Ag1 P1 C1 C5 -44.9(3) . . . . ?
C5 C1 N1 C2 0.5(7) . . . . ?
P1 C1 N1 C2 -178.4(4) . . . . ?
C1 N1 C2 C3 -0.5(8) . . . . ?
N1 C2 C3 C4 -0.4(8) . . . . ?
C2 C3 C4 C5 1.1(7) . . . . ?
C3 C4 C5 C1 -1.1(6) . . . . ?
N1 C1 C5 C4 0.3(6) . . . . ?
P1 C1 C5 C4 179.2(3) . . . . ?
C10 N2 C6 C7 -3.3(7) . . . . ?
C10 N2 C6 P1 -178.3(3) . . . . ?
C1 P1 C6 N2 -99.6(3) . . . . ?
C11 P1 C6 N2 7.2(4) . . . . ?
Ag1 P1 C6 N2 134.3(3) . . . . ?
C1 P1 C6 C7 85.3(5) . . . . ?
C11 P1 C6 C7 -167.9(4) . . . . ?
Ag1 P1 C6 C7 -40.8(5) . . . . ?
N2 C6 C7 C8 3.9(9) . . . . ?
P1 C6 C7 C8 179.0(5) . . . . ?
C6 C7 C8 C9 -0.1(11) . . . . ?
C7 C8 C9 C10 -4.0(11) . . . . ?
C6 N2 C10 C9 -1.1(8) . . . . ?
C8 C9 C10 N2 4.9(10) . . . . ?
C15 N3 C11 C12 0.7(5) . . . . ?
C15 N3 C11 P1 177.9(3) . . . . ?
C1 P1 C11 N3 -162.1(2) . . . . ?
C6 P1 C11 N3 90.1(3) . . . . ?
Ag1 P1 C11 N3 -41.1(3) . . . . ?
C1 P1 C11 C12 15.1(3) . . . . ?
C6 P1 C11 C12 -92.7(3) . . . . ?
Ag1 P1 C11 C12 136.1(3) . . . . ?
N3 C11 C12 C13 -0.6(6) . . . . ?
P1 C11 C12 C13 -177.6(3) . . . . ?
C11 C12 C13 C14 0.8(6) . . . . ?
C12 C13 C14 C15 -1.0(6) . . . . ?
C11 N3 C15 C14 -0.9(6) . . . . ?
C13 C14 C15 N3 1.2(6) . . . . ?
C20 N4 C16 C17 -2.1(6) . . . . ?
C20 N4 C16 P2 -176.4(3) . . . . ?
C21 P2 C16 N4 -77.4(3) . . . . ?
C26 P2 C16 N4 176.2(3) . . . . ?
Ag1 P2 C16 N4 53.5(3) . . . . ?
C21 P2 C16 C17 108.3(3) . . . . ?
C26 P2 C16 C17 1.8(4) . . . . ?
Ag1 P2 C16 C17 -120.9(3) . . . . ?
N4 C16 C17 C18 1.1(7) . . . . ?
P2 C16 C17 C18 174.9(4) . . . . ?
C20 C19 C18 C17 0.7(8) . . . . ?
C16 C17 C18 C19 -0.4(8) . . . . ?
C16 N4 C20 C19 2.4(7) . . . . ?
C18 C19 C20 N4 -1.8(8) . . . . ?
C25 N5 C21 C22 1.5(5) . . . . ?
C25 N5 C21 P2 -178.0(2) . . . . ?
C16 P2 C21 N5 -25.2(3) . . . . ?
C26 P2 C21 N5 81.3(3) . . . . ?
Ag1 P2 C21 N5 -154.5(2) . . . . ?
C16 P2 C21 C22 155.3(3) . . . . ?
C26 P2 C21 C22 -98.3(3) . . . . ?
Ag1 P2 C21 C22 26.0(3) . . . . ?
N5 C21 C22 C23 -1.7(5) . . . . ?
P2 C21 C22 C23 177.8(3) . . . . ?
C21 C22 C23 C24 0.3(5) . . . . ?
C22 C23 C24 C25 1.2(6) . . . . ?
C21 N5 C25 C24 0.1(5) . . . . ?
C23 C24 C25 N5 -1.5(6) . . . . ?
C30 N6 C26 C27 0.3(6) . . . . ?
C30 N6 C26 P2 178.5(3) . . . . ?
C21 P2 C26 N6 152.5(3) . . . . ?
C16 P2 C26 N6 -100.4(3) . . . . ?
Ag1 P2 C26 N6 24.5(3) . . . . ?
C21 P2 C26 C27 -29.3(3) . . . . ?
C16 P2 C26 C27 77.7(3) . . . . ?
Ag1 P2 C26 C27 -157.4(3) . . . . ?
N6 C26 C27 C28 0.0(6) . . . . ?
P2 C26 C27 C28 -178.0(3) . . . . ?
C26 C27 C28 C29 -0.8(7) . . . . ?
C27 C28 C29 C30 1.3(8) . . . . ?
C26 N6 C30 C29 0.3(7) . . . . ?
C28 C29 C30 N6 -1.1(8) . . . . ?
C33 N7 C31 C32 -2.6(5) . . . . ?
C33 N7 C31 P3 172.9(3) . . . . ?
C41 P3 C31 N7 -59.4(3) . . . . ?
C36 P3 C31 N7 48.1(3) . . . . ?
Ag1 P3 C31 N7 173.0(2) . . . . ?
C41 P3 C31 C32 116.2(3) . . . . ?
C36 P3 C31 C32 -136.3(3) . . . . ?
Ag1 P3 C31 C32 -11.4(3) . . . . ?
N7 C31 C32 C35 1.8(5) . . . . ?
P3 C31 C32 C35 -173.7(3) . . . . ?
C31 N7 C33 C34 0.9(5) . . . . ?
N7 C33 C34 C35 1.5(6) . . . . ?
C31 C32 C35 C34 0.8(6) . . . . ?
C33 C34 C35 C32 -2.3(6) . . . . ?
C31 P3 C36 N8 86.8(5) . . . . ?
C41 P3 C36 N8 -167.3(5) . . . . ?
Ag1 P3 C36 N8 -42.3(5) . . . . ?
C31 P3 C36 C37 -100.3(6) . . . . ?
C41 P3 C36 C37 5.6(6) . . . . ?
Ag1 P3 C36 C37 130.6(5) . . . . ?
N8 C36 C37 C38 -6.5(11) . . . . ?
P3 C36 C37 C38 -179.1(6) . . . . ?
C37 C36 N8 C40 5.6(12) . . . . ?
P3 C36 N8 C40 179.0(7) . . . . ?
C36 C37 C38 C39 3.3(14) . . . . ?
C37 C38 C39 C40 0.7(13) . . . . ?
C38 C39 C40 N8 -1.6(14) . . . . ?
C36 N8 C40 C39 -1.5(15) . . . . ?
C45 N9 C41 C42 2.9(6) . . . . ?
C45 N9 C41 P3 177.6(3) . . . . ?
C31 P3 C41 N9 175.3(3) . . . . ?
C36 P3 C41 N9 68.1(3) . . . . ?
Ag1 P3 C41 N9 -54.9(3) . . . . ?
C31 P3 C41 C42 -10.2(4) . . . . ?
C36 P3 C41 C42 -117.4(3) . . . . ?
Ag1 P3 C41 C42 119.6(3) . . . . ?
N9 C41 C42 C43 -2.0(6) . . . . ?
P3 C41 C42 C43 -176.0(3) . . . . ?
C41 C42 C43 C44 -0.2(7) . . . . ?
C42 C43 C44 C45 1.3(7) . . . . ?
C41 N9 C45 C44 -1.7(7) . . . . ?
C43 C44 C45 N9 -0.4(7) . . . . ?

_refine_diff_density_max         0.644
_refine_diff_density_min         -0.583
_refine_diff_density_rms         0.063



