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

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

data_2
_database_code_depnum_ccdc_archive 'CCDC 1878467'
loop_
_audit_author_name
_audit_author_address
'Tarlok Singh Lobana'
;Guru Nanak Dev University Amritsar 143005
India
;
_audit_update_record             
;
2018-11-11 deposited with the CCDC.	2019-04-16 downloaded from the CCDC.
;
_audit_creation_date             2017-07-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C42 H39 Ag N3 O3 P2 S'
_chemical_formula_sum            'C42 H42 Ag N3 O3 P2 S'
_chemical_formula_weight         838.65
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C30 H39 N5 S2 P O3 Ag'
_chemical_oxdiff_usercomment     "Lobana's JPL-237"
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.5641(6)
_cell_length_b                   12.9718(7)
_cell_length_c                   15.3593(8)
_cell_angle_alpha                77.698(4)
_cell_angle_beta                 82.402(4)
_cell_angle_gamma                79.796(4)
_cell_volume                     2014.12(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5183
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      71.1070
_cell_measurement_theta_min      3.6210
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.577
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.58609
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.383
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             864
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0443
_diffrn_reflns_av_unetI/netI     0.0579
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14231
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.449
_diffrn_reflns_theta_min         4.143
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0416
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -30.00   7.00   1.00    1.00    --  -33.50  37.00   0.00   37
  2  ω    -22.00  38.00   1.00    1.00    --  -33.50  19.00 -30.00   60
  3  ω    -34.00  54.00   1.00    1.00    --   35.17 -37.00-180.00   88
  4  ω     24.00  69.00   1.00    1.00    --   35.17 -99.00 -60.00   45
  5  ω     66.00  99.00   1.00    1.00    --   35.17-178.00-150.00   33
  6  ω     39.00  65.00   1.00    2.50    --  108.00-111.00-150.00   26
  7  ω     41.00  84.00   1.00    2.50    --  108.00 -77.00-120.00   43
  8  ω    105.00 131.00   1.00    2.50    --  108.00 -77.00-120.00   26
  9  ω     88.00 115.00   1.00    2.50    --  108.00-111.00-150.00   27
 10  ω     62.00 116.00   1.00    2.50    --  108.00-111.00 -30.00   54
 11  ω     85.00 111.00   1.00    2.50    --  108.00-106.00  73.00   26
 12  ω     65.00 104.00   1.00    2.50    --  108.00 -94.00  60.00   39
 13  ω     42.00 123.00   1.00    2.50    --  108.00 -77.00 120.00   81
 14  ω    113.00 174.00   1.00    2.50    --  108.00  15.00 -30.00   61
 15  ω    108.00 166.00   1.00    2.50    --  108.00  61.00-150.00   58
 16  ω    119.00 156.00   1.00    2.50    --  108.00 111.00 -90.00   37
 17  ω     70.00 105.00   1.00    2.50    --  108.00  15.00 -30.00   35
 18  ω     58.00 122.00   1.00    2.50    --  108.00 -45.00-150.00   64
 19  ω     40.00 125.00   1.00    2.50    --  108.00 -45.00   0.00   85
 20  ω    101.00 163.00   1.00    2.50    --  108.00  45.00  90.00   62
 21  ω    144.00 176.00   1.00    2.50    --  108.00  77.00 120.00   32
 22  ω    103.00 178.00   1.00    2.50    --  108.00 111.00 150.00   75
 23  ω     43.00 104.00   1.00    2.50    --  108.00 -30.00 150.00   61
 24  ω     46.00  95.00   1.00    2.50    --  108.00 -15.00  90.00   49
 25  ω     26.00  78.00   1.00    1.00    --   35.17-106.00  73.00   52
 26  ω     34.00  62.00   1.00    1.00    --   35.17 -77.00 150.00   28
 27  ω    -27.00  20.00   1.00    1.00    --   35.17 -77.00 150.00   47
 28  ω    -49.00  30.00   1.00    1.00    --  -33.50  57.00  90.00   79
 29  ω    -59.00   3.00   1.00    1.00    --  -33.50  77.00-150.00   62
 30  ω    -98.00 -25.00   1.00    1.00    --  -33.50 -77.00   0.00   73
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku, Oxford diffraction'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0990786000
_diffrn_orient_matrix_UB_12      -0.0684407000
_diffrn_orient_matrix_UB_13      0.0550380000
_diffrn_orient_matrix_UB_21      -0.0138634000
_diffrn_orient_matrix_UB_22      -0.0435223000
_diffrn_orient_matrix_UB_23      -0.0835331000
_diffrn_orient_matrix_UB_31      0.1102926000
_diffrn_orient_matrix_UB_32      -0.0924882000
_diffrn_orient_matrix_UB_33      0.0252745000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6347
_reflns_number_total             7658
_reflns_odcompleteness_completeness 99.88
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.720
_refine_diff_density_min         -0.671
_refine_diff_density_rms         0.085
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     480
_refine_ls_number_reflns         7658
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0668
_refine_ls_R_factor_gt           0.0548
_refine_ls_restrained_S_all      1.083
_refine_ls_shift/su_max          0.290
_refine_ls_shift/su_mean         0.010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0603P)²+2.2317P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1389
_refine_ls_wR_factor_ref         0.1469
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Sof(C40A)=1-FVAR(1)
 Sof(C40)=FVAR(1)
3.a Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B)
3.b Aromatic/amide H refined with riding coordinates:
 N2(H2), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C14(H14), C15(H15),
 C16(H16), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C23(H23), C26(H26),
  C27(H27), C28(H28), C29(H29), C30(H30), C32(H32), C33(H33), C34(H34),
 C35(H35), C36(H36), C38(H38), C40(H40), C42(H42)
3.c Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.17731(4) 0.76192(3) 0.74461(2) 0.04641(13) Uani 1 1 d . . . . .
S1 S 0.19721(15) 0.64605(12) 0.90538(8) 0.0596(3) Uani 1 1 d . . . . .
P1 P 0.29793(11) 0.66168(9) 0.63319(7) 0.0392(2) Uani 1 1 d . . . . .
P2 P 0.16965(11) 0.94876(9) 0.75400(7) 0.0394(2) Uani 1 1 d . . . . .
O1 O -0.0440(4) 0.7319(4) 0.7268(3) 0.0776(13) Uani 1 1 d . . . . .
O2 O -0.1684(6) 0.8793(4) 0.7361(4) 0.1010(17) Uani 1 1 d . . . . .
O3 O -0.1748(5) 0.7403(5) 0.8409(4) 0.0992(17) Uani 1 1 d . . . . .
N1 N -0.1272(5) 0.7807(5) 0.7670(3) 0.0656(13) Uani 1 1 d . . . . .
N2 N 0.0303(6) 0.5345(4) 0.8651(4) 0.0819(16) Uani 1 1 d . . . . .
H2 H -0.0177 0.5918 0.8417 0.098 Uiso 1 1 calc R U . . .
N3 N 0.1891(6) 0.4348(4) 0.9319(4) 0.0752(15) Uani 1 1 d . . . . .
C1 C 0.1375(6) 0.5350(4) 0.8995(3) 0.0562(13) Uani 1 1 d . . . . .
C2 C 0.0003(8) 0.4287(5) 0.8701(4) 0.081(2) Uani 1 1 d . . . . .
H2A H 0.0006 0.4135 0.8110 0.097 Uiso 1 1 calc R U . . .
H2B H -0.0829 0.4199 0.9036 0.097 Uiso 1 1 calc R U . . .
C3 C 0.1088(8) 0.3595(5) 0.9186(5) 0.090(2) Uani 1 1 d . . . . .
H3A H 0.0762 0.3197 0.9755 0.107 Uiso 1 1 calc R U . . .
H3B H 0.1575 0.3097 0.8829 0.107 Uiso 1 1 calc R U . . .
C4 C 0.3048(9) 0.4023(7) 0.9747(6) 0.106(3) Uani 1 1 d . . . . .
H4A H 0.2916 0.3475 1.0275 0.127 Uiso 1 1 calc R U . . .
H4B H 0.3280 0.4627 0.9936 0.127 Uiso 1 1 calc R U . . .
C5 C 0.4145(12) 0.3585(11) 0.9097(11) 0.175(6) Uani 1 1 d . . . . .
H5A H 0.3899 0.2983 0.8914 0.210 Uiso 1 1 calc R U . . .
H5B H 0.4250 0.4134 0.8566 0.210 Uiso 1 1 calc R U . . .
C6 C 0.5307(13) 0.3264(12) 0.9452(12) 0.198(7) Uani 1 1 d . . . . .
H6A H 0.5736 0.3872 0.9397 0.297 Uiso 1 1 calc R U . . .
H6B H 0.5836 0.2755 0.9133 0.297 Uiso 1 1 calc R U . . .
H6C H 0.5163 0.2940 1.0072 0.297 Uiso 1 1 calc R U . . .
C7 C 0.3011(5) 0.7262(4) 0.5152(3) 0.0448(10) Uani 1 1 d . . . . .
C8 C 0.3029(6) 0.8349(4) 0.4924(4) 0.0620(14) Uani 1 1 d . . . . .
H8 H 0.3016 0.8733 0.5373 0.074 Uiso 1 1 calc R U . . .
C9 C 0.3065(8) 0.8877(5) 0.4040(5) 0.082(2) Uani 1 1 d . . . . .
H9 H 0.3080 0.9608 0.3898 0.098 Uiso 1 1 calc R U . . .
C10 C 0.3080(7) 0.8325(6) 0.3379(4) 0.082(2) Uani 1 1 d . . . . .
H10 H 0.3093 0.8680 0.2785 0.098 Uiso 1 1 calc R U . . .
C11 C 0.3075(8) 0.7253(6) 0.3587(4) 0.083(2) Uani 1 1 d . . . . .
H11 H 0.3094 0.6877 0.3131 0.100 Uiso 1 1 calc R U . . .
C12 C 0.3043(7) 0.6712(5) 0.4469(4) 0.0671(16) Uani 1 1 d . . . . .
H12 H 0.3042 0.5979 0.4602 0.080 Uiso 1 1 calc R U . . .
C13 C 0.2444(5) 0.5351(4) 0.6345(3) 0.0443(10) Uani 1 1 d . . . . .
C14 C 0.1190(5) 0.5364(5) 0.6190(4) 0.0578(13) Uani 1 1 d . . . . .
H14 H 0.0636 0.6011 0.6090 0.069 Uiso 1 1 calc R U . . .
C15 C 0.0737(6) 0.4422(5) 0.6183(4) 0.0671(16) Uani 1 1 d . . . . .
H15 H -0.0108 0.4440 0.6064 0.081 Uiso 1 1 calc R U . . .
C16 C 0.1543(7) 0.3470(5) 0.6350(4) 0.0692(17) Uani 1 1 d . . . . .
H16 H 0.1245 0.2840 0.6339 0.083 Uiso 1 1 calc R U . . .
C17 C 0.2787(7) 0.3435(4) 0.6533(4) 0.0683(16) Uani 1 1 d . . . . .
H17 H 0.3321 0.2781 0.6659 0.082 Uiso 1 1 calc R U . . .
C18 C 0.3255(6) 0.4372(4) 0.6532(3) 0.0553(13) Uani 1 1 d . . . . .
H18 H 0.4100 0.4348 0.6654 0.066 Uiso 1 1 calc R U . . .
C19 C 0.4696(4) 0.6265(3) 0.6530(3) 0.0402(9) Uani 1 1 d . . . . .
C20 C 0.5682(5) 0.6180(4) 0.5851(3) 0.0537(12) Uani 1 1 d . . . . .
H20 H 0.5487 0.6278 0.5263 0.064 Uiso 1 1 calc R U . . .
C21 C 0.6954(6) 0.5950(5) 0.6040(4) 0.0629(14) Uani 1 1 d . . . . .
H21 H 0.7610 0.5886 0.5578 0.076 Uiso 1 1 calc R U . . .
C22 C 0.7259(6) 0.5815(5) 0.6903(5) 0.0680(16) Uani 1 1 d . . . . .
H22 H 0.8118 0.5674 0.7027 0.082 Uiso 1 1 calc R U . . .
C23 C 0.6287(6) 0.5889(7) 0.7575(4) 0.081(2) Uani 1 1 d . . . . .
H23 H 0.6487 0.5781 0.8163 0.097 Uiso 1 1 calc R U . . .
C24 C 0.5015(6) 0.6120(5) 0.7398(4) 0.0623(14) Uani 1 1 d . . . . .
H24 H 0.4364 0.6179 0.7864 0.075 Uiso 1 1 calc R U . . .
C25 C 0.1758(5) 1.0391(3) 0.6451(3) 0.0440(10) Uani 1 1 d . . . . .
C26 C 0.2910(6) 1.0720(4) 0.6035(3) 0.0544(12) Uani 1 1 d . . . . .
H26 H 0.3649 1.0550 0.6337 0.065 Uiso 1 1 calc R U . . .
C27 C 0.2946(8) 1.1303(5) 0.5165(4) 0.0739(18) Uani 1 1 d . . . . .
H27 H 0.3715 1.1521 0.4882 0.089 Uiso 1 1 calc R U . . .
C28 C 0.1852(9) 1.1562(5) 0.4718(4) 0.081(2) Uani 1 1 d . . . . .
H28 H 0.1879 1.1967 0.4140 0.097 Uiso 1 1 calc R U . . .
C29 C 0.0736(8) 1.1228(5) 0.5120(5) 0.081(2) Uani 1 1 d . . . . .
H29 H 0.0003 1.1401 0.4812 0.097 Uiso 1 1 calc R U . . .
C30 C 0.0671(6) 1.0633(5) 0.5986(4) 0.0633(14) Uani 1 1 d . . . . .
H30 H -0.0096 1.0397 0.6251 0.076 Uiso 1 1 calc R U . . .
C31 C 0.0327(5) 1.0092(4) 0.8218(3) 0.0451(10) Uani 1 1 d . . . . .
C32 C -0.0100(6) 1.1190(5) 0.8107(4) 0.0668(15) Uani 1 1 d . . . . .
H32 H 0.0288 1.1662 0.7650 0.080 Uiso 1 1 calc R U . . .
C33 C -0.1112(7) 1.1565(6) 0.8688(5) 0.0780(19) Uani 1 1 d . . . . .
H33 H -0.1389 1.2296 0.8625 0.094 Uiso 1 1 calc R U . . .
C34 C -0.1706(6) 1.0883(6) 0.9347(4) 0.0718(17) Uani 1 1 d . . . . .
H34 H -0.2391 1.1147 0.9726 0.086 Uiso 1 1 calc R U . . .
C35 C -0.1293(6) 0.9813(6) 0.9450(4) 0.0668(16) Uani 1 1 d . . . . .
H35 H -0.1696 0.9346 0.9903 0.080 Uiso 1 1 calc R U . . .
C36 C -0.0278(5) 0.9415(4) 0.8885(3) 0.0506(11) Uani 1 1 d . . . . .
H36 H -0.0006 0.8682 0.8960 0.061 Uiso 1 1 calc R U . . .
C37 C 0.3119(5) 0.9661(4) 0.8014(3) 0.0501(11) Uani 1 1 d . . . . .
C38 C 0.3204(7) 1.0525(6) 0.8362(5) 0.0768(18) Uani 1 1 d . . . . .
H38 H 0.2493 1.1062 0.8371 0.092 Uiso 1 1 calc R U . . .
C39 C 0.4294(10) 1.0627(9) 0.8695(6) 0.107(3) Uani 1 1 d . . . . .
C40 C 0.5337(9) 0.9852(11) 0.8661(6) 0.147(5) Uani 1.173(19) 1 d . . P A 1
H40 H 0.6093 0.9931 0.8872 0.177 Uiso 1 1 calc R U . . .
C41 C 0.5317(8) 0.8923(9) 0.8314(8) 0.121(4) Uani 1 1 d . . . . .
C42 C 0.4179(7) 0.8885(7) 0.8009(6) 0.089(2) Uani 1 1 d . . . . .
H42 H 0.4116 0.8289 0.7780 0.107 Uiso 1 1 calc R U . . .
C40A C -1(34) -4(34) 2(34) 0(22) Uani 0.000(19) 1 d . . P A 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 S1 2.6161(13) . ?
Ag1 P1 2.4552(11) . ?
Ag1 P2 2.4450(11) . ?
Ag1 O1 2.496(4) . ?
S1 C1 1.695(6) . ?
P1 C7 1.826(5) . ?
P1 C13 1.825(5) . ?
P1 C19 1.839(5) . ?
P2 C25 1.827(4) . ?
P2 C31 1.827(5) . ?
P2 C37 1.822(5) . ?
O1 N1 1.175(7) . ?
O2 N1 1.284(7) . ?
O3 N1 1.227(7) . ?
N2 H2 0.8600 . ?
N2 C1 1.313(8) . ?
N2 C2 1.446(8) . ?
N3 C1 1.335(7) . ?
N3 C3 1.463(10) . ?
N3 C4 1.419(10) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 C3 1.500(11) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C5 1.538(15) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.369(16) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 C8 1.383(7) . ?
C7 C12 1.381(7) . ?
C8 H8 0.9300 . ?
C8 C9 1.383(8) . ?
C9 H9 0.9300 . ?
C9 C10 1.359(10) . ?
C10 H10 0.9300 . ?
C10 C11 1.360(10) . ?
C11 H11 0.9300 . ?
C11 C12 1.386(8) . ?
C12 H12 0.9300 . ?
C13 C14 1.373(8) . ?
C13 C18 1.397(7) . ?
C14 H14 0.9300 . ?
C14 C15 1.392(8) . ?
C15 H15 0.9300 . ?
C15 C16 1.366(9) . ?
C16 H16 0.9300 . ?
C16 C17 1.371(9) . ?
C17 H17 0.9300 . ?
C17 C18 1.390(8) . ?
C18 H18 0.9300 . ?
C19 C20 1.381(6) . ?
C19 C24 1.383(7) . ?
C20 H20 0.9300 . ?
C20 C21 1.379(8) . ?
C21 H21 0.9300 . ?
C21 C22 1.374(9) . ?
C22 H22 0.9300 . ?
C22 C23 1.363(9) . ?
C23 H23 0.9300 . ?
C23 C24 1.374(8) . ?
C24 H24 0.9300 . ?
C25 C26 1.390(7) . ?
C25 C30 1.386(7) . ?
C26 H26 0.9300 . ?
C26 C27 1.388(8) . ?
C27 H27 0.9300 . ?
C27 C28 1.377(10) . ?
C28 H28 0.9300 . ?
C28 C29 1.353(11) . ?
C29 H29 0.9300 . ?
C29 C30 1.388(9) . ?
C30 H30 0.9300 . ?
C31 C32 1.397(8) . ?
C31 C36 1.368(7) . ?
C32 H32 0.9300 . ?
C32 C33 1.387(9) . ?
C33 H33 0.9300 . ?
C33 C34 1.359(10) . ?
C34 H34 0.9300 . ?
C34 C35 1.361(10) . ?
C35 H35 0.9300 . ?
C35 C36 1.385(7) . ?
C36 H36 0.9300 . ?
C37 C38 1.361(8) . ?
C37 C42 1.367(9) . ?
C38 H38 0.9300 . ?
C38 C39 1.358(10) . ?
C39 C40 1.358(15) . ?
C39 C40A 64(10) . ?
C40 H40 0.9300 . ?
C40 C41 1.421(16) . ?
C41 C42 1.360(11) . ?
C41 C40A 63(10) . ?
C42 H42 0.9300 . ?

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 S1 109.64(4) . . ?
P1 Ag1 O1 98.00(12) . . ?
P2 Ag1 S1 108.08(4) . . ?
P2 Ag1 P1 129.48(4) . . ?
P2 Ag1 O1 109.00(12) . . ?
O1 Ag1 S1 97.59(13) . . ?
C1 S1 Ag1 102.86(18) . . ?
C7 P1 Ag1 118.26(16) . . ?
C7 P1 C19 103.9(2) . . ?
C13 P1 Ag1 114.60(14) . . ?
C13 P1 C7 103.0(2) . . ?
C13 P1 C19 105.2(2) . . ?
C19 P1 Ag1 110.54(14) . . ?
C25 P2 Ag1 113.73(15) . . ?
C31 P2 Ag1 117.41(16) . . ?
C31 P2 C25 105.6(2) . . ?
C37 P2 Ag1 110.69(18) . . ?
C37 P2 C25 103.3(2) . . ?
C37 P2 C31 104.8(2) . . ?
N1 O1 Ag1 113.9(4) . . ?
O1 N1 O2 120.9(6) . . ?
O1 N1 O3 121.2(7) . . ?
O3 N1 O2 117.8(6) . . ?
C1 N2 H2 123.1 . . ?
C1 N2 C2 113.9(6) . . ?
C2 N2 H2 123.1 . . ?
C1 N3 C3 110.6(6) . . ?
C1 N3 C4 126.3(7) . . ?
C4 N3 C3 123.1(6) . . ?
N2 C1 S1 125.2(5) . . ?
N2 C1 N3 109.3(6) . . ?
N3 C1 S1 125.5(5) . . ?
N2 C2 H2A 111.4 . . ?
N2 C2 H2B 111.4 . . ?
N2 C2 C3 101.9(6) . . ?
H2A C2 H2B 109.3 . . ?
C3 C2 H2A 111.4 . . ?
C3 C2 H2B 111.4 . . ?
N3 C3 C2 104.3(5) . . ?
N3 C3 H3A 110.9 . . ?
N3 C3 H3B 110.9 . . ?
C2 C3 H3A 110.9 . . ?
C2 C3 H3B 110.9 . . ?
H3A C3 H3B 108.9 . . ?
N3 C4 H4A 109.7 . . ?
N3 C4 H4B 109.7 . . ?
N3 C4 C5 109.8(9) . . ?
H4A C4 H4B 108.2 . . ?
C5 C4 H4A 109.7 . . ?
C5 C4 H4B 109.7 . . ?
C4 C5 H5A 108.8 . . ?
C4 C5 H5B 108.8 . . ?
H5A C5 H5B 107.7 . . ?
C6 C5 C4 113.8(15) . . ?
C6 C5 H5A 108.8 . . ?
C6 C5 H5B 108.8 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 P1 118.7(4) . . ?
C12 C7 P1 123.2(4) . . ?
C12 C7 C8 118.1(5) . . ?
C7 C8 H8 119.4 . . ?
C9 C8 C7 121.1(6) . . ?
C9 C8 H8 119.4 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.0(6) . . ?
C10 C9 H9 120.0 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 C9 119.9(6) . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 119.6 . . ?
C10 C11 C12 120.8(6) . . ?
C12 C11 H11 119.6 . . ?
C7 C12 C11 120.1(6) . . ?
C7 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C14 C13 P1 118.5(4) . . ?
C14 C13 C18 119.3(5) . . ?
C18 C13 P1 122.2(4) . . ?
C13 C14 H14 119.6 . . ?
C13 C14 C15 120.8(6) . . ?
C15 C14 H14 119.6 . . ?
C14 C15 H15 120.2 . . ?
C16 C15 C14 119.6(6) . . ?
C16 C15 H15 120.2 . . ?
C15 C16 H16 119.7 . . ?
C17 C16 C15 120.6(5) . . ?
C17 C16 H16 119.7 . . ?
C16 C17 H17 119.8 . . ?
C16 C17 C18 120.4(6) . . ?
C18 C17 H17 119.8 . . ?
C13 C18 H18 120.3 . . ?
C17 C18 C13 119.4(6) . . ?
C17 C18 H18 120.3 . . ?
C20 C19 P1 123.1(4) . . ?
C20 C19 C24 118.5(5) . . ?
C24 C19 P1 118.3(4) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 C19 120.3(5) . . ?
C21 C20 H20 119.8 . . ?
C20 C21 H21 119.7 . . ?
C22 C21 C20 120.6(5) . . ?
C22 C21 H21 119.7 . . ?
C21 C22 H22 120.4 . . ?
C23 C22 C21 119.1(6) . . ?
C23 C22 H22 120.4 . . ?
C22 C23 H23 119.5 . . ?
C22 C23 C24 121.0(6) . . ?
C24 C23 H23 119.5 . . ?
C19 C24 H24 119.8 . . ?
C23 C24 C19 120.4(5) . . ?
C23 C24 H24 119.8 . . ?
C26 C25 P2 121.3(4) . . ?
C30 C25 P2 118.6(4) . . ?
C30 C25 C26 119.5(5) . . ?
C25 C26 H26 120.3 . . ?
C27 C26 C25 119.4(6) . . ?
C27 C26 H26 120.3 . . ?
C26 C27 H27 119.7 . . ?
C28 C27 C26 120.5(6) . . ?
C28 C27 H27 119.8 . . ?
C27 C28 H28 120.0 . . ?
C29 C28 C27 120.0(6) . . ?
C29 C28 H28 120.0 . . ?
C28 C29 H29 119.5 . . ?
C28 C29 C30 121.0(7) . . ?
C30 C29 H29 119.5 . . ?
C25 C30 C29 119.6(6) . . ?
C25 C30 H30 120.2 . . ?
C29 C30 H30 120.2 . . ?
C32 C31 P2 123.8(4) . . ?
C36 C31 P2 116.9(4) . . ?
C36 C31 C32 119.2(5) . . ?
C31 C32 H32 120.5 . . ?
C33 C32 C31 118.9(6) . . ?
C33 C32 H32 120.5 . . ?
C32 C33 H33 119.4 . . ?
C34 C33 C32 121.2(6) . . ?
C34 C33 H33 119.4 . . ?
C33 C34 H34 120.2 . . ?
C33 C34 C35 119.7(6) . . ?
C35 C34 H34 120.2 . . ?
C34 C35 H35 119.8 . . ?
C34 C35 C36 120.5(6) . . ?
C36 C35 H35 119.8 . . ?
C31 C36 C35 120.5(5) . . ?
C31 C36 H36 119.8 . . ?
C35 C36 H36 119.8 . . ?
C38 C37 P2 124.1(5) . . ?
C38 C37 C42 117.7(6) . . ?
C42 C37 P2 118.2(5) . . ?
C37 C38 H38 119.0 . . ?
C37 C38 C39 122.0(8) . . ?
C39 C38 H38 119.0 . . ?
C40 C39 C38 118.7(9) . . ?
C40A C39 C38 66(10) . . ?
C39 C40 H40 118.8 . . ?
C39 C40 C41 122.4(7) . . ?
C41 C40 H40 118.8 . . ?
C42 C41 C40 114.6(9) . . ?
C42 C41 C40A 68(10) . . ?
C37 C42 H42 117.7 . . ?
C41 C42 C37 124.6(9) . . ?
C41 C42 H42 117.7 . . ?
C39 C40A C41 2(10) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2 O1 0.86 2.25 3.016(8) 147.7 .
N2 H2 O3 0.86 2.31 3.115(8) 156.2 .
N2 H2 N1 0.86 2.61 3.460(8) 170.1 .
C4 H4A O3 0.97 2.40 3.312(10) 156.2 2_567
C14 H14 O1 0.93 2.74 3.409(7) 129.2 .
C28 H28 O1 0.93 2.71 3.490(8) 141.7 2_576
C28 H28 O2 0.93 2.74 3.354(8) 124.6 2_576

_olex2_exptl_crystal_mounting_method 'POLYMER LOOP'
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.687
_oxdiff_exptl_absorpt_empirical_full_min 0.686
####################################################################### 
# 
# 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_8
_database_code_depnum_ccdc_archive 'CCDC 1878470'
loop_
_audit_author_name
_audit_author_address
'Tarlok Singh Lobana'
;Guru Nanak Dev University Amritsar 143005
India
;
_audit_update_record             
;
2018-11-11 deposited with the CCDC.	2019-04-16 downloaded from the CCDC.
;
_audit_creation_date             2018-07-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C40 H33 Ag N2 P2 S, C H4 O'
_chemical_formula_sum            'C41 H37 Ag N2 O P2 S'
_chemical_formula_weight         775.59
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C41 H34 N2 O3 S P2 Ag'
_chemical_oxdiff_usercomment     "Lobana's JPL-283"
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'
Ag Ag -0.8971 1.1015 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.1240(4)
_cell_length_b                   13.4635(6)
_cell_length_c                   14.1829(6)
_cell_angle_alpha                77.466(4)
_cell_angle_beta                 78.784(4)
_cell_angle_gamma                78.993(4)
_cell_volume                     1828.62(14)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6589
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      31.6260
_cell_measurement_theta_min      3.1130
_shelx_estimated_absorpt_T_max   0.844
_shelx_estimated_absorpt_T_min   0.789
_exptl_absorpt_coefficient_mu    0.730
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.98397
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.409
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             796
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.24
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0323
_diffrn_reflns_av_unetI/netI     0.0540
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.891
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            21420
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.891
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.753
_diffrn_reflns_theta_min         2.354
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0416
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.891
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -37.00  54.00   1.00    1.34    --   26.15 -19.00 -60.00   91
  2  ω     23.00  49.00   1.00    1.34    --   26.15 -99.00   0.00   26
  3  ω     15.00  61.00   1.00    1.34    --   26.15 -99.00  60.00   46
  4  ω     27.00  53.00   1.00    1.34    --   26.15 -77.00  90.00   26
  5  ω    -41.00  -8.00   1.00    1.34    --   26.15 -77.00  90.00   33
  6  ω    -41.00  20.00   1.00    1.34    --   26.15 -37.00  90.00   61
  7  ω    -60.00   1.00   1.00    1.34    --  -23.96 -77.00 -90.00   61
  8  ω     -1.00  93.00   1.00    1.34    --   26.15  77.00-150.00   94
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku Oxford Diffraction'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0352960000
_diffrn_orient_matrix_UB_12      0.0051339000
_diffrn_orient_matrix_UB_13      -0.0487988000
_diffrn_orient_matrix_UB_21      0.0020985000
_diffrn_orient_matrix_UB_22      -0.0533594000
_diffrn_orient_matrix_UB_23      0.0016629000
_diffrn_orient_matrix_UB_31      -0.0631136000
_diffrn_orient_matrix_UB_32      0.0108054000
_diffrn_orient_matrix_UB_33      -0.0177300000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9569
_reflns_number_total             12042
_reflns_odcompleteness_completeness 99.95
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     30.44
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.808
_refine_diff_density_min         -0.488
_refine_diff_density_rms         0.087
_refine_ls_extinction_coef       0.0032(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/1 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   0.870
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     436
_refine_ls_number_reflns         12042
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0575
_refine_ls_R_factor_gt           0.0393
_refine_ls_restrained_S_all      0.870
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1125
_refine_ls_wR_factor_ref         0.1339
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C6(H6), C7(H7), C8(H8), C9(H9), C10(H10), C12(H12),
 C13(H13), C14(H14), C15(H15), C16(H16), C18(H18), C19(H19), C20(H20), C21(H21),
  C22(H22), C24(H24), C25(H25), C26(H26), C27(H27), C28(H28), C30(H30),
 C31(H31), C32(H32), C33(H33), C34(H34), C36(H36), C37(H37), C38(H38), C39(H39),
  C40(H40)
2.b Idealised Me refined as rotating group:
 C1S(H1SA,H1SB,H1SC)
2.c Idealised tetrahedral OH refined as rotating group:
 O1S(H1S)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.61786(2) 0.26909(2) 0.73463(2) 0.02582(7) Uani 1 1 d . . . . .
S1 S 0.39138(6) 0.21580(5) 0.82517(5) 0.03452(14) Uani 1 1 d . . . . .
P1 P 0.75833(6) 0.15090(4) 0.63241(4) 0.02288(11) Uani 1 1 d . . . . .
P2 P 0.66245(6) 0.44129(4) 0.73681(4) 0.02504(12) Uani 1 1 d . . . . .
O1S O 0.1203(3) 0.1053(3) 1.0295(2) 0.0778(9) Uani 1 1 d . . . . .
H1S H 0.204280 0.107859 1.014954 0.117 Uiso 1 1 calc GR . . . .
N1 N 0.6094(2) 0.16760(17) 0.91164(15) 0.0343(4) Uani 1 1 d . . . . .
N2 N 0.4010(3) 0.1261(2) 1.01057(18) 0.0484(6) Uani 1 1 d . . . . .
C1 C 0.4738(3) 0.16543(19) 0.92442(17) 0.0326(5) Uani 1 1 d . . . . .
C1S C 0.0570(6) 0.1835(4) 1.0799(4) 0.0978(18) Uani 1 1 d . . . . .
H1SA H 0.098976 0.245471 1.051989 0.147 Uiso 1 1 calc GR . . . .
H1SB H 0.067332 0.161703 1.149014 0.147 Uiso 1 1 calc GR . . . .
H1SC H -0.040114 0.198556 1.074463 0.147 Uiso 1 1 calc GR . . . .
C2 C 0.4723(5) 0.0856(3) 1.0846(2) 0.0591(10) Uani 1 1 d . . . . .
H2 H 0.424323 0.056833 1.145914 0.071 Uiso 1 1 calc R . . . .
C3 C 0.6084(5) 0.0835(3) 1.0768(2) 0.0632(11) Uani 1 1 d . . . . .
H3 H 0.655463 0.053946 1.130469 0.076 Uiso 1 1 calc R . . . .
C4 C 0.6752(4) 0.1260(2) 0.9874(2) 0.0475(7) Uani 1 1 d . . . . .
H4 H 0.770586 0.125836 0.979349 0.057 Uiso 1 1 calc R . . . .
C5 C 0.7022(2) 0.02919(18) 0.63702(16) 0.0268(4) Uani 1 1 d . . . . .
C6 C 0.7886(3) -0.0648(2) 0.6436(2) 0.0373(5) Uani 1 1 d . . . . .
H6 H 0.880902 -0.068289 0.650543 0.045 Uiso 1 1 calc R . . . .
C7 C 0.7403(4) -0.1535(2) 0.6401(2) 0.0497(8) Uani 1 1 d . . . . .
H7 H 0.799328 -0.217757 0.645413 0.060 Uiso 1 1 calc R . . . .
C8 C 0.6056(4) -0.1484(3) 0.6288(2) 0.0536(9) Uani 1 1 d . . . . .
H8 H 0.573697 -0.208574 0.623393 0.064 Uiso 1 1 calc R . . . .
C9 C 0.5185(4) -0.0560(3) 0.6254(2) 0.0497(8) Uani 1 1 d . . . . .
H9 H 0.425709 -0.052890 0.619883 0.060 Uiso 1 1 calc R . . . .
C10 C 0.5660(3) 0.0323(2) 0.6301(2) 0.0391(6) Uani 1 1 d . . . . .
H10 H 0.505276 0.095630 0.628648 0.047 Uiso 1 1 calc R . . . .
C11 C 0.7877(2) 0.20490(17) 0.50217(16) 0.0253(4) Uani 1 1 d . . . . .
C12 C 0.7965(3) 0.3093(2) 0.47392(19) 0.0378(6) Uani 1 1 d . . . . .
H12 H 0.786633 0.350123 0.522488 0.045 Uiso 1 1 calc R . . . .
C13 C 0.8195(4) 0.3546(2) 0.3761(2) 0.0499(7) Uani 1 1 d . . . . .
H13 H 0.828358 0.425445 0.357754 0.060 Uiso 1 1 calc R . . . .
C14 C 0.8295(4) 0.2961(3) 0.3049(2) 0.0532(8) Uani 1 1 d . . . . .
H14 H 0.842406 0.327416 0.237647 0.064 Uiso 1 1 calc R . . . .
C15 C 0.8207(4) 0.1924(3) 0.3318(2) 0.0509(8) Uani 1 1 d . . . . .
H15 H 0.827716 0.152334 0.283068 0.061 Uiso 1 1 calc R . . . .
C16 C 0.8017(3) 0.1465(2) 0.43029(18) 0.0345(5) Uani 1 1 d . . . . .
H16 H 0.798163 0.074771 0.448444 0.041 Uiso 1 1 calc R . . . .
C17 C 0.9281(2) 0.11485(17) 0.66575(17) 0.0259(4) Uani 1 1 d . . . . .
C18 C 0.9374(3) 0.0768(2) 0.7644(2) 0.0387(6) Uani 1 1 d . . . . .
H18 H 0.857747 0.063179 0.809946 0.046 Uiso 1 1 calc R . . . .
C19 C 1.0624(3) 0.0587(3) 0.7960(2) 0.0453(7) Uani 1 1 d . . . . .
H19 H 1.068920 0.032355 0.863024 0.054 Uiso 1 1 calc R . . . .
C20 C 1.1784(3) 0.0796(2) 0.7290(2) 0.0456(7) Uani 1 1 d . . . . .
H20 H 1.263628 0.069667 0.750963 0.055 Uiso 1 1 calc R . . . .
C21 C 1.1708(3) 0.1142(2) 0.6316(2) 0.0407(6) Uani 1 1 d . . . . .
H21 H 1.251027 0.125696 0.585996 0.049 Uiso 1 1 calc R . . . .
C22 C 1.0451(2) 0.13256(19) 0.59965(19) 0.0315(5) Uani 1 1 d . . . . .
H22 H 1.039608 0.157312 0.532277 0.038 Uiso 1 1 calc R . . . .
C23 C 0.8193(3) 0.4356(2) 0.78506(17) 0.0304(5) Uani 1 1 d . . . . .
C24 C 0.9089(3) 0.3434(2) 0.7927(2) 0.0426(6) Uani 1 1 d . . . . .
H24 H 0.886958 0.285787 0.773785 0.051 Uiso 1 1 calc R . . . .
C25 C 1.0302(3) 0.3347(3) 0.8276(3) 0.0563(9) Uani 1 1 d . . . . .
H25 H 1.091190 0.271374 0.831887 0.068 Uiso 1 1 calc R . . . .
C26 C 1.0621(3) 0.4162(3) 0.8557(3) 0.0555(9) Uani 1 1 d . . . . .
H26 H 1.145386 0.409767 0.879520 0.067 Uiso 1 1 calc R . . . .
C27 C 0.9742(4) 0.5080(3) 0.8498(2) 0.0543(9) Uani 1 1 d . . . . .
H27 H 0.996692 0.564642 0.870071 0.065 Uiso 1 1 calc R . . . .
C28 C 0.8524(3) 0.5184(2) 0.8144(2) 0.0412(6) Uani 1 1 d . . . . .
H28 H 0.792084 0.582001 0.810314 0.049 Uiso 1 1 calc R . . . .
C29 C 0.5291(3) 0.51336(19) 0.81331(17) 0.0300(5) Uani 1 1 d . . . . .
C30 C 0.5125(4) 0.6195(2) 0.8038(2) 0.0572(9) Uani 1 1 d . . . . .
H30 H 0.571241 0.658194 0.755286 0.069 Uiso 1 1 calc R . . . .
C31 C 0.4098(5) 0.6690(3) 0.8656(3) 0.0738(13) Uani 1 1 d . . . . .
H31 H 0.396826 0.741917 0.857702 0.089 Uiso 1 1 calc R . . . .
C32 C 0.3267(4) 0.6137(3) 0.9380(3) 0.0648(11) Uani 1 1 d . . . . .
H32 H 0.257677 0.648082 0.980768 0.078 Uiso 1 1 calc R . . . .
C33 C 0.3440(3) 0.5092(3) 0.9481(2) 0.0544(9) Uani 1 1 d . . . . .
H33 H 0.286816 0.470719 0.998154 0.065 Uiso 1 1 calc R . . . .
C34 C 0.4449(3) 0.4581(2) 0.88555(19) 0.0371(5) Uani 1 1 d . . . . .
H34 H 0.455597 0.385365 0.892741 0.045 Uiso 1 1 calc R . . . .
C35 C 0.6856(3) 0.52960(18) 0.61936(17) 0.0292(4) Uani 1 1 d . . . . .
C36 C 0.8118(3) 0.5532(2) 0.5711(2) 0.0384(6) Uani 1 1 d . . . . .
H36 H 0.889799 0.528907 0.602381 0.046 Uiso 1 1 calc R . . . .
C37 C 0.8251(4) 0.6121(2) 0.4772(2) 0.0480(7) Uani 1 1 d . . . . .
H37 H 0.912024 0.627803 0.444793 0.058 Uiso 1 1 calc R . . . .
C38 C 0.7124(4) 0.6479(2) 0.4309(2) 0.0484(7) Uani 1 1 d . . . . .
H38 H 0.721796 0.687362 0.366399 0.058 Uiso 1 1 calc R . . . .
C39 C 0.5873(4) 0.6260(3) 0.4785(2) 0.0498(8) Uani 1 1 d . . . . .
H39 H 0.509652 0.651691 0.446995 0.060 Uiso 1 1 calc R . . . .
C40 C 0.5719(3) 0.5669(2) 0.5719(2) 0.0394(6) Uani 1 1 d . . . . .
H40 H 0.484470 0.551824 0.603675 0.047 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 S1 2.5502(6) . ?
Ag1 P1 2.4477(6) . ?
Ag1 P2 2.4528(6) . ?
Ag1 N1 2.579(2) . ?
S1 C1 1.722(3) . ?
P1 C5 1.818(2) . ?
P1 C11 1.821(2) . ?
P1 C17 1.819(2) . ?
P2 C23 1.830(2) . ?
P2 C29 1.824(2) . ?
P2 C35 1.827(2) . ?
O1S H1S 0.8400 . ?
O1S C1S 1.386(6) . ?
N1 C1 1.354(3) . ?
N1 C4 1.337(3) . ?
N2 C1 1.354(3) . ?
N2 C2 1.348(5) . ?
C1S H1SA 0.9800 . ?
C1S H1SB 0.9800 . ?
C1S H1SC 0.9800 . ?
C2 H2 0.9500 . ?
C2 C3 1.357(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.374(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.390(4) . ?
C5 C10 1.393(4) . ?
C6 H6 0.9500 . ?
C6 C7 1.388(4) . ?
C7 H7 0.9500 . ?
C7 C8 1.391(5) . ?
C8 H8 0.9500 . ?
C8 C9 1.379(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.384(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.391(3) . ?
C11 C16 1.388(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.382(4) . ?
C13 H13 0.9500 . ?
C13 C14 1.388(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.380(5) . ?
C15 H15 0.9500 . ?
C15 C16 1.391(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.397(3) . ?
C17 C22 1.385(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.385(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.392(5) . ?
C20 H20 0.9500 . ?
C20 C21 1.371(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.393(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.387(4) . ?
C23 C28 1.388(4) . ?
C24 H24 0.9500 . ?
C24 C25 1.387(4) . ?
C25 H25 0.9500 . ?
C25 C26 1.358(5) . ?
C26 H26 0.9500 . ?
C26 C27 1.375(5) . ?
C27 H27 0.9500 . ?
C27 C28 1.391(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.386(4) . ?
C29 C34 1.379(4) . ?
C30 H30 0.9500 . ?
C30 C31 1.388(5) . ?
C31 H31 0.9500 . ?
C31 C32 1.374(6) . ?
C32 H32 0.9500 . ?
C32 C33 1.365(6) . ?
C33 H33 0.9500 . ?
C33 C34 1.395(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.387(4) . ?
C35 C40 1.401(4) . ?
C36 H36 0.9500 . ?
C36 C37 1.390(4) . ?
C37 H37 0.9500 . ?
C37 C38 1.382(5) . ?
C38 H38 0.9500 . ?
C38 C39 1.367(5) . ?
C39 H39 0.9500 . ?
C39 C40 1.386(4) . ?
C40 H40 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
S1 Ag1 N1 61.89(5) . . ?
P1 Ag1 S1 115.58(2) . . ?
P1 Ag1 P2 125.17(2) . . ?
P1 Ag1 N1 105.16(5) . . ?
P2 Ag1 S1 118.61(2) . . ?
P2 Ag1 N1 106.64(5) . . ?
C1 S1 Ag1 86.55(9) . . ?
C5 P1 Ag1 118.20(8) . . ?
C5 P1 C11 103.59(10) . . ?
C5 P1 C17 104.72(11) . . ?
C11 P1 Ag1 114.75(8) . . ?
C17 P1 Ag1 109.85(8) . . ?
C17 P1 C11 104.41(10) . . ?
C23 P2 Ag1 111.83(8) . . ?
C29 P2 Ag1 113.71(9) . . ?
C29 P2 C23 105.30(11) . . ?
C29 P2 C35 104.18(11) . . ?
C35 P2 Ag1 117.10(8) . . ?
C35 P2 C23 103.52(11) . . ?
C1S O1S H1S 109.5 . . ?
C1 N1 Ag1 93.76(14) . . ?
C4 N1 Ag1 148.0(2) . . ?
C4 N1 C1 118.1(2) . . ?
C2 N2 C1 116.0(3) . . ?
N1 C1 S1 117.58(17) . . ?
N1 C1 N2 123.5(3) . . ?
N2 C1 S1 119.0(2) . . ?
O1S C1S H1SA 109.5 . . ?
O1S C1S H1SB 109.5 . . ?
O1S C1S H1SC 109.5 . . ?
H1SA C1S H1SB 109.5 . . ?
H1SA C1S H1SC 109.5 . . ?
H1SB C1S H1SC 109.5 . . ?
N2 C2 H2 118.1 . . ?
N2 C2 C3 123.8(3) . . ?
C3 C2 H2 118.1 . . ?
C2 C3 H3 121.6 . . ?
C2 C3 C4 116.9(3) . . ?
C4 C3 H3 121.6 . . ?
N1 C4 C3 121.7(3) . . ?
N1 C4 H4 119.1 . . ?
C3 C4 H4 119.1 . . ?
C6 C5 P1 123.52(19) . . ?
C6 C5 C10 119.1(2) . . ?
C10 C5 P1 117.3(2) . . ?
C5 C6 H6 119.9 . . ?
C7 C6 C5 120.2(3) . . ?
C7 C6 H6 119.9 . . ?
C6 C7 H7 120.0 . . ?
C6 C7 C8 120.0(3) . . ?
C8 C7 H7 120.0 . . ?
C7 C8 H8 120.0 . . ?
C9 C8 C7 119.9(3) . . ?
C9 C8 H8 120.0 . . ?
C8 C9 H9 120.0 . . ?
C8 C9 C10 120.1(3) . . ?
C10 C9 H9 120.0 . . ?
C5 C10 H10 119.7 . . ?
C9 C10 C5 120.6(3) . . ?
C9 C10 H10 119.7 . . ?
C12 C11 P1 118.26(18) . . ?
C16 C11 P1 122.92(18) . . ?
C16 C11 C12 118.8(2) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 C11 120.9(3) . . ?
C13 C12 H12 119.6 . . ?
C12 C13 H13 120.1 . . ?
C12 C13 C14 119.8(3) . . ?
C14 C13 H13 120.1 . . ?
C13 C14 H14 120.0 . . ?
C15 C14 C13 119.9(3) . . ?
C15 C14 H14 120.0 . . ?
C14 C15 H15 120.0 . . ?
C14 C15 C16 120.1(3) . . ?
C16 C15 H15 120.0 . . ?
C11 C16 C15 120.4(3) . . ?
C11 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C18 C17 P1 117.45(19) . . ?
C22 C17 P1 122.77(18) . . ?
C22 C17 C18 119.5(2) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 C17 120.1(3) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 H19 120.2 . . ?
C18 C19 C20 119.6(3) . . ?
C20 C19 H19 120.2 . . ?
C19 C20 H20 119.7 . . ?
C21 C20 C19 120.6(3) . . ?
C21 C20 H20 119.7 . . ?
C20 C21 H21 120.1 . . ?
C20 C21 C22 119.8(3) . . ?
C22 C21 H21 120.1 . . ?
C17 C22 C21 120.2(2) . . ?
C17 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C24 C23 P2 117.9(2) . . ?
C24 C23 C28 118.8(3) . . ?
C28 C23 P2 123.3(2) . . ?
C23 C24 H24 119.7 . . ?
C23 C24 C25 120.6(3) . . ?
C25 C24 H24 119.7 . . ?
C24 C25 H25 119.9 . . ?
C26 C25 C24 120.3(3) . . ?
C26 C25 H25 119.9 . . ?
C25 C26 H26 119.9 . . ?
C25 C26 C27 120.2(3) . . ?
C27 C26 H26 119.9 . . ?
C26 C27 H27 119.8 . . ?
C26 C27 C28 120.3(3) . . ?
C28 C27 H27 119.8 . . ?
C23 C28 C27 119.8(3) . . ?
C23 C28 H28 120.1 . . ?
C27 C28 H28 120.1 . . ?
C30 C29 P2 123.0(2) . . ?
C34 C29 P2 117.63(19) . . ?
C34 C29 C30 119.4(3) . . ?
C29 C30 H30 120.1 . . ?
C29 C30 C31 119.7(4) . . ?
C31 C30 H30 120.1 . . ?
C30 C31 H31 119.6 . . ?
C32 C31 C30 120.8(3) . . ?
C32 C31 H31 119.6 . . ?
C31 C32 H32 120.3 . . ?
C33 C32 C31 119.5(3) . . ?
C33 C32 H32 120.3 . . ?
C32 C33 H33 119.7 . . ?
C32 C33 C34 120.7(3) . . ?
C34 C33 H33 119.7 . . ?
C29 C34 C33 120.0(3) . . ?
C29 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C36 C35 P2 123.13(19) . . ?
C36 C35 C40 118.7(2) . . ?
C40 C35 P2 117.91(19) . . ?
C35 C36 H36 119.7 . . ?
C35 C36 C37 120.5(3) . . ?
C37 C36 H36 119.7 . . ?
C36 C37 H37 119.8 . . ?
C38 C37 C36 120.3(3) . . ?
C38 C37 H37 119.8 . . ?
C37 C38 H38 120.2 . . ?
C39 C38 C37 119.5(3) . . ?
C39 C38 H38 120.2 . . ?
C38 C39 H39 119.5 . . ?
C38 C39 C40 121.1(3) . . ?
C40 C39 H39 119.5 . . ?
C35 C40 H40 120.0 . . ?
C39 C40 C35 119.9(3) . . ?
C39 C40 H40 120.0 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O1S H1S N2 0.84 2.04 2.863(4) 166.3 . yes

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
Ag1 S1 C1 N1 -4.70(19) . . . . ?
Ag1 S1 C1 N2 175.2(2) . . . . ?
Ag1 P1 C5 C6 -135.05(19) . . . . ?
Ag1 P1 C5 C10 47.2(2) . . . . ?
Ag1 P1 C11 C12 32.8(2) . . . . ?
Ag1 P1 C11 C16 -147.22(18) . . . . ?
Ag1 P1 C17 C18 52.3(2) . . . . ?
Ag1 P1 C17 C22 -121.52(19) . . . . ?
Ag1 P2 C23 C24 14.6(2) . . . . ?
Ag1 P2 C23 C28 -165.21(19) . . . . ?
Ag1 P2 C29 C30 -160.8(2) . . . . ?
Ag1 P2 C29 C34 21.4(2) . . . . ?
Ag1 P2 C35 C36 -104.7(2) . . . . ?
Ag1 P2 C35 C40 68.9(2) . . . . ?
Ag1 N1 C1 S1 4.65(19) . . . . ?
Ag1 N1 C1 N2 -175.2(2) . . . . ?
Ag1 N1 C4 C3 173.7(3) . . . . ?
P1 C5 C6 C7 -175.6(2) . . . . ?
P1 C5 C10 C9 174.9(2) . . . . ?
P1 C11 C12 C13 179.6(2) . . . . ?
P1 C11 C16 C15 178.4(2) . . . . ?
P1 C17 C18 C19 -172.9(2) . . . . ?
P1 C17 C22 C21 172.6(2) . . . . ?
P2 C23 C24 C25 179.2(3) . . . . ?
P2 C23 C28 C27 -179.6(2) . . . . ?
P2 C29 C30 C31 -179.1(3) . . . . ?
P2 C29 C34 C33 178.0(2) . . . . ?
P2 C35 C36 C37 173.1(2) . . . . ?
P2 C35 C40 C39 -173.7(2) . . . . ?
N2 C2 C3 C4 0.3(6) . . . . ?
C1 N1 C4 C3 -1.1(4) . . . . ?
C1 N2 C2 C3 0.5(5) . . . . ?
C2 N2 C1 S1 178.4(2) . . . . ?
C2 N2 C1 N1 -1.7(4) . . . . ?
C2 C3 C4 N1 0.0(5) . . . . ?
C4 N1 C1 S1 -178.1(2) . . . . ?
C4 N1 C1 N2 2.0(4) . . . . ?
C5 P1 C11 C12 163.1(2) . . . . ?
C5 P1 C11 C16 -16.9(2) . . . . ?
C5 P1 C17 C18 -75.6(2) . . . . ?
C5 P1 C17 C22 110.6(2) . . . . ?
C5 C6 C7 C8 0.8(4) . . . . ?
C6 C5 C10 C9 -2.9(4) . . . . ?
C6 C7 C8 C9 -2.9(5) . . . . ?
C7 C8 C9 C10 2.1(5) . . . . ?
C8 C9 C10 C5 0.8(4) . . . . ?
C10 C5 C6 C7 2.1(4) . . . . ?
C11 P1 C5 C6 96.7(2) . . . . ?
C11 P1 C5 C10 -81.0(2) . . . . ?
C11 P1 C17 C18 175.9(2) . . . . ?
C11 P1 C17 C22 2.0(2) . . . . ?
C11 C12 C13 C14 2.1(5) . . . . ?
C12 C11 C16 C15 -1.6(4) . . . . ?
C12 C13 C14 C15 -2.0(6) . . . . ?
C13 C14 C15 C16 0.1(5) . . . . ?
C14 C15 C16 C11 1.7(5) . . . . ?
C16 C11 C12 C13 -0.4(4) . . . . ?
C17 P1 C5 C6 -12.4(2) . . . . ?
C17 P1 C5 C10 169.8(2) . . . . ?
C17 P1 C11 C12 -87.5(2) . . . . ?
C17 P1 C11 C16 92.5(2) . . . . ?
C17 C18 C19 C20 0.5(5) . . . . ?
C18 C17 C22 C21 -1.1(4) . . . . ?
C18 C19 C20 C21 -2.3(5) . . . . ?
C19 C20 C21 C22 2.4(5) . . . . ?
C20 C21 C22 C17 -0.7(4) . . . . ?
C22 C17 C18 C19 1.2(4) . . . . ?
C23 P2 C29 C30 76.4(3) . . . . ?
C23 P2 C29 C34 -101.3(2) . . . . ?
C23 P2 C35 C36 18.9(2) . . . . ?
C23 P2 C35 C40 -167.6(2) . . . . ?
C23 C24 C25 C26 0.6(5) . . . . ?
C24 C23 C28 C27 0.5(4) . . . . ?
C24 C25 C26 C27 0.1(6) . . . . ?
C25 C26 C27 C28 -0.5(5) . . . . ?
C26 C27 C28 C23 0.2(5) . . . . ?
C28 C23 C24 C25 -0.9(5) . . . . ?
C29 P2 C23 C24 138.6(2) . . . . ?
C29 P2 C23 C28 -41.2(2) . . . . ?
C29 P2 C35 C36 128.8(2) . . . . ?
C29 P2 C35 C40 -57.7(2) . . . . ?
C29 C30 C31 C32 1.9(6) . . . . ?
C30 C29 C34 C33 0.2(4) . . . . ?
C30 C31 C32 C33 -1.2(6) . . . . ?
C31 C32 C33 C34 -0.1(5) . . . . ?
C32 C33 C34 C29 0.6(5) . . . . ?
C34 C29 C30 C31 -1.4(5) . . . . ?
C35 P2 C23 C24 -112.3(2) . . . . ?
C35 P2 C23 C28 67.8(2) . . . . ?
C35 P2 C29 C30 -32.2(3) . . . . ?
C35 P2 C29 C34 150.0(2) . . . . ?
C35 C36 C37 C38 0.0(5) . . . . ?
C36 C35 C40 C39 0.1(4) . . . . ?
C36 C37 C38 C39 0.8(5) . . . . ?
C37 C38 C39 C40 -1.1(5) . . . . ?
C38 C39 C40 C35 0.7(5) . . . . ?
C40 C35 C36 C37 -0.5(4) . . . . ?

_olex2_exptl_crystal_mounting_method 'POLYMER LOOP'
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.092
_oxdiff_exptl_absorpt_empirical_full_min 0.919
####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 1878472'
loop_
_audit_author_name
_audit_author_address
'Tarlok Singh Lobana'
;Guru Nanak Dev University Amritsar 143005
India
;
_audit_update_record             
;
2018-11-11 deposited with the CCDC.	2019-04-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C60 H52 Ag2 N8 P4 S2, 2(N O3), 2(H2 O)'
_chemical_formula_sum            'C60 H56 Ag2 N10 O8 P4 S2'
_chemical_formula_weight         1448.88

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

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

_cell_length_a                   25.2895(7)
_cell_length_b                   13.2208(2)
_cell_length_c                   23.5888(7)
_cell_angle_alpha                90
_cell_angle_beta                 125.671(4)
_cell_angle_gamma                90
_cell_volume                     6407.1(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6324
_cell_measurement_theta_min      3.5100
_cell_measurement_theta_max      71.3810

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.502
_exptl_crystal_F_000             2944
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_exptl_absorpt_coefficient_mu    6.958
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.38767
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.0416
_diffrn_reflns_number            12856
_diffrn_reflns_av_unetI/netI     0.0335
_diffrn_reflns_av_R_equivalents  0.0264
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         3.501
_diffrn_reflns_theta_max         71.464
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             6067
_reflns_number_gt                5309
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_refine_special_details          
;
 Refined as a 2-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0707P)²+2.9803P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6067
_refine_ls_number_parameters     447
_refine_ls_number_restraints     223
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0383
_refine_ls_wR_factor_ref         0.1101
_refine_ls_wR_factor_gt          0.1040
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1A Ag 0.49567(2) 0.62594(2) 0.47731(2) 0.04198(8) Uani 1 1 d . . . . .
S1A S 0.52414(4) 0.75157(6) 0.58321(4) 0.04858(18) Uani 1 1 d . . . . .
P1A P 0.38645(3) 0.58046(5) 0.37921(3) 0.03333(15) Uani 1 1 d . . . . .
P2A P 0.38795(3) 0.41170(6) 0.46491(3) 0.03401(15) Uani 1 1 d . . . . .
N1A N 0.50168(13) 0.7990(2) 0.43332(14) 0.0492(6) Uani 1 1 d . . . . .
N2A N 0.53943(15) 0.9342(3) 0.41092(16) 0.0583(7) Uani 1 1 d . . . . .
H2A H 0.546939 0.974832 0.387919 0.096(19) Uiso 1 1 calc R . . . .
N3A N 0.59304(15) 1.0224(2) 0.52171(17) 0.0569(7) Uani 1 1 d . . . . .
N4A N 0.58138(13) 0.9307(2) 0.59953(15) 0.0481(6) Uani 1 1 d . . . . .
H4A H 0.589(2) 0.931(3) 0.640(2) 0.054(11) Uiso 1 1 d . . . . .
C1A C 0.50619(18) 0.8464(3) 0.38783(19) 0.0575(9) Uani 1 1 d . . . . .
H1A H 0.487965 0.821612 0.343119 0.069 Uiso 1 1 calc R U . . .
C2A C 0.55874(15) 0.9457(3) 0.47767(18) 0.0485(7) Uani 1 1 d . . . . .
C3A C 0.60263(18) 1.0103(3) 0.5815(2) 0.0560(8) Uani 1 1 d . . . . .
H3A H 0.626021 1.060324 0.614931 0.067 Uiso 1 1 calc R U . . .
C4A C 0.54715(14) 0.8501(2) 0.55696(17) 0.0433(7) Uani 1 1 d . . . . .
C5A C 0.53507(15) 0.8612(2) 0.49131(17) 0.0432(7) Uani 1 1 d . . . . .
C6A C 0.35190(13) 0.4556(2) 0.37573(14) 0.0377(6) Uani 1 1 d . . . . .
H6AA H 0.305030 0.460805 0.350452 0.045 Uiso 1 1 calc R U . . .
H6AB H 0.361201 0.407562 0.351514 0.045 Uiso 1 1 calc R U . . .
C7A C 0.38914(13) 0.5825(3) 0.30358(14) 0.0400(6) Uani 1 1 d . . . . .
C8A C 0.37909(17) 0.6722(3) 0.26842(18) 0.0539(8) Uani 1 1 d . . . . .
H8A H 0.365325 0.729505 0.279333 0.065 Uiso 1 1 calc R U . . .
C9A C 0.3895(2) 0.6769(4) 0.2169(2) 0.0723(12) Uani 1 1 d . . . . .
H9A H 0.382830 0.737381 0.193494 0.087 Uiso 1 1 calc R U . . .
C10A C 0.4097(2) 0.5927(5) 0.2002(2) 0.0810(14) Uani 1 1 d . . . . .
H10A H 0.416950 0.596323 0.165858 0.097 Uiso 1 1 calc R U . . .
C11A C 0.4193(2) 0.5024(4) 0.2348(2) 0.0713(11) Uani 1 1 d . . . . .
H11A H 0.432342 0.444986 0.223183 0.086 Uiso 1 1 calc R U . . .
C12A C 0.40960(17) 0.4978(3) 0.28635(18) 0.0534(8) Uani 1 1 d . . . . .
H12A H 0.416802 0.437260 0.309946 0.064 Uiso 1 1 calc R U . . .
C13A C 0.32224(13) 0.6691(2) 0.35816(15) 0.0377(6) Uani 1 1 d . . . . .
C14A C 0.25950(15) 0.6588(3) 0.29694(18) 0.0516(8) Uani 1 1 d . . . . .
H14A H 0.250135 0.606805 0.265820 0.062 Uiso 1 1 calc R U . . .
C15A C 0.21130(16) 0.7261(3) 0.2827(2) 0.0636(10) Uani 1 1 d . . . . .
H15A H 0.169544 0.719783 0.241766 0.076 Uiso 1 1 calc R U . . .
C16A C 0.22526(17) 0.8027(3) 0.3292(2) 0.0635(10) Uani 1 1 d . . . . .
H16A H 0.192834 0.848112 0.319299 0.076 Uiso 1 1 calc R U . . .
C17A C 0.28688(18) 0.8125(3) 0.3902(2) 0.0576(9) Uani 1 1 d . . . . .
H17A H 0.295749 0.863815 0.421506 0.069 Uiso 1 1 calc R U . . .
C18A C 0.33574(14) 0.7456(3) 0.40479(17) 0.0447(7) Uani 1 1 d . . . . .
H18A H 0.377385 0.752270 0.445815 0.054 Uiso 1 1 calc R U . . .
C19A C 0.34039(12) 0.3008(2) 0.45497(16) 0.0384(6) Uani 1 1 d . . . . .
C20A C 0.34319(17) 0.2682(3) 0.5125(2) 0.0530(8) Uani 1 1 d . . . . .
H20A H 0.366121 0.305965 0.553423 0.064 Uiso 1 1 calc R U . . .
C21A C 0.31201(19) 0.1797(3) 0.5095(2) 0.0616(9) Uani 1 1 d . . . . .
H21A H 0.313745 0.158667 0.548178 0.074 Uiso 1 1 calc R U . . .
C22A C 0.27868(19) 0.1234(3) 0.4494(3) 0.0626(10) Uani 1 1 d . . . . .
H22A H 0.258023 0.063865 0.447399 0.075 Uiso 1 1 calc R U . . .
C23A C 0.27580(18) 0.1546(3) 0.3924(2) 0.0620(10) Uani 1 1 d . . . . .
H23A H 0.253243 0.115974 0.351870 0.074 Uiso 1 1 calc R U . . .
C24A C 0.30609(15) 0.2433(3) 0.39427(18) 0.0502(8) Uani 1 1 d . . . . .
H24A H 0.303465 0.264156 0.355050 0.060 Uiso 1 1 calc R U . . .
C25A C 0.3627(3) 0.5051(5) 0.5023(3) 0.043(2) Uani 0.487(12) 1 d G U P A 1
C26A C 0.2992(3) 0.5307(6) 0.4768(4) 0.0484(16) Uani 0.487(12) 1 d G U P A 1
H26A H 0.264503 0.496580 0.438485 0.058 Uiso 0.487(12) 1 calc R U P A 1
C27A C 0.2875(4) 0.6073(6) 0.5085(5) 0.0555(17) Uani 0.487(12) 1 d G U P A 1
H27A H 0.244932 0.624400 0.491443 0.067 Uiso 0.487(12) 1 calc R U P A 1
C28A C 0.3393(5) 0.6583(5) 0.5658(5) 0.0570(17) Uani 0.487(12) 1 d G U P A 1
H28A H 0.331447 0.709513 0.587000 0.068 Uiso 0.487(12) 1 calc R U P A 1
C29A C 0.4029(4) 0.6327(6) 0.5913(4) 0.0568(17) Uani 0.487(12) 1 d G U P A 1
H29A H 0.437535 0.666809 0.629597 0.068 Uiso 0.487(12) 1 calc R U P A 1
C30A C 0.4146(3) 0.5561(6) 0.5596(3) 0.0485(16) Uani 0.487(12) 1 d G U P A 1
H30A H 0.457108 0.538991 0.576638 0.058 Uiso 0.487(12) 1 calc R U P A 1
C25B C 0.3613(3) 0.5062(5) 0.4982(3) 0.043(2) Uani 0.513(12) 1 d G U P A 2
C26B C 0.2945(3) 0.5197(6) 0.4619(3) 0.0521(17) Uani 0.513(12) 1 d G U P A 2
H26B H 0.265985 0.480228 0.422955 0.062 Uiso 0.513(12) 1 calc R U P A 2
C27B C 0.2704(3) 0.5922(6) 0.4840(5) 0.0572(17) Uani 0.513(12) 1 d G U P A 2
H27B H 0.225710 0.601284 0.459736 0.069 Uiso 0.513(12) 1 calc R U P A 2
C28B C 0.3131(5) 0.6512(5) 0.5422(5) 0.0546(16) Uani 0.513(12) 1 d G U P A 2
H28B H 0.296916 0.699748 0.556991 0.066 Uiso 0.513(12) 1 calc R U P A 2
C29B C 0.3799(4) 0.6377(5) 0.5785(4) 0.0602(19) Uani 0.513(12) 1 d G U P A 2
H29B H 0.408399 0.677156 0.617465 0.072 Uiso 0.513(12) 1 calc R U P A 2
C30B C 0.4040(3) 0.5652(6) 0.5564(3) 0.0535(18) Uani 0.513(12) 1 d G U P A 2
H30B H 0.448677 0.556100 0.580685 0.064 Uiso 0.513(12) 1 calc R U P A 2
O1 O 0.6546(3) 1.0613(5) 0.8186(2) 0.1323(19) Uani 1 1 d . . . . .
O2 O 0.6780(2) 1.0657(4) 0.7440(2) 0.1092(13) Uani 1 1 d . . . . .
O3 O 0.60004(18) 0.9707(4) 0.72639(18) 0.0911(11) Uani 1 1 d . . . . .
N1 N 0.6448(2) 1.0346(4) 0.7627(2) 0.0841(12) Uani 1 1 d . . . . .
O1WA O 0.5665(4) 1.0372(7) 0.3310(4) 0.138(3) Uani 0.716(12) 1 d D U P B 1
H1W1 H 0.6063(9) 1.037(6) 0.362(2) 0.206 Uiso 0.716(12) 1 d D U P B 1
H1W2 H 0.560(4) 1.097(3) 0.318(6) 0.206 Uiso 0.716(12) 1 d D U P B 1
O1WB O 0.5883(14) 1.1102(19) 0.3572(13) 0.155(6) Uani 0.284(12) 1 d D U P B 2
H1W3 H 0.575(4) 1.142(7) 0.321(2) 0.233 Uiso 0.284(12) 1 d D U P B 2
H1W4 H 0.572(3) 1.141(9) 0.374(3) 0.233 Uiso 0.284(12) 1 d D 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
Ag1A P1A 2.4273(6) . ?
Ag1A P2A 2.4677(7) 5_666 ?
Ag1A N1A 2.553(3) . ?
Ag1A S1A 2.7239(9) . ?
S1A C4A 1.685(3) . ?
P1A C13A 1.821(3) . ?
P1A C7A 1.825(3) . ?
P1A C6A 1.848(3) . ?
P2A C25B 1.801(6) . ?
P2A C19A 1.823(3) . ?
P2A C6A 1.832(3) . ?
P2A C25A 1.835(6) . ?
N1A C1A 1.304(5) . ?
N1A C5A 1.383(4) . ?
N2A C1A 1.348(6) . ?
N2A C2A 1.358(5) . ?
N3A C3A 1.294(5) . ?
N3A C2A 1.345(5) . ?
N4A C3A 1.358(5) . ?
N4A C4A 1.371(4) . ?
C2A C5A 1.391(5) . ?
C4A C5A 1.400(5) . ?
C7A C8A 1.384(5) . ?
C7A C12A 1.390(5) . ?
C8A C9A 1.387(6) . ?
C9A C10A 1.375(8) . ?
C10A C11A 1.385(7) . ?
C11A C12A 1.375(6) . ?
C13A C18A 1.383(5) . ?
C13A C14A 1.396(4) . ?
C14A C15A 1.383(5) . ?
C15A C16A 1.378(6) . ?
C16A C17A 1.379(6) . ?
C17A C18A 1.389(5) . ?
C19A C20A 1.385(5) . ?
C19A C24A 1.390(5) . ?
C20A C21A 1.391(5) . ?
C21A C22A 1.372(7) . ?
C22A C23A 1.367(7) . ?
C23A C24A 1.386(5) . ?
C25A C26A 1.3900 . ?
C25A C30A 1.3900 . ?
C26A C27A 1.3900 . ?
C27A C28A 1.3900 . ?
C28A C29A 1.3900 . ?
C29A C30A 1.3900 . ?
C25B C26B 1.3900 . ?
C25B C30B 1.3900 . ?
C26B C27B 1.3900 . ?
C27B C28B 1.3900 . ?
C28B C29B 1.3900 . ?
C29B C30B 1.3900 . ?
O1 N1 1.242(6) . ?
O2 N1 1.224(7) . ?
O3 N1 1.264(6) . ?

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
P1A Ag1A P2A 143.54(3) . 5_666 ?
P1A Ag1A N1A 97.98(6) . . ?
P2A Ag1A N1A 94.06(6) 5_666 . ?
P1A Ag1A S1A 124.79(3) . . ?
P2A Ag1A S1A 91.39(3) 5_666 . ?
N1A Ag1A S1A 77.27(7) . . ?
C4A S1A Ag1A 95.61(12) . . ?
C13A P1A C7A 105.06(14) . . ?
C13A P1A C6A 103.87(13) . . ?
C7A P1A C6A 104.82(14) . . ?
C13A P1A Ag1A 116.02(10) . . ?
C7A P1A Ag1A 104.95(9) . . ?
C6A P1A Ag1A 120.64(9) . . ?
C25B P2A C19A 103.2(3) . . ?
C25B P2A C6A 102.6(2) . . ?
C19A P2A C6A 104.93(13) . . ?
C19A P2A C25A 102.4(3) . . ?
C6A P2A C25A 105.0(2) . . ?
C19A P2A Ag1A 113.18(9) . 5_666 ?
C6A P2A Ag1A 109.43(10) . 5_666 ?
C25A P2A Ag1A 120.47(18) . 5_666 ?
C1A N1A C5A 103.5(3) . . ?
C1A N1A Ag1A 145.0(3) . . ?
C5A N1A Ag1A 106.1(2) . . ?
C1A N2A C2A 106.4(3) . . ?
C3A N3A C2A 112.1(3) . . ?
C3A N4A C4A 124.7(3) . . ?
N1A C1A N2A 114.5(3) . . ?
N3A C2A N2A 127.9(3) . . ?
N3A C2A C5A 126.7(3) . . ?
N2A C2A C5A 105.4(3) . . ?
N3A C3A N4A 125.4(3) . . ?
N4A C4A C5A 111.5(3) . . ?
N4A C4A S1A 122.5(3) . . ?
C5A C4A S1A 126.0(3) . . ?
N1A C5A C2A 110.2(3) . . ?
N1A C5A C4A 130.2(3) . . ?
C2A C5A C4A 119.6(3) . . ?
P2A C6A P1A 109.03(14) . . ?
C8A C7A C12A 119.0(3) . . ?
C8A C7A P1A 120.0(3) . . ?
C12A C7A P1A 120.5(3) . . ?
C7A C8A C9A 120.0(4) . . ?
C10A C9A C8A 120.5(4) . . ?
C9A C10A C11A 119.7(4) . . ?
C12A C11A C10A 119.9(4) . . ?
C11A C12A C7A 120.8(4) . . ?
C18A C13A C14A 119.9(3) . . ?
C18A C13A P1A 119.1(2) . . ?
C14A C13A P1A 121.0(3) . . ?
C15A C14A C13A 119.9(4) . . ?
C16A C15A C14A 119.9(3) . . ?
C15A C16A C17A 120.6(3) . . ?
C16A C17A C18A 120.0(4) . . ?
C13A C18A C17A 119.8(3) . . ?
C20A C19A C24A 118.9(3) . . ?
C20A C19A P2A 118.1(3) . . ?
C24A C19A P2A 122.8(2) . . ?
C19A C20A C21A 120.6(4) . . ?
C22A C21A C20A 119.9(4) . . ?
C23A C22A C21A 120.0(3) . . ?
C22A C23A C24A 120.9(4) . . ?
C23A C24A C19A 119.8(4) . . ?
C26A C25A C30A 120.0 . . ?
C26A C25A P2A 126.4(3) . . ?
C30A C25A P2A 113.5(3) . . ?
C25A C26A C27A 120.0 . . ?
C26A C27A C28A 120.0 . . ?
C27A C28A C29A 120.0 . . ?
C30A C29A C28A 120.0 . . ?
C29A C30A C25A 120.0 . . ?
C26B C25B C30B 120.0 . . ?
C26B C25B P2A 116.8(3) . . ?
C30B C25B P2A 123.2(3) . . ?
C27B C26B C25B 120.0 . . ?
C28B C27B C26B 120.0 . . ?
C27B C28B C29B 120.0 . . ?
C30B C29B C28B 120.0 . . ?
C29B C30B C25B 120.0 . . ?
O2 N1 O1 122.1(6) . . ?
O2 N1 O3 120.7(5) . . ?
O1 N1 O3 117.1(6) . . ?

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
C5A N1A C1A N2A -0.2(4) . . . . ?
Ag1A N1A C1A N2A -147.3(3) . . . . ?
C2A N2A C1A N1A 0.2(5) . . . . ?
C3A N3A C2A N2A 179.3(3) . . . . ?
C3A N3A C2A C5A -0.2(5) . . . . ?
C1A N2A C2A N3A -179.6(3) . . . . ?
C1A N2A C2A C5A -0.1(4) . . . . ?
C2A N3A C3A N4A 0.1(5) . . . . ?
C4A N4A C3A N3A 1.0(6) . . . . ?
C3A N4A C4A C5A -1.6(5) . . . . ?
C3A N4A C4A S1A 178.0(3) . . . . ?
Ag1A S1A C4A N4A -164.7(3) . . . . ?
Ag1A S1A C4A C5A 14.8(3) . . . . ?
C1A N1A C5A C2A 0.1(4) . . . . ?
Ag1A N1A C5A C2A 161.2(2) . . . . ?
C1A N1A C5A C4A -179.7(3) . . . . ?
Ag1A N1A C5A C4A -18.6(4) . . . . ?
N3A C2A C5A N1A 179.5(3) . . . . ?
N2A C2A C5A N1A -0.1(4) . . . . ?
N3A C2A C5A C4A -0.6(5) . . . . ?
N2A C2A C5A C4A 179.8(3) . . . . ?
N4A C4A C5A N1A -178.8(3) . . . . ?
S1A C4A C5A N1A 1.6(5) . . . . ?
N4A C4A C5A C2A 1.4(4) . . . . ?
S1A C4A C5A C2A -178.2(2) . . . . ?
C25B P2A C6A P1A 62.7(3) . . . . ?
C19A P2A C6A P1A 170.23(15) . . . . ?
C25A P2A C6A P1A 62.6(3) . . . . ?
Ag1A P2A C6A P1A -68.03(15) 5_666 . . . ?
C13A P1A C6A P2A -102.98(16) . . . . ?
C7A P1A C6A P2A 147.01(15) . . . . ?
Ag1A P1A C6A P2A 29.19(19) . . . . ?
C13A P1A C7A C8A 37.0(3) . . . . ?
C6A P1A C7A C8A 146.1(2) . . . . ?
Ag1A P1A C7A C8A -85.8(2) . . . . ?
C13A P1A C7A C12A -151.5(2) . . . . ?
C6A P1A C7A C12A -42.4(3) . . . . ?
Ag1A P1A C7A C12A 85.6(2) . . . . ?
C12A C7A C8A C9A -0.1(5) . . . . ?
P1A C7A C8A C9A 171.5(3) . . . . ?
C7A C8A C9A C10A 0.1(6) . . . . ?
C8A C9A C10A C11A 0.4(7) . . . . ?
C9A C10A C11A C12A -1.0(7) . . . . ?
C10A C11A C12A C7A 1.1(6) . . . . ?
C8A C7A C12A C11A -0.5(5) . . . . ?
P1A C7A C12A C11A -172.1(3) . . . . ?
C7A P1A C13A C18A -127.0(3) . . . . ?
C6A P1A C13A C18A 123.1(3) . . . . ?
Ag1A P1A C13A C18A -11.7(3) . . . . ?
C7A P1A C13A C14A 54.9(3) . . . . ?
C6A P1A C13A C14A -54.9(3) . . . . ?
Ag1A P1A C13A C14A 170.3(2) . . . . ?
C18A C13A C14A C15A 1.0(5) . . . . ?
P1A C13A C14A C15A 179.0(3) . . . . ?
C13A C14A C15A C16A -0.5(6) . . . . ?
C14A C15A C16A C17A -0.4(7) . . . . ?
C15A C16A C17A C18A 0.8(6) . . . . ?
C14A C13A C18A C17A -0.6(5) . . . . ?
P1A C13A C18A C17A -178.6(3) . . . . ?
C16A C17A C18A C13A -0.3(6) . . . . ?
C25B P2A C19A C20A -54.4(3) . . . . ?
C6A P2A C19A C20A -161.6(3) . . . . ?
C25A P2A C19A C20A -52.1(3) . . . . ?
Ag1A P2A C19A C20A 79.2(3) 5_666 . . . ?
C25B P2A C19A C24A 131.0(3) . . . . ?
C6A P2A C19A C24A 23.9(3) . . . . ?
C25A P2A C19A C24A 133.4(3) . . . . ?
Ag1A P2A C19A C24A -95.4(3) 5_666 . . . ?
C24A C19A C20A C21A -0.2(5) . . . . ?
P2A C19A C20A C21A -175.0(3) . . . . ?
C19A C20A C21A C22A 0.6(6) . . . . ?
C20A C21A C22A C23A -0.4(6) . . . . ?
C21A C22A C23A C24A -0.2(6) . . . . ?
C22A C23A C24A C19A 0.6(6) . . . . ?
C20A C19A C24A C23A -0.4(5) . . . . ?
P2A C19A C24A C23A 174.1(3) . . . . ?
C19A P2A C25A C26A -50.7(5) . . . . ?
C6A P2A C25A C26A 58.7(5) . . . . ?
Ag1A P2A C25A C26A -177.4(3) 5_666 . . . ?
C19A P2A C25A C30A 132.7(3) . . . . ?
C6A P2A C25A C30A -117.9(3) . . . . ?
Ag1A P2A C25A C30A 6.0(4) 5_666 . . . ?
C30A C25A C26A C27A 0.0 . . . . ?
P2A C25A C26A C27A -176.4(6) . . . . ?
C25A C26A C27A C28A 0.0 . . . . ?
C26A C27A C28A C29A 0.0 . . . . ?
C27A C28A C29A C30A 0.0 . . . . ?
C28A C29A C30A C25A 0.0 . . . . ?
C26A C25A C30A C29A 0.0 . . . . ?
P2A C25A C30A C29A 176.8(5) . . . . ?
C19A P2A C25B C26B -50.6(4) . . . . ?
C6A P2A C25B C26B 58.3(4) . . . . ?
Ag1A P2A C25B C26B -179.0(3) 5_666 . . . ?
C19A P2A C25B C30B 130.3(4) . . . . ?
C6A P2A C25B C30B -120.8(4) . . . . ?
Ag1A P2A C25B C30B 1.9(5) 5_666 . . . ?
C30B C25B C26B C27B 0.0 . . . . ?
P2A C25B C26B C27B -179.1(5) . . . . ?
C25B C26B C27B C28B 0.0 . . . . ?
C26B C27B C28B C29B 0.0 . . . . ?
C27B C28B C29B C30B 0.0 . . . . ?
C28B C29B C30B C25B 0.0 . . . . ?
C26B C25B C30B C29B 0.0 . . . . ?
P2A C25B C30B C29B 179.0(5) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
N2A H2A O1WA^a 0.86 1.87 2.717(7) 167.4 . yes
N2A H2A O1WB^b 0.86 2.39 3.22(3) 163.1 . yes
N4A H4A O3 0.86(4) 1.96(5) 2.795(5) 164(4) . yes
C3A H3A O2 0.93 2.52 3.216(6) 132.1 . yes
C26B^b H26B^b O1 0.93 2.49 3.338(8) 151.5 8_465 yes

_refine_diff_density_max         1.160
_refine_diff_density_min         -0.441
_refine_diff_density_rms         0.082

####################################################################### 
# 
# 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_6
_database_code_depnum_ccdc_archive 'CCDC 1878468'
loop_
_audit_author_name
_audit_author_address
'Tarlok Singh Lobana'
;Guru Nanak Dev University Amritsar 143005
India
;
_audit_update_record             
;
2018-11-11 deposited with the CCDC.	2019-04-16 downloaded from the CCDC.
;
_audit_creation_date             2018-06-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C41 H34 Ag N4 P2 S, N O3'
_chemical_formula_sum            'C41 H34 Ag N5 O3 P2 S'
_chemical_formula_weight         846.60
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
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                   9.2210(3)
_cell_length_b                   25.4962(8)
_cell_length_c                   17.0609(5)
_cell_angle_alpha                90
_cell_angle_beta                 100.830(3)
_cell_angle_gamma                90
_cell_volume                     3939.6(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5549
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      71.2780
_cell_measurement_theta_min      5.1350
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.728
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.28361
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1728
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0407
_diffrn_reflns_av_unetI/netI     0.0502
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            16236
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.402
_diffrn_reflns_theta_min         4.358
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.0416
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -32.00   6.00   1.00    1.28    --   35.17 -77.00 -90.00   38
  2  ω     27.00  71.00   1.00    1.28    --   35.17 -99.00 -30.00   44
  3  ω     23.00  61.00   1.00    1.28    --   35.17 -77.00-150.00   38
  4  ω     45.00 113.00   1.00    5.15    --  108.00-111.00-180.00   68
  5  ω     49.00 125.00   1.00    5.15    --  108.00 -45.00-120.00   76
  6  ω     87.00 167.00   1.00    5.15    --  108.00  30.00 -30.00   80
  7  ω    144.00 173.00   1.00    5.15    --  108.00  61.00   0.00   29
  8  ω    107.00 133.00   1.00    5.15    --  108.00  61.00   0.00   26
  9  ω    111.00 170.00   1.00    5.15    --  108.00 111.00 -30.00   59
 10  ω    111.00 140.00   1.00    5.15    --  108.00 178.00-150.00   29
 11  ω     62.00 108.00   1.00    5.15    --  108.00 178.00-150.00   46
 12  ω     68.00 125.00   1.00    5.15    --  108.00 -30.00 150.00   57
 13  ω     41.00 116.00   1.00    5.15    --  108.00-111.00  60.00   75
 14  ω     50.00  75.00   1.00    5.15    --  108.00 -94.00 -30.00   25
 15  ω    -65.00 -39.00   1.00    1.28    --  -33.50-178.00-120.00   26
 16  ω   -105.00 -35.00   1.00    1.28    --  -33.50-178.00-180.00   70
 17  ω    -98.00 -23.00   1.00    1.28    --  -33.50 -57.00  30.00   75
 18  ω    -89.00 -33.00   1.00    1.28    --  -33.50 178.00  90.00   56
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku, Oxford diffraction'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6025
_reflns_number_total             7485
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.114
_refine_diff_density_min         -0.612
_refine_diff_density_rms         0.079
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     482
_refine_ls_number_reflns         7485
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0608
_refine_ls_R_factor_gt           0.0464
_refine_ls_restrained_S_all      1.026
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0696P)²+0.7480P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1153
_refine_ls_wR_factor_ref         0.1253
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 N2A(H2A), C1A(H1A), C3A(H3A), C7A(H7A), C8A(H8A), C9A(H9A), C10A(H10A),
 C11A(H11A), C13A(H13A), C14A(H14A), C15A(H15A), C16A(H16A), C17A(H17A),
 C19A(H19A), C20A(H20A), C21A(H21A), C22A(H22A), C23A(H23A), C25A(H25A),
 C26A(H26A), C27A(H27A), C28A(H28A), C29A(H29A), C31A(H31A), C32A(H32A),
 C33A(H33A), C34A(H34A), C35A(H35A), C37A(H37A), C38A(H38A), C39A(H39A),
 C40A(H40A), C41A(H41A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Ag1A Ag 0.26591(3) 0.66201(2) 0.71695(2) 0.04270(10) Uani 1 1 d . . . . .
S1A S 0.45280(11) 0.73338(4) 0.68238(6) 0.0472(2) Uani 1 1 d . . . . .
P1A P 0.34574(10) 0.65436(3) 0.86186(5) 0.03574(19) Uani 1 1 d . . . . .
P2A P 0.16293(10) 0.59645(3) 0.61875(5) 0.03615(19) Uani 1 1 d . . . . .
N1A N 0.0994(4) 0.73832(15) 0.6897(2) 0.0575(9) Uani 1 1 d . . . . .
N2A N -0.0414(4) 0.80965(19) 0.6744(3) 0.0707(12) Uani 1 1 d . . . . .
H2A H -0.118312 0.829074 0.672157 0.085 Uiso 1 1 calc R . . . .
N3A N 0.1377(5) 0.87356(16) 0.6449(3) 0.0677(11) Uani 1 1 d . . . . .
N4A N 0.3709(5) 0.83307(15) 0.6512(2) 0.0544(9) Uani 1 1 d . . . . .
C1A C -0.0308(5) 0.7581(2) 0.6903(4) 0.0696(13) Uani 1 1 d . . . . .
H1A H -0.109518 0.738211 0.700818 0.084 Uiso 1 1 calc R . . . .
C2A C 0.0946(6) 0.82503(18) 0.6625(3) 0.0594(11) Uani 1 1 d . . . . .
C3A C 0.2758(7) 0.87454(19) 0.6400(3) 0.0696(13) Uani 1 1 d . . . . .
H3A H 0.314077 0.906623 0.627804 0.084 Uiso 1 1 calc R . . . .
C4A C 0.3300(5) 0.78346(15) 0.6678(2) 0.0440(8) Uani 1 1 d . . . . .
C5A C 0.1805(5) 0.78025(17) 0.6724(2) 0.0494(9) Uani 1 1 d . . . . .
C6A C 0.2834(4) 0.70916(15) 0.9151(2) 0.0412(8) Uani 1 1 d . . . . .
C7A C 0.2846(6) 0.75848(18) 0.8807(3) 0.0609(11) Uani 1 1 d . . . . .
H7A H 0.325317 0.762841 0.835183 0.073 Uiso 1 1 calc R . . . .
C8A C 0.2254(7) 0.8013(2) 0.9139(3) 0.0743(14) Uani 1 1 d . . . . .
H8A H 0.226855 0.834320 0.891024 0.089 Uiso 1 1 calc R . . . .
C9A C 0.1648(6) 0.7944(2) 0.9806(3) 0.0761(16) Uani 1 1 d . . . . .
H9A H 0.121889 0.822764 1.001844 0.091 Uiso 1 1 calc R . . . .
C10A C 0.1668(5) 0.7459(2) 1.0167(3) 0.0678(13) Uani 1 1 d . . . . .
H10A H 0.129347 0.741960 1.063317 0.081 Uiso 1 1 calc R . . . .
C11A C 0.2243(5) 0.70357(19) 0.9833(2) 0.0532(10) Uani 1 1 d . . . . .
H11A H 0.223556 0.670716 1.006904 0.064 Uiso 1 1 calc R . . . .
C12A C 0.5471(4) 0.65447(16) 0.8894(2) 0.0439(8) Uani 1 1 d . . . . .
C13A C 0.6258(5) 0.6915(2) 0.9385(3) 0.0577(10) Uani 1 1 d . . . . .
H13A H 0.576909 0.717383 0.961838 0.069 Uiso 1 1 calc R . . . .
C14A C 0.7800(6) 0.6898(3) 0.9531(3) 0.0759(15) Uani 1 1 d . . . . .
H14A H 0.833946 0.714681 0.986318 0.091 Uiso 1 1 calc R . . . .
C15A C 0.8515(6) 0.6519(3) 0.9190(4) 0.091(2) Uani 1 1 d . . . . .
H15A H 0.954093 0.651778 0.927683 0.109 Uiso 1 1 calc R . . . .
C16A C 0.7729(6) 0.6134(3) 0.8712(5) 0.099(2) Uani 1 1 d . . . . .
H16A H 0.822132 0.586527 0.850357 0.119 Uiso 1 1 calc R . . . .
C17A C 0.6200(6) 0.6158(3) 0.8552(3) 0.0772(16) Uani 1 1 d . . . . .
H17A H 0.566213 0.591226 0.821338 0.093 Uiso 1 1 calc R . . . .
C18A C 0.2902(4) 0.59574(14) 0.9098(2) 0.0430(8) Uani 1 1 d . . . . .
C19A C 0.3711(6) 0.5758(2) 0.9808(3) 0.0659(12) Uani 1 1 d . . . . .
H19A H 0.457775 0.592025 1.005770 0.079 Uiso 1 1 calc R . . . .
C20A C 0.3197(8) 0.5310(2) 1.0136(4) 0.0870(18) Uani 1 1 d . . . . .
H20A H 0.371193 0.517838 1.061645 0.104 Uiso 1 1 calc R . . . .
C21A C 0.1931(8) 0.5061(2) 0.9756(4) 0.0864(19) Uani 1 1 d . . . . .
H21A H 0.161423 0.475579 0.997112 0.104 Uiso 1 1 calc R . . . .
C22A C 0.1148(7) 0.5261(2) 0.9065(4) 0.0746(15) Uani 1 1 d . . . . .
H22A H 0.028383 0.509682 0.881562 0.090 Uiso 1 1 calc R . . . .
C23A C 0.1627(5) 0.57050(17) 0.8735(3) 0.0516(9) Uani 1 1 d . . . . .
H23A H 0.108612 0.583713 0.826128 0.062 Uiso 1 1 calc R . . . .
C24A C 0.2634(4) 0.53477(14) 0.6242(2) 0.0396(7) Uani 1 1 d . . . . .
C25A C 0.3168(4) 0.51408(18) 0.6999(2) 0.0512(9) Uani 1 1 d . . . . .
H25A H 0.298534 0.531585 0.744875 0.061 Uiso 1 1 calc R . . . .
C26A C 0.3966(5) 0.46778(19) 0.7087(3) 0.0616(11) Uani 1 1 d . . . . .
H26A H 0.428195 0.453495 0.759188 0.074 Uiso 1 1 calc R . . . .
C27A C 0.4289(6) 0.44301(18) 0.6426(4) 0.0688(13) Uani 1 1 d . . . . .
H27A H 0.484826 0.412409 0.648589 0.083 Uiso 1 1 calc R . . . .
C28A C 0.3789(6) 0.4633(2) 0.5670(3) 0.0704(13) Uani 1 1 d . . . . .
H28A H 0.400300 0.446203 0.522331 0.084 Uiso 1 1 calc R . . . .
C29A C 0.2969(5) 0.50908(18) 0.5584(3) 0.0567(10) Uani 1 1 d . . . . .
H29A H 0.263751 0.522780 0.507650 0.068 Uiso 1 1 calc R . . . .
C30A C -0.0228(4) 0.57894(15) 0.63252(19) 0.0390(7) Uani 1 1 d . . . . .
C31A C -0.1254(5) 0.61884(18) 0.6284(3) 0.0585(11) Uani 1 1 d . . . . .
H31A H -0.100236 0.652616 0.615277 0.070 Uiso 1 1 calc R . . . .
C32A C -0.2661(6) 0.6090(2) 0.6435(3) 0.0704(13) Uani 1 1 d . . . . .
H32A H -0.334713 0.636050 0.640313 0.084 Uiso 1 1 calc R . . . .
C33A C -0.3031(5) 0.5587(2) 0.6634(3) 0.0669(13) Uani 1 1 d . . . . .
H33A H -0.396903 0.551919 0.673606 0.080 Uiso 1 1 calc R . . . .
C34A C -0.2021(6) 0.5193(2) 0.6681(3) 0.0698(13) Uani 1 1 d . . . . .
H34A H -0.227303 0.485592 0.681676 0.084 Uiso 1 1 calc R . . . .
C35A C -0.0617(5) 0.52897(17) 0.6526(3) 0.0568(10) Uani 1 1 d . . . . .
H35A H 0.006269 0.501754 0.655707 0.068 Uiso 1 1 calc R . . . .
C36A C 0.1413(4) 0.61651(15) 0.5150(2) 0.0421(8) Uani 1 1 d . . . . .
C37A C 0.2451(6) 0.6505(2) 0.4944(2) 0.0638(12) Uani 1 1 d . . . . .
H37A H 0.321179 0.662978 0.533643 0.077 Uiso 1 1 calc R . . . .
C38A C 0.2366(8) 0.6663(2) 0.4158(3) 0.0809(17) Uani 1 1 d . . . . .
H38A H 0.307051 0.688948 0.402476 0.097 Uiso 1 1 calc R . . . .
C39A C 0.1244(7) 0.6483(2) 0.3582(3) 0.0719(15) Uani 1 1 d . . . . .
H39A H 0.118962 0.658789 0.305466 0.086 Uiso 1 1 calc R . . . .
C40A C 0.0198(6) 0.6149(2) 0.3774(3) 0.0699(14) Uani 1 1 d . . . . .
H40A H -0.056885 0.603048 0.337954 0.084 Uiso 1 1 calc R . . . .
C41A C 0.0286(6) 0.59889(18) 0.4556(2) 0.0570(10) Uani 1 1 d . . . . .
H41A H -0.042037 0.576023 0.468347 0.068 Uiso 1 1 calc R . . . .
O1B O 0.6901(5) 0.4141(2) 0.7998(4) 0.1079(16) Uani 1 1 d . . . . .
O3B O 0.8311(4) 0.35296(13) 0.8470(2) 0.0673(9) Uani 1 1 d . . . . .
N1B N 0.8135(5) 0.39942(17) 0.8258(3) 0.0649(10) Uani 1 1 d . . . . .
O2B O 0.9202(5) 0.42771(17) 0.8265(4) 0.1092(17) Uani 1 1 d . . . . .
H4A H 0.441(6) 0.841(2) 0.653(4) 0.057(19) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1A S1A 2.6478(10) . ?
Ag1A P1A 2.4511(8) . ?
Ag1A P2A 2.4301(9) . ?
Ag1A N1A 2.468(4) . ?
S1A C4A 1.693(4) . ?
P1A C6A 1.818(4) . ?
P1A C12A 1.828(4) . ?
P1A C18A 1.823(4) . ?
P2A C24A 1.819(4) . ?
P2A C30A 1.827(4) . ?
P2A C36A 1.817(3) . ?
N1A C1A 1.304(6) . ?
N1A C5A 1.368(6) . ?
N2A H2A 0.8600 . ?
N2A C1A 1.342(7) . ?
N2A C2A 1.366(7) . ?
N3A C2A 1.350(7) . ?
N3A C3A 1.292(8) . ?
N4A C3A 1.364(7) . ?
N4A C4A 1.365(6) . ?
N4A H4A 0.67(5) . ?
C1A H1A 0.9300 . ?
C2A C5A 1.382(6) . ?
C3A H3A 0.9300 . ?
C4A C5A 1.398(6) . ?
C6A C7A 1.389(6) . ?
C6A C11A 1.381(5) . ?
C7A H7A 0.9300 . ?
C7A C8A 1.387(7) . ?
C8A H8A 0.9300 . ?
C8A C9A 1.371(8) . ?
C9A H9A 0.9300 . ?
C9A C10A 1.379(8) . ?
C10A H10A 0.9300 . ?
C10A C11A 1.374(7) . ?
C11A H11A 0.9300 . ?
C12A C13A 1.376(6) . ?
C12A C17A 1.382(7) . ?
C13A H13A 0.9300 . ?
C13A C14A 1.397(7) . ?
C14A H14A 0.9300 . ?
C14A C15A 1.361(9) . ?
C15A H15A 0.9300 . ?
C15A C16A 1.388(9) . ?
C16A H16A 0.9300 . ?
C16A C17A 1.386(8) . ?
C17A H17A 0.9300 . ?
C18A C19A 1.393(6) . ?
C18A C23A 1.381(6) . ?
C19A H19A 0.9300 . ?
C19A C20A 1.392(7) . ?
C20A H20A 0.9300 . ?
C20A C21A 1.379(10) . ?
C21A H21A 0.9300 . ?
C21A C22A 1.360(9) . ?
C22A H22A 0.9300 . ?
C22A C23A 1.373(7) . ?
C23A H23A 0.9300 . ?
C24A C25A 1.396(5) . ?
C24A C29A 1.384(6) . ?
C25A H25A 0.9300 . ?
C25A C26A 1.384(6) . ?
C26A H26A 0.9300 . ?
C26A C27A 1.374(8) . ?
C27A H27A 0.9300 . ?
C27A C28A 1.385(8) . ?
C28A H28A 0.9300 . ?
C28A C29A 1.384(7) . ?
C29A H29A 0.9300 . ?
C30A C31A 1.382(6) . ?
C30A C35A 1.384(5) . ?
C31A H31A 0.9300 . ?
C31A C32A 1.392(7) . ?
C32A H32A 0.9300 . ?
C32A C33A 1.385(8) . ?
C33A H33A 0.9300 . ?
C33A C34A 1.363(8) . ?
C34A H34A 0.9300 . ?
C34A C35A 1.391(7) . ?
C35A H35A 0.9300 . ?
C36A C37A 1.385(6) . ?
C36A C41A 1.383(6) . ?
C37A H37A 0.9300 . ?
C37A C38A 1.387(6) . ?
C38A H38A 0.9300 . ?
C38A C39A 1.365(8) . ?
C39A H39A 0.9300 . ?
C39A C40A 1.373(8) . ?
C40A H40A 0.9300 . ?
C40A C41A 1.382(6) . ?
C41A H41A 0.9300 . ?
O1B N1B 1.200(6) . ?
O3B N1B 1.240(5) . ?
N1B O2B 1.218(6) . ?

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
P1A Ag1A S1A 101.23(3) . . ?
P1A Ag1A N1A 108.14(10) . . ?
P2A Ag1A S1A 120.37(3) . . ?
P2A Ag1A P1A 130.17(3) . . ?
P2A Ag1A N1A 105.28(9) . . ?
N1A Ag1A S1A 79.87(9) . . ?
C4A S1A Ag1A 96.06(15) . . ?
C6A P1A Ag1A 112.33(12) . . ?
C6A P1A C12A 105.77(17) . . ?
C6A P1A C18A 105.29(17) . . ?
C12A P1A Ag1A 110.91(12) . . ?
C18A P1A Ag1A 117.49(12) . . ?
C18A P1A C12A 104.09(18) . . ?
C24A P2A Ag1A 115.49(12) . . ?
C24A P2A C30A 105.24(17) . . ?
C30A P2A Ag1A 109.49(11) . . ?
C36A P2A Ag1A 115.79(13) . . ?
C36A P2A C24A 104.76(17) . . ?
C36A P2A C30A 105.07(17) . . ?
C1A N1A Ag1A 147.6(4) . . ?
C1A N1A C5A 103.9(4) . . ?
C5A N1A Ag1A 108.1(3) . . ?
C1A N2A H2A 126.9 . . ?
C1A N2A C2A 106.1(4) . . ?
C2A N2A H2A 126.9 . . ?
C3A N3A C2A 111.5(4) . . ?
C3A N4A C4A 123.5(5) . . ?
C3A N4A H4A 111(5) . . ?
C4A N4A H4A 125(5) . . ?
N1A C1A N2A 114.1(5) . . ?
N1A C1A H1A 122.9 . . ?
N2A C1A H1A 122.9 . . ?
N2A C2A C5A 105.4(4) . . ?
N3A C2A N2A 127.8(4) . . ?
N3A C2A C5A 126.8(5) . . ?
N3A C3A N4A 126.3(5) . . ?
N3A C3A H3A 116.9 . . ?
N4A C3A H3A 116.9 . . ?
N4A C4A S1A 121.7(4) . . ?
N4A C4A C5A 112.3(4) . . ?
C5A C4A S1A 125.9(3) . . ?
N1A C5A C2A 110.4(4) . . ?
N1A C5A C4A 130.0(4) . . ?
C2A C5A C4A 119.6(4) . . ?
C7A C6A P1A 117.1(3) . . ?
C11A C6A P1A 123.6(3) . . ?
C11A C6A C7A 119.1(4) . . ?
C6A C7A H7A 119.9 . . ?
C8A C7A C6A 120.2(5) . . ?
C8A C7A H7A 119.9 . . ?
C7A C8A H8A 120.3 . . ?
C9A C8A C7A 119.5(5) . . ?
C9A C8A H8A 120.3 . . ?
C8A C9A H9A 119.6 . . ?
C8A C9A C10A 120.8(5) . . ?
C10A C9A H9A 119.6 . . ?
C9A C10A H10A 120.2 . . ?
C11A C10A C9A 119.5(4) . . ?
C11A C10A H10A 120.2 . . ?
C6A C11A H11A 119.6 . . ?
C10A C11A C6A 120.8(5) . . ?
C10A C11A H11A 119.6 . . ?
C13A C12A P1A 123.5(3) . . ?
C13A C12A C17A 120.2(4) . . ?
C17A C12A P1A 116.2(3) . . ?
C12A C13A H13A 120.3 . . ?
C12A C13A C14A 119.4(5) . . ?
C14A C13A H13A 120.3 . . ?
C13A C14A H14A 119.9 . . ?
C15A C14A C13A 120.3(5) . . ?
C15A C14A H14A 119.9 . . ?
C14A C15A H15A 119.6 . . ?
C14A C15A C16A 120.7(5) . . ?
C16A C15A H15A 119.6 . . ?
C15A C16A H16A 120.5 . . ?
C17A C16A C15A 119.0(6) . . ?
C17A C16A H16A 120.5 . . ?
C12A C17A C16A 120.3(5) . . ?
C12A C17A H17A 119.8 . . ?
C16A C17A H17A 119.8 . . ?
C19A C18A P1A 122.7(3) . . ?
C23A C18A P1A 117.9(3) . . ?
C23A C18A C19A 119.4(4) . . ?
C18A C19A H19A 120.6 . . ?
C20A C19A C18A 118.8(5) . . ?
C20A C19A H19A 120.6 . . ?
C19A C20A H20A 119.6 . . ?
C21A C20A C19A 120.7(5) . . ?
C21A C20A H20A 119.6 . . ?
C20A C21A H21A 120.1 . . ?
C22A C21A C20A 119.9(5) . . ?
C22A C21A H21A 120.1 . . ?
C21A C22A H22A 119.8 . . ?
C21A C22A C23A 120.4(5) . . ?
C23A C22A H22A 119.8 . . ?
C18A C23A H23A 119.6 . . ?
C22A C23A C18A 120.8(5) . . ?
C22A C23A H23A 119.6 . . ?
C25A C24A P2A 117.5(3) . . ?
C29A C24A P2A 123.8(3) . . ?
C29A C24A C25A 118.6(4) . . ?
C24A C25A H25A 119.7 . . ?
C26A C25A C24A 120.7(4) . . ?
C26A C25A H25A 119.7 . . ?
C25A C26A H26A 120.1 . . ?
C27A C26A C25A 119.7(4) . . ?
C27A C26A H26A 120.1 . . ?
C26A C27A H27A 119.7 . . ?
C26A C27A C28A 120.5(4) . . ?
C28A C27A H27A 119.7 . . ?
C27A C28A H28A 120.2 . . ?
C29A C28A C27A 119.5(5) . . ?
C29A C28A H28A 120.2 . . ?
C24A C29A C28A 120.9(4) . . ?
C24A C29A H29A 119.5 . . ?
C28A C29A H29A 119.5 . . ?
C31A C30A P2A 117.6(3) . . ?
C31A C30A C35A 118.9(4) . . ?
C35A C30A P2A 123.3(3) . . ?
C30A C31A H31A 119.6 . . ?
C30A C31A C32A 120.7(5) . . ?
C32A C31A H31A 119.6 . . ?
C31A C32A H32A 120.2 . . ?
C33A C32A C31A 119.5(5) . . ?
C33A C32A H32A 120.2 . . ?
C32A C33A H33A 120.0 . . ?
C34A C33A C32A 120.0(4) . . ?
C34A C33A H33A 120.0 . . ?
C33A C34A H34A 119.8 . . ?
C33A C34A C35A 120.5(5) . . ?
C35A C34A H34A 119.8 . . ?
C30A C35A C34A 120.3(5) . . ?
C30A C35A H35A 119.8 . . ?
C34A C35A H35A 119.8 . . ?
C37A C36A P2A 118.0(3) . . ?
C41A C36A P2A 123.5(3) . . ?
C41A C36A C37A 118.5(4) . . ?
C36A C37A H37A 119.7 . . ?
C36A C37A C38A 120.6(5) . . ?
C38A C37A H37A 119.7 . . ?
C37A C38A H38A 120.1 . . ?
C39A C38A C37A 119.8(5) . . ?
C39A C38A H38A 120.1 . . ?
C38A C39A H39A 119.8 . . ?
C38A C39A C40A 120.4(4) . . ?
C40A C39A H39A 119.8 . . ?
C39A C40A H40A 120.1 . . ?
C39A C40A C41A 119.8(5) . . ?
C41A C40A H40A 120.1 . . ?
C36A C41A H41A 119.6 . . ?
C40A C41A C36A 120.7(5) . . ?
C40A C41A H41A 119.6 . . ?
O1B N1B O3B 117.9(5) . . ?
O1B N1B O2B 121.8(5) . . ?
O2B N1B O3B 120.1(5) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
N2A H2A O1B 0.86 2.34 3.064(7) 141.8 2_556 yes
N2A H2A O3B 0.86 2.02 2.850(5) 161.4 2_556 yes
N2A H2A N1B 0.86 2.55 3.396(6) 169.9 2_556 yes
C3A H3A O2B 0.93 2.49 3.069(8) 120.9 2_656 yes
C10A H10A O3B 0.93 2.85 3.428(7) 121.4 3_667 yes
C11A H11A O3B 0.93 2.70 3.358(5) 128.2 3_667 yes
C22A H22A O2B 0.93 2.43 3.235(7) 145.1 1_455 yes
C26A H26A O1B 0.93 2.59 3.168(7) 121.0 . yes
N4A H4A O3B 0.67(5) 2.12(5) 2.788(6) 170(7) 2_656 yes
N4A H4A N1B 0.67(5) 2.67(5) 3.325(7) 163(6) 2_656 yes
N4A H4A O2B 0.67(5) 2.54(6) 3.066(7) 136(6) 2_656 yes

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
Ag1A S1A C4A N4A 176.9(3) . . . . ?
Ag1A S1A C4A C5A -2.0(3) . . . . ?
Ag1A P1A C6A C7A -38.2(4) . . . . ?
Ag1A P1A C6A C11A 136.2(3) . . . . ?
Ag1A P1A C12A C13A 119.8(3) . . . . ?
Ag1A P1A C12A C17A -57.7(4) . . . . ?
Ag1A P1A C18A C19A 153.2(3) . . . . ?
Ag1A P1A C18A C23A -26.7(4) . . . . ?
Ag1A P2A C24A C25A 41.4(3) . . . . ?
Ag1A P2A C24A C29A -134.7(3) . . . . ?
Ag1A P2A C30A C31A 57.4(3) . . . . ?
Ag1A P2A C30A C35A -117.6(3) . . . . ?
Ag1A P2A C36A C37A 34.0(4) . . . . ?
Ag1A P2A C36A C41A -147.2(3) . . . . ?
Ag1A N1A C1A N2A 171.8(4) . . . . ?
Ag1A N1A C5A C2A -175.5(3) . . . . ?
Ag1A N1A C5A C4A 1.1(5) . . . . ?
S1A C4A C5A N1A 0.8(6) . . . . ?
S1A C4A C5A C2A 177.2(3) . . . . ?
P1A C6A C7A C8A 173.8(4) . . . . ?
P1A C6A C11A C10A -174.0(3) . . . . ?
P1A C12A C13A C14A -176.9(4) . . . . ?
P1A C12A C17A C16A 178.6(6) . . . . ?
P1A C18A C19A C20A 179.4(4) . . . . ?
P1A C18A C23A C22A 180.0(4) . . . . ?
P2A C24A C25A C26A -178.8(3) . . . . ?
P2A C24A C29A C28A 177.4(4) . . . . ?
P2A C30A C31A C32A -175.7(4) . . . . ?
P2A C30A C35A C34A 175.1(4) . . . . ?
P2A C36A C37A C38A 178.4(5) . . . . ?
P2A C36A C41A C40A -178.8(4) . . . . ?
N2A C2A C5A N1A 0.2(5) . . . . ?
N2A C2A C5A C4A -176.8(4) . . . . ?
N3A C2A C5A N1A -179.9(4) . . . . ?
N3A C2A C5A C4A 3.0(7) . . . . ?
N4A C4A C5A N1A -178.1(4) . . . . ?
N4A C4A C5A C2A -1.7(5) . . . . ?
C1A N1A C5A C2A -0.3(5) . . . . ?
C1A N1A C5A C4A 176.4(4) . . . . ?
C1A N2A C2A N3A -179.9(5) . . . . ?
C1A N2A C2A C5A 0.0(5) . . . . ?
C2A N2A C1A N1A -0.2(7) . . . . ?
C2A N3A C3A N4A -0.3(8) . . . . ?
C3A N3A C2A N2A 178.0(5) . . . . ?
C3A N3A C2A C5A -1.9(7) . . . . ?
C3A N4A C4A S1A -179.2(4) . . . . ?
C3A N4A C4A C5A -0.2(6) . . . . ?
C4A N4A C3A N3A 1.3(8) . . . . ?
C5A N1A C1A N2A 0.3(6) . . . . ?
C6A P1A C12A C13A -2.2(4) . . . . ?
C6A P1A C12A C17A -179.7(4) . . . . ?
C6A P1A C18A C19A -80.9(4) . . . . ?
C6A P1A C18A C23A 99.2(3) . . . . ?
C6A C7A C8A C9A -0.4(8) . . . . ?
C7A C6A C11A C10A 0.3(7) . . . . ?
C7A C8A C9A C10A 2.3(9) . . . . ?
C8A C9A C10A C11A -2.9(8) . . . . ?
C9A C10A C11A C6A 1.5(7) . . . . ?
C11A C6A C7A C8A -0.9(7) . . . . ?
C12A P1A C6A C7A 82.9(4) . . . . ?
C12A P1A C6A C11A -102.7(4) . . . . ?
C12A P1A C18A C19A 30.1(4) . . . . ?
C12A P1A C18A C23A -149.7(3) . . . . ?
C12A C13A C14A C15A 0.0(9) . . . . ?
C13A C12A C17A C16A 1.1(9) . . . . ?
C13A C14A C15A C16A -2.0(11) . . . . ?
C14A C15A C16A C17A 3.5(12) . . . . ?
C15A C16A C17A C12A -3.0(12) . . . . ?
C17A C12A C13A C14A 0.4(7) . . . . ?
C18A P1A C6A C7A -167.2(3) . . . . ?
C18A P1A C6A C11A 7.2(4) . . . . ?
C18A P1A C12A C13A -112.9(4) . . . . ?
C18A P1A C12A C17A 69.6(4) . . . . ?
C18A C19A C20A C21A 1.7(9) . . . . ?
C19A C18A C23A C22A 0.1(7) . . . . ?
C19A C20A C21A C22A -2.0(10) . . . . ?
C20A C21A C22A C23A 1.4(9) . . . . ?
C21A C22A C23A C18A -0.4(8) . . . . ?
C23A C18A C19A C20A -0.7(7) . . . . ?
C24A P2A C30A C31A -177.9(3) . . . . ?
C24A P2A C30A C35A 7.1(4) . . . . ?
C24A P2A C36A C37A -94.4(4) . . . . ?
C24A P2A C36A C41A 84.4(4) . . . . ?
C24A C25A C26A C27A 2.7(7) . . . . ?
C25A C24A C29A C28A 1.3(7) . . . . ?
C25A C26A C27A C28A -1.7(8) . . . . ?
C26A C27A C28A C29A 0.6(8) . . . . ?
C27A C28A C29A C24A -0.4(8) . . . . ?
C29A C24A C25A C26A -2.5(6) . . . . ?
C30A P2A C24A C25A -79.5(3) . . . . ?
C30A P2A C24A C29A 104.4(4) . . . . ?
C30A P2A C36A C37A 154.9(4) . . . . ?
C30A P2A C36A C41A -26.2(4) . . . . ?
C30A C31A C32A C33A 0.3(8) . . . . ?
C31A C30A C35A C34A 0.1(7) . . . . ?
C31A C32A C33A C34A 0.0(8) . . . . ?
C32A C33A C34A C35A -0.3(8) . . . . ?
C33A C34A C35A C30A 0.2(8) . . . . ?
C35A C30A C31A C32A -0.4(7) . . . . ?
C36A P2A C24A C25A 170.0(3) . . . . ?
C36A P2A C24A C29A -6.1(4) . . . . ?
C36A P2A C30A C31A -67.6(3) . . . . ?
C36A P2A C30A C35A 117.4(3) . . . . ?
C36A C37A C38A C39A 0.4(10) . . . . ?
C37A C36A C41A C40A 0.0(7) . . . . ?
C37A C38A C39A C40A 0.2(10) . . . . ?
C38A C39A C40A C41A -0.6(9) . . . . ?
C39A C40A C41A C36A 0.5(8) . . . . ?
C41A C36A C37A C38A -0.5(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
####################################################################### 
# 
# 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_7
_database_code_depnum_ccdc_archive 'CCDC 1878469'
loop_
_audit_author_name
_audit_author_address
'Tarlok Singh Lobana'
;Guru Nanak Dev University Amritsar 143005
India
;
_audit_update_record             
;
2018-11-11 deposited with the CCDC.	2019-04-16 downloaded from the CCDC.
;
_audit_creation_date             2017-09-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C40 H34 Ag N2 O P2 S, N O3, H2 O'
_chemical_formula_sum            'C40 H36 Ag N3 O5 P2 S'
_chemical_formula_weight         840.59
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C12 H12 O2 N2 S2 Cu'
_chemical_oxdiff_usercomment     "Lobana's JPL-248"
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.5062(7)
_cell_length_b                   13.1744(7)
_cell_length_c                   15.1280(7)
_cell_angle_alpha                99.534(4)
_cell_angle_beta                 103.826(5)
_cell_angle_gamma                114.897(5)
_cell_volume                     2092.7(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6377
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      71.3220
_cell_measurement_theta_min      4.1170
_shelx_estimated_absorpt_T_max   0.518
_shelx_estimated_absorpt_T_min   0.261
_exptl_absorpt_coefficient_mu    5.408
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.26233
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             860
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0586
_diffrn_reflns_av_unetI/netI     0.0610
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15670
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.221
_diffrn_reflns_theta_min         3.881
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0416
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     44.00  70.00   1.00    1.00    --   35.17 -99.00   0.00   26
  2  ω     46.00  73.00   1.00    1.00    --   35.17 -99.00  90.00   27
  3  ω     16.00  42.00   1.00    1.00    --   35.17 -99.00   0.00   26
  4  ω     43.00  73.00   1.00    1.00    --   35.17 -99.00-120.00   30
  5  ω     42.00 109.00   1.00    2.79    --  108.00 -94.00-120.00   67
  6  ω    104.00 135.00   1.00    2.79    --  108.00 -77.00 -90.00   31
  7  ω     56.00 109.00   1.00    2.79    --  108.00 -94.00  60.00   53
  8  ω     84.00 109.00   1.00    2.79    --  108.00 -94.00  90.00   25
  9  ω     81.00 108.00   1.00    2.79    --  108.00 -94.00 150.00   27
 10  ω     50.00 126.00   1.00    2.79    --  108.00 -30.00  90.00   76
 11  ω    125.00 174.00   1.00    2.79    --  108.00  45.00 150.00   49
 12  ω    123.00 162.00   1.00    2.79    --  108.00  61.00  60.00   39
 13  ω    121.00 163.00   1.00    2.79    --  108.00 111.00 120.00   42
 14  ω    107.00 133.00   1.00    2.79    --  108.00 111.00 150.00   26
 15  ω     94.00 120.00   1.00    2.79    --  108.00  45.00 150.00   26
 16  ω     76.00 178.00   1.00    2.79    --  108.00  15.00 120.00  102
 17  ω     90.00 168.00   1.00    2.79    --  108.00  61.00  30.00   78
 18  ω     80.00 107.00   1.00    1.00    --   35.17 178.00  30.00   27
 19  ω    -42.00  32.00   1.00    1.00    --  -33.50  19.00-180.00   74
 20  ω    -92.00 -58.00   1.00    1.00    --  -33.50 -57.00-180.00   34
 21  ω   -100.00 -12.00   1.00    1.00    --  -33.50 -77.00 -60.00   88
 22  ω    -99.00  -7.00   1.00    1.00    --  -33.50 -77.00  90.00   92
 23  ω   -103.00 -51.00   1.00    1.00    --  -33.50-178.00 -60.00   52
 24  ω   -105.00 -80.00   1.00    1.00    --  -33.50-178.00  30.00   25
 25  ω   -101.00  -7.00   1.00    1.00    --  -33.50 -19.00 150.00   94
 26  ω   -106.00 -76.00   1.00    1.00    --  -33.50 178.00  90.00   30
 27  ω     42.00 125.00   1.00    2.79    --  108.00 -45.00   0.00   83
 28  ω     47.00  73.00   1.00    2.79    --  108.00 -77.00 -90.00   26
 29  ω     44.00 110.00   1.00    2.79    --  108.00 -45.00-150.00   66
 30  ω     47.00  73.00   1.00    2.79    --  108.00 -94.00-150.00   26
 31  ω     38.00 114.00   1.00    2.79    --  108.00-111.00   0.00   76
 32  ω     43.00 116.00   1.00    2.79    --  108.00 -77.00 120.00   73
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku, Oxford diffraction'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0830598000
_diffrn_orient_matrix_UB_12      -0.0946797000
_diffrn_orient_matrix_UB_13      0.0372246000
_diffrn_orient_matrix_UB_21      0.1055560000
_diffrn_orient_matrix_UB_22      -0.0318189000
_diffrn_orient_matrix_UB_23      0.0309798000
_diffrn_orient_matrix_UB_31      0.0538066000
_diffrn_orient_matrix_UB_32      0.0911802000
_diffrn_orient_matrix_UB_33      0.0987919000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6920
_reflns_number_total             7954
_reflns_odcompleteness_completeness 99.80
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.745
_refine_diff_density_min         -0.972
_refine_diff_density_rms         0.075
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     472
_refine_ls_number_reflns         7954
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0519
_refine_ls_R_factor_gt           0.0449
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0672P)²+0.2793P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1161
_refine_ls_wR_factor_ref         0.1226
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All O(H,H) groups
2.a Free rotating group:
 O1W(H1WA,H1WB)
2.b Aromatic/amide H refined with riding coordinates:
 N1A(H1A), N2A(H2A), C3A(H3A), C4A(H4A), C6A(H6A), C7A(H7A), C8A(H8A),
 C9A(H9A), C10A(H10A), C12A(H12A), C13A(H13A), C14A(H14A), C15A(H15A),
 C16A(H16A), C18A(H18A), C19A(H19A), C20A(H20A), C21A(H21A), C22A(H22A),
 C24A(H24A), C25A(H25A), C26A(H26A), C27A(H27A), C28A(H28A), C30A(H30A),
 C31A(H31A), C32A(H32A), C33A(H33A), C34A(H34A), C36A(H36A), C37A(H37A),
 C38A(H38A), C39A(H39A), C40A(H40A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Ag1A Ag 0.39785(2) 0.42426(2) 0.72543(2) 0.04240(6) Uani 1 1 d . . . . .
S1A S 0.60422(8) 0.61590(8) 0.79924(7) 0.0588(2) Uani 1 1 d . . . . .
P1A P 0.40092(6) 0.23961(6) 0.67174(5) 0.03662(14) Uani 1 1 d . . . . .
P2A P 0.22265(6) 0.46162(6) 0.65502(5) 0.03916(15) Uani 1 1 d . . . . .
O1A O 0.7226(4) 1.0049(3) 0.9996(3) 0.0911(11) Uani 1 1 d . . . . .
O1B O 0.3793(3) 0.4129(3) 0.8957(2) 0.0765(9) Uani 1 1 d . . . . .
O1W O 0.8605(4) 0.9227(5) 0.8503(3) 0.1217(17) Uani 1 1 d . . . . .
H1WA H 0.9100 0.9040 0.8839 0.183 Uiso 1 1 d G . . . .
H1WB H 0.8927 0.9970 0.8662 0.183 Uiso 1 1 d G . . . .
O2B O 0.2275(3) 0.2916(3) 0.9302(2) 0.0851(10) Uani 1 1 d . . . . .
O3B O 0.2592(4) 0.4681(4) 0.9452(4) 0.1166(15) Uani 1 1 d . . . . .
N1A N 0.6572(3) 0.8197(2) 0.91071(19) 0.0512(7) Uani 1 1 d . . . . .
H1A H 0.7104 0.8476 0.8826 0.061 Uiso 1 1 calc R . . . .
N1B N 0.2865(4) 0.3899(3) 0.9237(2) 0.0694(9) Uani 1 1 d . . . . .
N2A N 0.5040(3) 0.6598(3) 0.92833(18) 0.0510(7) Uani 1 1 d . . . . .
H2A H 0.4581 0.5850 0.9137 0.061 Uiso 1 1 calc R . . . .
C1A C 0.5862(3) 0.7019(3) 0.8840(2) 0.0439(7) Uani 1 1 d . . . . .
C2A C 0.6522(4) 0.9002(3) 0.9799(3) 0.0610(9) Uani 1 1 d . . . . .
C3A C 0.5584(4) 0.8472(4) 1.0214(3) 0.0695(11) Uani 1 1 d . . . . .
H3A H 0.5453 0.8940 1.0661 0.083 Uiso 1 1 calc R . . . .
C4A C 0.4905(4) 0.7312(4) 0.9959(3) 0.0654(10) Uani 1 1 d . . . . .
H4A H 0.4322 0.6979 1.0249 0.078 Uiso 1 1 calc R . . . .
C5A C 0.5255(3) 0.2238(3) 0.7481(2) 0.0437(6) Uani 1 1 d . . . . .
C6A C 0.6373(3) 0.3225(4) 0.8040(3) 0.0654(10) Uani 1 1 d . . . . .
H6A H 0.6491 0.3967 0.8025 0.078 Uiso 1 1 calc R . . . .
C7A C 0.7323(5) 0.3101(5) 0.8625(4) 0.1003(19) Uani 1 1 d . . . . .
H7A H 0.8078 0.3767 0.8999 0.120 Uiso 1 1 calc R . . . .
C8A C 0.7171(5) 0.2028(5) 0.8662(4) 0.0951(14) Uani 1 1 d . . . . .
H8A H 0.7824 0.1965 0.9053 0.114 Uiso 1 1 calc R . . . .
C9A C 0.6063(4) 0.1041(4) 0.8126(3) 0.0761(10) Uani 1 1 d . . . . .
H9A H 0.5956 0.0307 0.8160 0.091 Uiso 1 1 calc R . . . .
C10A C 0.5093(4) 0.1134(3) 0.7531(3) 0.0603(8) Uani 1 1 d . . . . .
H10A H 0.4338 0.0462 0.7167 0.072 Uiso 1 1 calc R . . . .
C11A C 0.4086(3) 0.2054(2) 0.5517(2) 0.0423(6) Uani 1 1 d . . . . .
C12A C 0.4814(3) 0.1573(3) 0.5295(3) 0.0557(8) Uani 1 1 d . . . . .
H12A H 0.5282 0.1393 0.5759 0.067 Uiso 1 1 calc R . . . .
C13A C 0.4840(4) 0.1359(4) 0.4370(3) 0.0776(11) Uani 1 1 d . . . . .
H13A H 0.5340 0.1047 0.4221 0.093 Uiso 1 1 calc R . . . .
C14A C 0.4146(5) 0.1600(4) 0.3682(3) 0.0759(12) Uani 1 1 d . . . . .
H14A H 0.4164 0.1443 0.3065 0.091 Uiso 1 1 calc R . . . .
C15A C 0.3418(4) 0.2076(4) 0.3900(3) 0.0689(11) Uani 1 1 d . . . . .
H15A H 0.2939 0.2238 0.3430 0.083 Uiso 1 1 calc R . . . .
C16A C 0.3400(3) 0.2312(3) 0.4816(2) 0.0546(8) Uani 1 1 d . . . . .
H16A H 0.2919 0.2649 0.4964 0.066 Uiso 1 1 calc R . . . .
C17A C 0.2573(3) 0.1150(2) 0.6667(2) 0.0421(6) Uani 1 1 d . . . . .
C18A C 0.1739(4) 0.0232(3) 0.5850(3) 0.0570(9) Uani 1 1 d . . . . .
H18A H 0.1920 0.0198 0.5288 0.068 Uiso 1 1 calc R . . . .
C19A C 0.0627(4) -0.0643(3) 0.5866(4) 0.0752(13) Uani 1 1 d . . . . .
H19A H 0.0055 -0.1248 0.5310 0.090 Uiso 1 1 calc R . . . .
C20A C 0.0373(4) -0.0614(4) 0.6706(4) 0.0739(12) Uani 1 1 d . . . . .
H20A H -0.0365 -0.1202 0.6719 0.089 Uiso 1 1 calc R . . . .
C21A C 0.1224(4) 0.0296(4) 0.7528(3) 0.0670(10) Uani 1 1 d . . . . .
H21A H 0.1061 0.0316 0.8098 0.080 Uiso 1 1 calc R . . . .
C22A C 0.2305(3) 0.1169(3) 0.7505(3) 0.0541(8) Uani 1 1 d . . . . .
H22A H 0.2865 0.1783 0.8059 0.065 Uiso 1 1 calc R . . . .
C23A C 0.0666(3) 0.3600(3) 0.6509(2) 0.0412(6) Uani 1 1 d . . . . .
C24A C 0.0479(3) 0.2579(3) 0.6728(3) 0.0581(8) Uani 1 1 d . . . . .
H24A H 0.1148 0.2427 0.6899 0.070 Uiso 1 1 calc R . . . .
C25A C -0.0702(4) 0.1772(4) 0.6696(4) 0.0801(12) Uani 1 1 d . . . . .
H25A H -0.0824 0.1075 0.6829 0.096 Uiso 1 1 calc R . . . .
C26A C -0.1689(4) 0.2010(4) 0.6466(4) 0.0749(11) Uani 1 1 d . . . . .
H26A H -0.2474 0.1486 0.6462 0.090 Uiso 1 1 calc R . . . .
C27A C -0.1508(4) 0.3021(4) 0.6243(4) 0.0768(12) Uani 1 1 d . . . . .
H27A H -0.2177 0.3174 0.6076 0.092 Uiso 1 1 calc R . . . .
C28A C -0.0343(3) 0.3815(3) 0.6265(3) 0.0620(9) Uani 1 1 d . . . . .
H28A H -0.0233 0.4501 0.6115 0.074 Uiso 1 1 calc R . . . .
C29A C 0.2132(3) 0.4490(2) 0.5311(2) 0.0402(6) Uani 1 1 d . . . . .
C30A C 0.1026(3) 0.3822(3) 0.4534(2) 0.0470(7) Uani 1 1 d . . . . .
H30A H 0.0271 0.3427 0.4634 0.056 Uiso 1 1 calc R . . . .
C31A C 0.1034(4) 0.3735(3) 0.3607(3) 0.0591(9) Uani 1 1 d . . . . .
H31A H 0.0286 0.3287 0.3092 0.071 Uiso 1 1 calc R . . . .
C32A C 0.2138(4) 0.4307(4) 0.3451(3) 0.0644(9) Uani 1 1 d . . . . .
H32A H 0.2140 0.4247 0.2830 0.077 Uiso 1 1 calc R . . . .
C33A C 0.3254(4) 0.4976(4) 0.4217(3) 0.0670(10) Uani 1 1 d . . . . .
H33A H 0.4004 0.5366 0.4111 0.080 Uiso 1 1 calc R . . . .
C34A C 0.3252(3) 0.5063(3) 0.5136(3) 0.0543(8) Uani 1 1 d . . . . .
H34A H 0.4005 0.5508 0.5647 0.065 Uiso 1 1 calc R . . . .
C35A C 0.2356(3) 0.6061(3) 0.6993(2) 0.0448(7) Uani 1 1 d . . . . .
C36A C 0.2418(3) 0.6810(3) 0.6448(3) 0.0571(9) Uani 1 1 d . . . . .
H36A H 0.2400 0.6593 0.5825 0.069 Uiso 1 1 calc R . . . .
C37A C 0.2509(4) 0.7894(3) 0.6828(4) 0.0739(12) Uani 1 1 d . . . . .
H37A H 0.2531 0.8391 0.6453 0.089 Uiso 1 1 calc R . . . .
C38A C 0.2564(4) 0.8230(3) 0.7748(4) 0.0776(14) Uani 1 1 d . . . . .
H38A H 0.2651 0.8964 0.8005 0.093 Uiso 1 1 calc R . . . .
C39A C 0.2492(4) 0.7481(4) 0.8295(3) 0.0820(13) Uani 1 1 d . . . . .
H39A H 0.2512 0.7707 0.8918 0.098 Uiso 1 1 calc R . . . .
C40A C 0.2389(4) 0.6393(4) 0.7926(3) 0.0674(10) Uani 1 1 d . . . . .
H40A H 0.2342 0.5891 0.8299 0.081 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1A S1A 2.5464(9) . ?
Ag1A P1A 2.4531(7) . ?
Ag1A P2A 2.4787(8) . ?
S1A C1A 1.688(3) . ?
P1A C5A 1.816(3) . ?
P1A C11A 1.833(3) . ?
P1A C17A 1.826(3) . ?
P2A C23A 1.822(3) . ?
P2A C29A 1.825(3) . ?
P2A C35A 1.834(3) . ?
O1A C2A 1.218(5) . ?
O1B N1B 1.264(5) . ?
O1W H1WA 0.8498 . ?
O1W H1WB 0.8507 . ?
O2B N1B 1.227(5) . ?
O3B N1B 1.235(6) . ?
N1A H1A 0.8600 . ?
N1A C1A 1.350(4) . ?
N1A C2A 1.395(5) . ?
N2A H2A 0.8600 . ?
N2A C1A 1.337(4) . ?
N2A C4A 1.363(5) . ?
C2A C3A 1.437(6) . ?
C3A H3A 0.9300 . ?
C3A C4A 1.326(6) . ?
C4A H4A 0.9300 . ?
C5A C6A 1.379(5) . ?
C5A C10A 1.400(5) . ?
C6A H6A 0.9300 . ?
C6A C7A 1.389(6) . ?
C7A H7A 0.9300 . ?
C7A C8A 1.358(8) . ?
C8A H8A 0.9300 . ?
C8A C9A 1.366(7) . ?
C9A H9A 0.9300 . ?
C9A C10A 1.391(5) . ?
C10A H10A 0.9300 . ?
C11A C12A 1.380(5) . ?
C11A C16A 1.381(5) . ?
C12A H12A 0.9300 . ?
C12A C13A 1.392(6) . ?
C13A H13A 0.9300 . ?
C13A C14A 1.360(7) . ?
C14A H14A 0.9300 . ?
C14A C15A 1.373(7) . ?
C15A H15A 0.9300 . ?
C15A C16A 1.378(5) . ?
C16A H16A 0.9300 . ?
C17A C18A 1.380(4) . ?
C17A C22A 1.386(5) . ?
C18A H18A 0.9300 . ?
C18A C19A 1.393(6) . ?
C19A H19A 0.9300 . ?
C19A C20A 1.380(7) . ?
C20A H20A 0.9300 . ?
C20A C21A 1.385(6) . ?
C21A H21A 0.9300 . ?
C21A C22A 1.371(5) . ?
C22A H22A 0.9300 . ?
C23A C24A 1.375(5) . ?
C23A C28A 1.387(5) . ?
C24A H24A 0.9300 . ?
C24A C25A 1.393(6) . ?
C25A H25A 0.9300 . ?
C25A C26A 1.379(7) . ?
C26A H26A 0.9300 . ?
C26A C27A 1.366(7) . ?
C27A H27A 0.9300 . ?
C27A C28A 1.379(6) . ?
C28A H28A 0.9300 . ?
C29A C30A 1.387(4) . ?
C29A C34A 1.398(5) . ?
C30A H30A 0.9300 . ?
C30A C31A 1.391(5) . ?
C31A H31A 0.9300 . ?
C31A C32A 1.367(6) . ?
C32A H32A 0.9300 . ?
C32A C33A 1.386(6) . ?
C33A H33A 0.9300 . ?
C33A C34A 1.376(6) . ?
C34A H34A 0.9300 . ?
C35A C36A 1.378(5) . ?
C35A C40A 1.392(5) . ?
C36A H36A 0.9300 . ?
C36A C37A 1.394(5) . ?
C37A H37A 0.9300 . ?
C37A C38A 1.364(8) . ?
C38A H38A 0.9300 . ?
C38A C39A 1.377(8) . ?
C39A H39A 0.9300 . ?
C39A C40A 1.389(6) . ?
C40A H40A 0.9300 . ?

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
P1A Ag1A S1A 119.40(3) . . ?
P1A Ag1A P2A 124.53(2) . . ?
P2A Ag1A S1A 110.51(3) . . ?
C1A S1A Ag1A 106.81(11) . . ?
C5A P1A Ag1A 116.06(10) . . ?
C5A P1A C11A 105.27(14) . . ?
C5A P1A C17A 103.75(14) . . ?
C11A P1A Ag1A 115.32(10) . . ?
C17A P1A Ag1A 110.59(10) . . ?
C17A P1A C11A 104.63(14) . . ?
C23A P2A Ag1A 117.59(11) . . ?
C23A P2A C29A 106.18(13) . . ?
C23A P2A C35A 103.30(14) . . ?
C29A P2A Ag1A 104.83(10) . . ?
C29A P2A C35A 103.56(15) . . ?
C35A P2A Ag1A 119.86(10) . . ?
H1WA O1W H1WB 109.5 . . ?
C1A N1A H1A 117.1 . . ?
C1A N1A C2A 125.9(3) . . ?
C2A N1A H1A 117.1 . . ?
O2B N1B O1B 119.5(4) . . ?
O2B N1B O3B 121.7(5) . . ?
O3B N1B O1B 118.8(4) . . ?
C1A N2A H2A 118.9 . . ?
C1A N2A C4A 122.2(3) . . ?
C4A N2A H2A 118.9 . . ?
N1A C1A S1A 120.2(3) . . ?
N2A C1A S1A 123.4(2) . . ?
N2A C1A N1A 116.4(3) . . ?
O1A C2A N1A 120.3(4) . . ?
O1A C2A C3A 126.0(4) . . ?
N1A C2A C3A 113.8(3) . . ?
C2A C3A H3A 120.0 . . ?
C4A C3A C2A 119.9(4) . . ?
C4A C3A H3A 120.0 . . ?
N2A C4A H4A 119.1 . . ?
C3A C4A N2A 121.7(4) . . ?
C3A C4A H4A 119.1 . . ?
C6A C5A P1A 119.5(3) . . ?
C6A C5A C10A 119.2(3) . . ?
C10A C5A P1A 121.3(2) . . ?
C5A C6A H6A 120.3 . . ?
C5A C6A C7A 119.4(4) . . ?
C7A C6A H6A 120.3 . . ?
C6A C7A H7A 119.3 . . ?
C8A C7A C6A 121.4(5) . . ?
C8A C7A H7A 119.3 . . ?
C7A C8A H8A 119.9 . . ?
C7A C8A C9A 120.1(4) . . ?
C9A C8A H8A 119.9 . . ?
C8A C9A H9A 120.0 . . ?
C8A C9A C10A 119.9(4) . . ?
C10A C9A H9A 120.0 . . ?
C5A C10A H10A 120.0 . . ?
C9A C10A C5A 120.0(4) . . ?
C9A C10A H10A 120.0 . . ?
C12A C11A P1A 122.7(3) . . ?
C12A C11A C16A 119.3(3) . . ?
C16A C11A P1A 118.0(3) . . ?
C11A C12A H12A 120.4 . . ?
C11A C12A C13A 119.2(4) . . ?
C13A C12A H12A 120.4 . . ?
C12A C13A H13A 119.5 . . ?
C14A C13A C12A 121.0(4) . . ?
C14A C13A H13A 119.5 . . ?
C13A C14A H14A 120.1 . . ?
C13A C14A C15A 119.9(4) . . ?
C15A C14A H14A 120.1 . . ?
C14A C15A H15A 120.1 . . ?
C14A C15A C16A 119.9(4) . . ?
C16A C15A H15A 120.1 . . ?
C11A C16A H16A 119.6 . . ?
C15A C16A C11A 120.7(4) . . ?
C15A C16A H16A 119.6 . . ?
C18A C17A P1A 124.2(3) . . ?
C18A C17A C22A 119.1(3) . . ?
C22A C17A P1A 116.6(2) . . ?
C17A C18A H18A 119.9 . . ?
C17A C18A C19A 120.1(4) . . ?
C19A C18A H18A 119.9 . . ?
C18A C19A H19A 120.0 . . ?
C20A C19A C18A 120.1(4) . . ?
C20A C19A H19A 120.0 . . ?
C19A C20A H20A 120.2 . . ?
C19A C20A C21A 119.6(4) . . ?
C21A C20A H20A 120.2 . . ?
C20A C21A H21A 119.9 . . ?
C22A C21A C20A 120.1(4) . . ?
C22A C21A H21A 119.9 . . ?
C17A C22A H22A 119.5 . . ?
C21A C22A C17A 120.9(3) . . ?
C21A C22A H22A 119.5 . . ?
C24A C23A P2A 118.9(2) . . ?
C24A C23A C28A 118.6(3) . . ?
C28A C23A P2A 122.5(3) . . ?
C23A C24A H24A 119.6 . . ?
C23A C24A C25A 120.8(4) . . ?
C25A C24A H24A 119.6 . . ?
C24A C25A H25A 120.1 . . ?
C26A C25A C24A 119.7(4) . . ?
C26A C25A H25A 120.1 . . ?
C25A C26A H26A 120.2 . . ?
C27A C26A C25A 119.6(4) . . ?
C27A C26A H26A 120.2 . . ?
C26A C27A H27A 119.6 . . ?
C26A C27A C28A 120.8(4) . . ?
C28A C27A H27A 119.6 . . ?
C23A C28A H28A 119.8 . . ?
C27A C28A C23A 120.5(4) . . ?
C27A C28A H28A 119.8 . . ?
C30A C29A P2A 123.9(2) . . ?
C30A C29A C34A 118.3(3) . . ?
C34A C29A P2A 117.7(2) . . ?
C29A C30A H30A 119.7 . . ?
C29A C30A C31A 120.7(3) . . ?
C31A C30A H30A 119.7 . . ?
C30A C31A H31A 119.9 . . ?
C32A C31A C30A 120.2(3) . . ?
C32A C31A H31A 119.9 . . ?
C31A C32A H32A 120.0 . . ?
C31A C32A C33A 120.0(4) . . ?
C33A C32A H32A 120.0 . . ?
C32A C33A H33A 120.0 . . ?
C34A C33A C32A 120.1(4) . . ?
C34A C33A H33A 120.0 . . ?
C29A C34A H34A 119.6 . . ?
C33A C34A C29A 120.8(3) . . ?
C33A C34A H34A 119.6 . . ?
C36A C35A P2A 123.1(3) . . ?
C36A C35A C40A 119.7(3) . . ?
C40A C35A P2A 117.2(3) . . ?
C35A C36A H36A 120.0 . . ?
C35A C36A C37A 120.1(4) . . ?
C37A C36A H36A 120.0 . . ?
C36A C37A H37A 119.9 . . ?
C38A C37A C36A 120.2(5) . . ?
C38A C37A H37A 119.9 . . ?
C37A C38A H38A 120.0 . . ?
C37A C38A C39A 120.0(4) . . ?
C39A C38A H38A 120.0 . . ?
C38A C39A H39A 119.7 . . ?
C38A C39A C40A 120.6(4) . . ?
C40A C39A H39A 119.7 . . ?
C35A C40A H40A 120.3 . . ?
C39A C40A C35A 119.3(4) . . ?
C39A C40A H40A 120.3 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1A H1A O1W 0.86 1.94 2.785(5) 165.8 .
N2A H2A O1B 0.86 1.99 2.843(4) 169.5 .
N2A H2A O3B 0.86 2.52 3.146(5) 129.9 .
N2A H2A N1B 0.86 2.62 3.424(5) 155.9 .
C22A H22A O2B 0.93 2.64 3.277(5) 126.2 .

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.500 1.000 225.8 49.9 ?

_olex2_exptl_crystal_mounting_method 'polymer loop'
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.900
_oxdiff_exptl_absorpt_empirical_full_min 0.654
####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 1878471'
loop_
_audit_author_name
_audit_author_address
'Tarlok Singh Lobana'
;Guru Nanak Dev University Amritsar 143005
India
;
_audit_update_record             
;
2018-11-11 deposited with the CCDC.	2019-04-16 downloaded from the CCDC.
;
_audit_creation_date             2015-07-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C43 H44 Ag N3 O3 P2 S'
_chemical_formula_sum            'C43 H44 Ag N3 O3 P2 S'
_chemical_formula_weight         852.68
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C64 H86 N8 S4 P2 Ag2'
_chemical_oxdiff_usercomment     "Lobana's TSL-421"
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'
Ag Ag -0.8971 1.1015 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.6628(4)
_cell_length_b                   16.2436(5)
_cell_length_c                   18.8410(6)
_cell_angle_alpha                90
_cell_angle_beta                 105.902(3)
_cell_angle_gamma                90
_cell_volume                     4021.4(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    10535
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      32.1090
_cell_measurement_theta_min      3.6990
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.675
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.86174
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1760
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0418
_diffrn_reflns_av_unetI/netI     0.0500
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.900
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            36999
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.900
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         32.847
_diffrn_reflns_theta_min         3.061
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0416
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.900
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   24.00   51.00   1.0000    5.6650
omega____ theta____ kappa____ phi______ frames
    -       25.9925   37.0000    0.0000 27

#__ type_ start__ end____ width___ exp.time_
  2 omega   54.00   84.00   1.0000    5.6650
omega____ theta____ kappa____ phi______ frames
    -       25.9925    0.0000 -120.0000 30

#__ type_ start__ end____ width___ exp.time_
  3 omega  -25.00   55.00   1.0000    5.6650
omega____ theta____ kappa____ phi______ frames
    -       25.9925  -99.0000    0.0000 80

#__ type_ start__ end____ width___ exp.time_
  4 omega   55.00   81.00   1.0000    5.6650
omega____ theta____ kappa____ phi______ frames
    -       25.9925 -178.0000    0.0000 26

#__ type_ start__ end____ width___ exp.time_
  5 omega  -43.00   36.00   1.0000    5.6650
omega____ theta____ kappa____ phi______ frames
    -       25.9925    0.0000 -120.0000 79

#__ type_ start__ end____ width___ exp.time_
  6 omega  -69.00  -42.00   1.0000    5.6650
omega____ theta____ kappa____ phi______ frames
    -      -23.6487  -77.0000  -60.0000 27

#__ type_ start__ end____ width___ exp.time_
  7 omega  -90.00    3.00   1.0000    5.6650
omega____ theta____ kappa____ phi______ frames
    -      -23.6487  -77.0000 -120.0000 93
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Agilent, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0477675000
_diffrn_orient_matrix_UB_12      -0.0137171000
_diffrn_orient_matrix_UB_13      -0.0034601000
_diffrn_orient_matrix_UB_21      0.0120129000
_diffrn_orient_matrix_UB_22      0.0407535000
_diffrn_orient_matrix_UB_23      -0.0082945000
_diffrn_orient_matrix_UB_31      0.0221373000
_diffrn_orient_matrix_UB_32      0.0076421000
_diffrn_orient_matrix_UB_33      0.0380718000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9990
_reflns_number_total             13487
_reflns_odcompleteness_completeness 99.85
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     30.44
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         1.193
_refine_diff_density_min         -0.482
_refine_diff_density_rms         0.085
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     479
_refine_ls_number_reflns         13487
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0702
_refine_ls_R_factor_gt           0.0449
_refine_ls_restrained_S_all      1.085
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0380P)²+2.5575P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0962
_refine_ls_wR_factor_ref         0.1121
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B)
2.b Aromatic/amide H refined with riding coordinates:
 N1(H1), C9(H9), C10(H10), C11(H11), C12(H12), C13(H13), C15(H15), C16(H16),
 C17(H17), C18(H18), C19(H19), C21(H21), C22(H22), C23(H23), C24(H24), C25(H25),
  C27(H27), C28(H28), C29(H29), C30(H30), C31(H31), C33(H33), C34(H34),
 C35(H35), C36(H36), C37(H37), C39(H39), C40(H40), C41(H41), C42(H42), C43(H43)
2.c Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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 0.31816(2) 0.48341(2) 0.75053(2) 0.02778(5) Uani 1 1 d . . . . .
S1 S 0.41757(6) 0.39095(5) 0.85350(4) 0.04678(18) Uani 1 1 d . . . . .
P1 P 0.39655(5) 0.50402(4) 0.64932(3) 0.02462(12) Uani 1 1 d . . . . .
P2 P 0.13568(4) 0.45620(4) 0.72965(3) 0.02453(11) Uani 1 1 d . . . . .
O1 O 0.33811(18) 0.62263(12) 0.80931(11) 0.0487(5) Uani 1 1 d . . . . .
O2 O 0.37763(17) 0.62462(16) 0.92755(12) 0.0583(6) Uani 1 1 d . . . . .
O3 O 0.22155(17) 0.63428(17) 0.86571(13) 0.0606(6) Uani 1 1 d . . . . .
N1 N 0.53991(19) 0.51810(18) 0.91262(17) 0.0562(7) Uani 1 1 d . . . . .
H1 H 0.4885 0.5527 0.9050 0.067 Uiso 1 1 calc R . . . .
N2 N 0.62092(19) 0.40491(16) 0.90625(15) 0.0473(6) Uani 1 1 d . . . . .
N3 N 0.31180(18) 0.62740(13) 0.86669(12) 0.0365(5) Uani 1 1 d . . . . .
C1 C 0.5300(2) 0.44039(18) 0.89179(14) 0.0381(6) Uani 1 1 d . . . . .
C2 C 0.6435(3) 0.5409(3) 0.9492(2) 0.0605(9) Uani 1 1 d . . . . .
H2A H 0.6507 0.5585 1.0007 0.073 Uiso 1 1 calc R . . . .
H2B H 0.6675 0.5856 0.9225 0.073 Uiso 1 1 calc R . . . .
C3 C 0.7004(2) 0.4614(2) 0.9467(2) 0.0580(9) Uani 1 1 d . . . . .
H3A H 0.7533 0.4691 0.9204 0.070 Uiso 1 1 calc R . . . .
H3B H 0.7329 0.4406 0.9970 0.070 Uiso 1 1 calc R . . . .
C4 C 0.6413(3) 0.3185(2) 0.8978(3) 0.0732(12) Uani 1 1 d . . . . .
H4A H 0.5770 0.2909 0.8715 0.088 Uiso 1 1 calc R . . . .
H4B H 0.6654 0.2932 0.9474 0.088 Uiso 1 1 calc R . . . .
C5 C 0.7201(4) 0.3031(3) 0.8559(3) 0.0790(13) Uani 1 1 d . . . . .
H5A H 0.7866 0.3236 0.8864 0.095 Uiso 1 1 calc R . . . .
H5B H 0.7266 0.2428 0.8507 0.095 Uiso 1 1 calc R . . . .
C6 C 0.7010(4) 0.3397(3) 0.7834(3) 0.0801(12) Uani 1 1 d . . . . .
H6A H 0.6966 0.4001 0.7886 0.096 Uiso 1 1 calc R . . . .
H6B H 0.6338 0.3204 0.7531 0.096 Uiso 1 1 calc R . . . .
C7 C 0.7780(4) 0.3219(3) 0.7422(2) 0.0732(12) Uani 1 1 d . . . . .
H7A H 0.7596 0.3514 0.6951 0.110 Uiso 1 1 calc GR . . . .
H7B H 0.7794 0.2626 0.7330 0.110 Uiso 1 1 calc GR . . . .
H7C H 0.8453 0.3400 0.7717 0.110 Uiso 1 1 calc GR . . . .
C8 C 0.52683(18) 0.54237(15) 0.67642(12) 0.0290(5) Uani 1 1 d . . . . .
C9 C 0.60583(19) 0.50941(16) 0.65264(14) 0.0335(5) Uani 1 1 d . . . . .
H9 H 0.5936 0.4631 0.6206 0.040 Uiso 1 1 calc R . . . .
C10 C 0.7021(2) 0.54302(19) 0.67485(16) 0.0413(6) Uani 1 1 d . . . . .
H10 H 0.7559 0.5192 0.6589 0.050 Uiso 1 1 calc R . . . .
C11 C 0.7204(2) 0.6110(2) 0.72012(17) 0.0509(8) Uani 1 1 d . . . . .
H11 H 0.7866 0.6345 0.7350 0.061 Uiso 1 1 calc R . . . .
C12 C 0.6422(3) 0.6450(3) 0.7439(2) 0.0681(11) Uani 1 1 d . . . . .
H12 H 0.6547 0.6922 0.7749 0.082 Uiso 1 1 calc R . . . .
C13 C 0.5457(2) 0.6107(2) 0.72270(18) 0.0544(9) Uani 1 1 d . . . . .
H13 H 0.4925 0.6339 0.7398 0.065 Uiso 1 1 calc R . . . .
C14 C 0.40351(17) 0.40740(14) 0.60109(12) 0.0253(4) Uani 1 1 d . . . . .
C15 C 0.3683(2) 0.39874(15) 0.52491(13) 0.0308(5) Uani 1 1 d . . . . .
H15 H 0.3386 0.4444 0.4953 0.037 Uiso 1 1 calc R . . . .
C16 C 0.3764(2) 0.32327(16) 0.49176(14) 0.0375(6) Uani 1 1 d . . . . .
H16 H 0.3507 0.3174 0.4398 0.045 Uiso 1 1 calc R . . . .
C17 C 0.4216(2) 0.25687(16) 0.53418(15) 0.0390(6) Uani 1 1 d . . . . .
H17 H 0.4294 0.2061 0.5113 0.047 Uiso 1 1 calc R . . . .
C18 C 0.4555(2) 0.26471(16) 0.61021(15) 0.0382(6) Uani 1 1 d . . . . .
H18 H 0.4859 0.2191 0.6396 0.046 Uiso 1 1 calc R . . . .
C19 C 0.4450(2) 0.33900(15) 0.64338(13) 0.0320(5) Uani 1 1 d . . . . .
H19 H 0.4663 0.3434 0.6957 0.038 Uiso 1 1 calc R . . . .
C20 C 0.33213(18) 0.57383(13) 0.57583(12) 0.0257(4) Uani 1 1 d . . . . .
C21 C 0.23094(19) 0.59288(16) 0.56762(13) 0.0317(5) Uani 1 1 d . . . . .
H21 H 0.1969 0.5707 0.6010 0.038 Uiso 1 1 calc R . . . .
C22 C 0.1787(2) 0.64425(17) 0.51087(15) 0.0402(6) Uani 1 1 d . . . . .
H22 H 0.1093 0.6571 0.5056 0.048 Uiso 1 1 calc R . . . .
C23 C 0.2276(2) 0.67661(17) 0.46222(14) 0.0405(6) Uani 1 1 d . . . . .
H23 H 0.1916 0.7113 0.4232 0.049 Uiso 1 1 calc R . . . .
C24 C 0.3283(2) 0.65865(16) 0.47020(14) 0.0381(6) Uani 1 1 d . . . . .
H24 H 0.3620 0.6815 0.4369 0.046 Uiso 1 1 calc R . . . .
C25 C 0.3809(2) 0.60748(16) 0.52655(13) 0.0335(5) Uani 1 1 d . . . . .
H25 H 0.4505 0.5953 0.5317 0.040 Uiso 1 1 calc R . . . .
C26 C 0.10601(17) 0.35688(14) 0.68395(12) 0.0265(4) Uani 1 1 d . . . . .
C27 C 0.0262(2) 0.30716(17) 0.68964(15) 0.0377(6) Uani 1 1 d . . . . .
H27 H -0.0180 0.3253 0.7175 0.045 Uiso 1 1 calc R . . . .
C28 C 0.0102(2) 0.23117(17) 0.65505(15) 0.0426(6) Uani 1 1 d . . . . .
H28 H -0.0450 0.1978 0.6592 0.051 Uiso 1 1 calc R . . . .
C29 C 0.0739(3) 0.20361(17) 0.61459(15) 0.0457(7) Uani 1 1 d . . . . .
H29 H 0.0626 0.1515 0.5909 0.055 Uiso 1 1 calc R . . . .
C30 C 0.1537(2) 0.25197(19) 0.60874(16) 0.0457(7) Uani 1 1 d . . . . .
H30 H 0.1978 0.2332 0.5810 0.055 Uiso 1 1 calc R . . . .
C31 C 0.1700(2) 0.32773(17) 0.64297(14) 0.0363(5) Uani 1 1 d . . . . .
H31 H 0.2256 0.3606 0.6386 0.044 Uiso 1 1 calc R . . . .
C32 C 0.04970(17) 0.52909(15) 0.67000(12) 0.0276(4) Uani 1 1 d . . . . .
C33 C 0.0625(2) 0.61197(16) 0.68865(14) 0.0374(6) Uani 1 1 d . . . . .
H33 H 0.1144 0.6284 0.7311 0.045 Uiso 1 1 calc R . . . .
C34 C -0.0004(3) 0.67088(18) 0.64548(16) 0.0482(7) Uani 1 1 d . . . . .
H34 H 0.0075 0.7274 0.6588 0.058 Uiso 1 1 calc R . . . .
C35 C -0.0745(3) 0.64671(19) 0.58297(17) 0.0520(8) Uani 1 1 d . . . . .
H35 H -0.1179 0.6867 0.5535 0.062 Uiso 1 1 calc R . . . .
C36 C -0.0856(2) 0.5653(2) 0.56335(17) 0.0520(8) Uani 1 1 d . . . . .
H36 H -0.1356 0.5495 0.5197 0.062 Uiso 1 1 calc R . . . .
C37 C -0.0244(2) 0.50604(18) 0.60664(16) 0.0414(6) Uani 1 1 d . . . . .
H37 H -0.0332 0.4496 0.5930 0.050 Uiso 1 1 calc R . . . .
C38 C 0.08408(19) 0.44690(15) 0.80902(12) 0.0294(5) Uani 1 1 d . . . . .
C39 C 0.1393(2) 0.4018(2) 0.86936(14) 0.0441(7) Uani 1 1 d . . . . .
H39 H 0.2033 0.3787 0.8695 0.053 Uiso 1 1 calc R . . . .
C40 C 0.1004(3) 0.3905(2) 0.92969(16) 0.0557(8) Uani 1 1 d . . . . .
H40 H 0.1373 0.3586 0.9705 0.067 Uiso 1 1 calc R . . . .
C41 C 0.0093(3) 0.4252(2) 0.93060(16) 0.0521(8) Uani 1 1 d . . . . .
H41 H -0.0167 0.4169 0.9719 0.063 Uiso 1 1 calc R . . . .
C42 C -0.0443(3) 0.4716(2) 0.87226(18) 0.0516(8) Uani 1 1 d . . . . .
H42 H -0.1067 0.4965 0.8735 0.062 Uiso 1 1 calc R . . . .
C43 C -0.0073(2) 0.48212(18) 0.81131(16) 0.0407(6) Uani 1 1 d . . . . .
H43 H -0.0450 0.5139 0.7707 0.049 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 S1 2.5340(7) . ?
Ag1 P1 2.4524(6) . ?
Ag1 P2 2.4554(6) . ?
Ag1 O1 2.4999(19) . ?
S1 C1 1.708(3) . ?
P1 C8 1.822(2) . ?
P1 C14 1.829(2) . ?
P1 C20 1.819(2) . ?
P2 C26 1.821(2) . ?
P2 C32 1.823(2) . ?
P2 C38 1.826(2) . ?
O1 N3 1.232(3) . ?
O2 N3 1.249(3) . ?
O3 N3 1.233(3) . ?
N1 H1 0.8800 . ?
N1 C1 1.318(4) . ?
N1 C2 1.442(4) . ?
N2 C1 1.329(3) . ?
N2 C3 1.465(4) . ?
N2 C4 1.449(4) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.515(5) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C5 1.520(5) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C6 1.447(6) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C7 1.495(6) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.385(3) . ?
C8 C13 1.392(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.379(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.376(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.381(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.385(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.390(3) . ?
C14 C19 1.394(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.394(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.383(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.385(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.385(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.383(3) . ?
C20 C25 1.394(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.389(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.377(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.374(4) . ?
C24 H24 0.9500 . ?
C24 C25 1.384(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.384(3) . ?
C26 C31 1.398(3) . ?
C27 H27 0.9500 . ?
C27 C28 1.385(4) . ?
C28 H28 0.9500 . ?
C28 C29 1.379(4) . ?
C29 H29 0.9500 . ?
C29 C30 1.372(4) . ?
C30 H30 0.9500 . ?
C30 C31 1.379(4) . ?
C31 H31 0.9500 . ?
C32 C33 1.390(3) . ?
C32 C37 1.389(3) . ?
C33 H33 0.9500 . ?
C33 C34 1.390(4) . ?
C34 H34 0.9500 . ?
C34 C35 1.383(4) . ?
C35 H35 0.9500 . ?
C35 C36 1.369(4) . ?
C36 H36 0.9500 . ?
C36 C37 1.385(4) . ?
C37 H37 0.9500 . ?
C38 C39 1.389(4) . ?
C38 C43 1.384(4) . ?
C39 H39 0.9500 . ?
C39 C40 1.393(4) . ?
C40 H40 0.9500 . ?
C40 C41 1.370(5) . ?
C41 H41 0.9500 . ?
C41 C42 1.368(5) . ?
C42 H42 0.9500 . ?
C42 C43 1.386(4) . ?
C43 H43 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 S1 114.81(2) . . ?
P1 Ag1 P2 122.73(2) . . ?
P1 Ag1 O1 101.72(5) . . ?
P2 Ag1 S1 108.88(2) . . ?
P2 Ag1 O1 102.50(6) . . ?
O1 Ag1 S1 103.09(6) . . ?
C1 S1 Ag1 106.02(9) . . ?
C8 P1 Ag1 115.47(7) . . ?
C8 P1 C14 104.65(11) . . ?
C14 P1 Ag1 111.25(7) . . ?
C20 P1 Ag1 116.97(8) . . ?
C20 P1 C8 103.42(11) . . ?
C20 P1 C14 103.70(10) . . ?
C26 P2 Ag1 108.65(8) . . ?
C26 P2 C32 105.16(10) . . ?
C26 P2 C38 103.18(11) . . ?
C32 P2 Ag1 115.88(8) . . ?
C32 P2 C38 103.33(11) . . ?
C38 P2 Ag1 119.13(8) . . ?
N3 O1 Ag1 115.03(16) . . ?
C1 N1 H1 123.3 . . ?
C1 N1 C2 113.3(3) . . ?
C2 N1 H1 123.3 . . ?
C1 N2 C3 110.7(3) . . ?
C1 N2 C4 126.5(3) . . ?
C4 N2 C3 121.7(3) . . ?
O1 N3 O2 119.6(3) . . ?
O1 N3 O3 121.6(2) . . ?
O3 N3 O2 118.9(2) . . ?
N1 C1 S1 125.7(2) . . ?
N1 C1 N2 109.9(3) . . ?
N2 C1 S1 124.4(2) . . ?
N1 C2 H2A 111.3 . . ?
N1 C2 H2B 111.3 . . ?
N1 C2 C3 102.2(3) . . ?
H2A C2 H2B 109.2 . . ?
C3 C2 H2A 111.3 . . ?
C3 C2 H2B 111.3 . . ?
N2 C3 C2 103.7(2) . . ?
N2 C3 H3A 111.0 . . ?
N2 C3 H3B 111.0 . . ?
C2 C3 H3A 111.0 . . ?
C2 C3 H3B 111.0 . . ?
H3A C3 H3B 109.0 . . ?
N2 C4 H4A 108.8 . . ?
N2 C4 H4B 108.8 . . ?
N2 C4 C5 113.7(3) . . ?
H4A C4 H4B 107.7 . . ?
C5 C4 H4A 108.8 . . ?
C5 C4 H4B 108.8 . . ?
C4 C5 H5A 108.1 . . ?
C4 C5 H5B 108.1 . . ?
H5A C5 H5B 107.3 . . ?
C6 C5 C4 116.9(4) . . ?
C6 C5 H5A 108.1 . . ?
C6 C5 H5B 108.1 . . ?
C5 C6 H6A 108.3 . . ?
C5 C6 H6B 108.3 . . ?
C5 C6 C7 116.1(4) . . ?
H6A C6 H6B 107.4 . . ?
C7 C6 H6A 108.3 . . ?
C7 C6 H6B 108.3 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 P1 124.43(19) . . ?
C9 C8 C13 118.9(2) . . ?
C13 C8 P1 116.6(2) . . ?
C8 C9 H9 119.6 . . ?
C10 C9 C8 120.8(3) . . ?
C10 C9 H9 119.6 . . ?
C9 C10 H10 119.9 . . ?
C11 C10 C9 120.1(3) . . ?
C11 C10 H10 119.9 . . ?
C10 C11 H11 120.1 . . ?
C10 C11 C12 119.8(3) . . ?
C12 C11 H11 120.1 . . ?
C11 C12 H12 119.8 . . ?
C11 C12 C13 120.4(3) . . ?
C13 C12 H12 119.8 . . ?
C8 C13 H13 120.0 . . ?
C12 C13 C8 120.0(3) . . ?
C12 C13 H13 120.0 . . ?
C15 C14 P1 123.32(18) . . ?
C15 C14 C19 118.8(2) . . ?
C19 C14 P1 117.92(17) . . ?
C14 C15 H15 119.9 . . ?
C14 C15 C16 120.3(2) . . ?
C16 C15 H15 119.9 . . ?
C15 C16 H16 119.8 . . ?
C17 C16 C15 120.3(2) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 H17 120.1 . . ?
C16 C17 C18 119.7(2) . . ?
C18 C17 H17 120.1 . . ?
C17 C18 H18 120.0 . . ?
C19 C18 C17 120.0(2) . . ?
C19 C18 H18 120.0 . . ?
C14 C19 H19 119.6 . . ?
C18 C19 C14 120.9(2) . . ?
C18 C19 H19 119.6 . . ?
C21 C20 P1 119.00(18) . . ?
C21 C20 C25 118.9(2) . . ?
C25 C20 P1 122.09(19) . . ?
C20 C21 H21 119.8 . . ?
C20 C21 C22 120.5(2) . . ?
C22 C21 H21 119.8 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 120.1(3) . . ?
C23 C22 H22 120.0 . . ?
C22 C23 H23 120.0 . . ?
C24 C23 C22 120.0(2) . . ?
C24 C23 H23 120.0 . . ?
C23 C24 H24 119.8 . . ?
C23 C24 C25 120.4(2) . . ?
C25 C24 H24 119.8 . . ?
C20 C25 H25 119.9 . . ?
C24 C25 C20 120.2(2) . . ?
C24 C25 H25 119.9 . . ?
C27 C26 P2 123.93(19) . . ?
C27 C26 C31 118.0(2) . . ?
C31 C26 P2 117.99(18) . . ?
C26 C27 H27 119.7 . . ?
C26 C27 C28 120.6(3) . . ?
C28 C27 H27 119.7 . . ?
C27 C28 H28 119.8 . . ?
C29 C28 C27 120.5(3) . . ?
C29 C28 H28 119.8 . . ?
C28 C29 H29 120.2 . . ?
C30 C29 C28 119.6(3) . . ?
C30 C29 H29 120.2 . . ?
C29 C30 H30 119.9 . . ?
C29 C30 C31 120.3(3) . . ?
C31 C30 H30 119.9 . . ?
C26 C31 H31 119.5 . . ?
C30 C31 C26 121.0(3) . . ?
C30 C31 H31 119.5 . . ?
C33 C32 P2 117.26(18) . . ?
C37 C32 P2 123.36(19) . . ?
C37 C32 C33 119.3(2) . . ?
C32 C33 H33 119.9 . . ?
C32 C33 C34 120.2(3) . . ?
C34 C33 H33 119.9 . . ?
C33 C34 H34 120.2 . . ?
C35 C34 C33 119.6(3) . . ?
C35 C34 H34 120.2 . . ?
C34 C35 H35 119.8 . . ?
C36 C35 C34 120.3(3) . . ?
C36 C35 H35 119.8 . . ?
C35 C36 H36 119.7 . . ?
C35 C36 C37 120.5(3) . . ?
C37 C36 H36 119.7 . . ?
C32 C37 H37 120.0 . . ?
C36 C37 C32 119.9(3) . . ?
C36 C37 H37 120.0 . . ?
C39 C38 P2 118.0(2) . . ?
C43 C38 P2 123.0(2) . . ?
C43 C38 C39 119.0(2) . . ?
C38 C39 H39 120.2 . . ?
C38 C39 C40 119.6(3) . . ?
C40 C39 H39 120.2 . . ?
C39 C40 H40 119.7 . . ?
C41 C40 C39 120.5(3) . . ?
C41 C40 H40 119.7 . . ?
C40 C41 H41 119.9 . . ?
C42 C41 C40 120.3(3) . . ?
C42 C41 H41 119.9 . . ?
C41 C42 H42 120.1 . . ?
C41 C42 C43 119.8(3) . . ?
C43 C42 H42 120.1 . . ?
C38 C43 C42 120.7(3) . . ?
C38 C43 H43 119.6 . . ?
C42 C43 H43 119.6 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1 O1 0.88 2.59 3.366(4) 147.0 .
N1 H1 O2 0.88 2.05 2.886(4) 158.9 .
N1 H1 N3 0.88 2.62 3.484(3) 167.1 .
C28 H28 O3 0.95 2.55 3.461(4) 161.8 2_546
C33 H33 O3 0.95 2.56 3.465(3) 159.5 .

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
Ag1 S1 C1 N1 49.1(3) . . . . ?
Ag1 S1 C1 N2 -132.2(2) . . . . ?
Ag1 P1 C8 C9 132.27(19) . . . . ?
Ag1 P1 C8 C13 -49.4(3) . . . . ?
Ag1 P1 C14 C15 128.83(19) . . . . ?
Ag1 P1 C14 C19 -50.2(2) . . . . ?
Ag1 P1 C20 C21 -18.7(2) . . . . ?
Ag1 P1 C20 C25 162.62(17) . . . . ?
Ag1 P2 C26 C27 153.04(19) . . . . ?
Ag1 P2 C26 C31 -24.4(2) . . . . ?
Ag1 P2 C32 C33 -54.3(2) . . . . ?
Ag1 P2 C32 C37 123.6(2) . . . . ?
Ag1 P2 C38 C39 -43.0(2) . . . . ?
Ag1 P2 C38 C43 137.5(2) . . . . ?
Ag1 O1 N3 O2 99.4(2) . . . . ?
Ag1 O1 N3 O3 -80.1(3) . . . . ?
P1 C8 C9 C10 178.9(2) . . . . ?
P1 C8 C13 C12 -178.0(3) . . . . ?
P1 C14 C15 C16 179.8(2) . . . . ?
P1 C14 C19 C18 -177.9(2) . . . . ?
P1 C20 C21 C22 -178.3(2) . . . . ?
P1 C20 C25 C24 178.28(19) . . . . ?
P2 C26 C27 C28 -178.0(2) . . . . ?
P2 C26 C31 C30 178.1(2) . . . . ?
P2 C32 C33 C34 179.9(2) . . . . ?
P2 C32 C37 C36 -178.7(2) . . . . ?
P2 C38 C39 C40 -177.4(2) . . . . ?
P2 C38 C43 C42 178.4(2) . . . . ?
N1 C2 C3 N2 2.0(4) . . . . ?
N2 C4 C5 C6 -55.1(6) . . . . ?
C1 N1 C2 C3 1.1(4) . . . . ?
C1 N2 C3 C2 -4.5(3) . . . . ?
C1 N2 C4 C5 130.9(4) . . . . ?
C2 N1 C1 S1 174.7(2) . . . . ?
C2 N1 C1 N2 -4.1(4) . . . . ?
C3 N2 C1 S1 -173.4(2) . . . . ?
C3 N2 C1 N1 5.4(3) . . . . ?
C3 N2 C4 C5 -61.9(5) . . . . ?
C4 N2 C1 S1 -5.0(4) . . . . ?
C4 N2 C1 N1 173.9(3) . . . . ?
C4 N2 C3 C2 -173.6(3) . . . . ?
C4 C5 C6 C7 -178.4(4) . . . . ?
C8 P1 C14 C15 -105.8(2) . . . . ?
C8 P1 C14 C19 75.2(2) . . . . ?
C8 P1 C20 C21 -146.83(19) . . . . ?
C8 P1 C20 C25 34.5(2) . . . . ?
C8 C9 C10 C11 -1.2(4) . . . . ?
C9 C8 C13 C12 0.4(5) . . . . ?
C9 C10 C11 C12 0.7(5) . . . . ?
C10 C11 C12 C13 0.4(6) . . . . ?
C11 C12 C13 C8 -0.9(6) . . . . ?
C13 C8 C9 C10 0.6(4) . . . . ?
C14 P1 C8 C9 9.6(2) . . . . ?
C14 P1 C8 C13 -172.1(2) . . . . ?
C14 P1 C20 C21 104.16(19) . . . . ?
C14 P1 C20 C25 -74.5(2) . . . . ?
C14 C15 C16 C17 -1.5(4) . . . . ?
C15 C14 C19 C18 3.1(4) . . . . ?
C15 C16 C17 C18 2.5(4) . . . . ?
C16 C17 C18 C19 -0.7(4) . . . . ?
C17 C18 C19 C14 -2.1(4) . . . . ?
C19 C14 C15 C16 -1.3(4) . . . . ?
C20 P1 C8 C9 -98.7(2) . . . . ?
C20 P1 C8 C13 79.6(2) . . . . ?
C20 P1 C14 C15 2.3(2) . . . . ?
C20 P1 C14 C19 -176.73(19) . . . . ?
C20 C21 C22 C23 0.0(4) . . . . ?
C21 C20 C25 C24 -0.4(4) . . . . ?
C21 C22 C23 C24 -0.6(4) . . . . ?
C22 C23 C24 C25 0.6(4) . . . . ?
C23 C24 C25 C20 -0.1(4) . . . . ?
C25 C20 C21 C22 0.4(4) . . . . ?
C26 P2 C32 C33 -174.3(2) . . . . ?
C26 P2 C32 C37 3.6(3) . . . . ?
C26 P2 C38 C39 77.5(2) . . . . ?
C26 P2 C38 C43 -102.1(2) . . . . ?
C26 C27 C28 C29 0.3(4) . . . . ?
C27 C26 C31 C30 0.5(4) . . . . ?
C27 C28 C29 C30 0.1(4) . . . . ?
C28 C29 C30 C31 -0.1(5) . . . . ?
C29 C30 C31 C26 -0.2(4) . . . . ?
C31 C26 C27 C28 -0.6(4) . . . . ?
C32 P2 C26 C27 -82.3(2) . . . . ?
C32 P2 C26 C31 100.2(2) . . . . ?
C32 P2 C38 C39 -173.2(2) . . . . ?
C32 P2 C38 C43 7.3(2) . . . . ?
C32 C33 C34 C35 -1.3(5) . . . . ?
C33 C32 C37 C36 -0.9(4) . . . . ?
C33 C34 C35 C36 -0.4(5) . . . . ?
C34 C35 C36 C37 1.5(6) . . . . ?
C35 C36 C37 C32 -0.8(5) . . . . ?
C37 C32 C33 C34 2.0(4) . . . . ?
C38 P2 C26 C27 25.7(2) . . . . ?
C38 P2 C26 C31 -151.8(2) . . . . ?
C38 P2 C32 C33 77.8(2) . . . . ?
C38 P2 C32 C37 -104.3(2) . . . . ?
C38 C39 C40 C41 -1.5(5) . . . . ?
C39 C38 C43 C42 -1.1(4) . . . . ?
C39 C40 C41 C42 -0.3(5) . . . . ?
C40 C41 C42 C43 1.4(5) . . . . ?
C41 C42 C43 C38 -0.7(5) . . . . ?
C43 C38 C39 C40 2.2(4) . . . . ?

