# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1450953'
_audit_update_record             
;
2016-01-31 deposited with the CCDC.
2016-05-03 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C62 H56 Ag4 N8 O12 P4'
_chemical_formula_sum            'C62 H56 Ag4 N8 O12 P4'
_chemical_formula_weight         1660.50

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   9.777(2)
_cell_length_b                   13.823(3)
_cell_length_c                   14.107(3)
_cell_angle_alpha                115.21(3)
_cell_angle_beta                 101.54(3)
_cell_angle_gamma                96.00(3)
_cell_volume                     1650.8(7)
_cell_formula_units_Z            1
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    5853
_cell_measurement_theta_min      3.0123
_cell_measurement_theta_max      27.4778

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.670
_exptl_crystal_F_000             828
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    1.331
_shelx_estimated_absorpt_T_min   0.777
_shelx_estimated_absorpt_T_max   0.777
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8060
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   
'Jacobson, R. (1998) Private communication to Rigaku Company, Tokyo, Japan.'
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      223(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       /w
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15793
_diffrn_reflns_av_unetI/netI     0.0388
_diffrn_reflns_av_R_equivalents  0.0234
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.012
_diffrn_reflns_theta_max         27.472
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_point_group_measured_fraction_full 0.989
_reflns_number_total             7420
_reflns_number_gt                5447
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'CrystalClear, Ver. 1.30 (Rigaku/MSC, 2001)'
_computing_cell_refinement       'CrystalClear, Ver. 1.30 (Rigaku/MSC, 2001)'
_computing_data_reduction        'CrystalClear, Ver. 1.30 (Rigaku/MSC, 2001)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'SHELXL-2013 (Sheldrick, 2013)'
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0534P)²]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7420
_refine_ls_number_parameters     406
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0564
_refine_ls_R_factor_gt           0.0363
_refine_ls_wR_factor_ref         0.1008
_refine_ls_wR_factor_gt          0.0928
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_restrained_S_all      0.997
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.67781(3) 0.31036(3) 0.22065(2) 0.06266(11) Uani 1 1 d . . . . .
Ag2 Ag 0.81270(3) 0.66155(2) 0.48365(2) 0.05235(10) Uani 1 1 d . . . . .
P1 P 0.43333(8) 0.24778(6) 0.19419(6) 0.04029(18) Uani 1 1 d . . . . .
P2 P 0.32082(9) 0.20334(6) 0.51674(7) 0.0441(2) Uani 1 1 d . . . . .
N1 N 0.4756(3) 0.2774(2) 0.4047(2) 0.0429(6) Uani 1 1 d . . . . .
N2 N 0.7755(3) 0.51204(18) 0.51030(19) 0.0384(5) Uani 1 1 d . . . . .
N3 N 0.8166(3) 0.5044(3) 0.2114(3) 0.0561(7) Uani 1 1 d . . . . .
N4 N 0.9405(3) 0.2302(2) 0.2881(3) 0.0607(8) Uani 1 1 d . . . . .
O1 O 0.8068(3) 0.49895(19) 0.29745(19) 0.0586(6) Uani 1 1 d . . . . .
O2 O 0.7644(3) 0.4215(3) 0.1236(2) 0.0905(10) Uani 1 1 d . . . . .
O3 O 0.8775(3) 0.5904(3) 0.2193(3) 0.0960(11) Uani 1 1 d . . . . .
O4 O 0.8768(4) 0.2372(3) 0.2086(3) 0.1102(13) Uani 1 1 d . U . . .
O5 O 0.9120(4) 0.2783(3) 0.3736(3) 0.1082(12) Uani 1 1 d . . . . .
O6 O 1.0465(3) 0.1913(3) 0.2901(3) 0.1002(11) Uani 1 1 d . . . . .
C1 C 0.3801(3) 0.2956(2) 0.3237(2) 0.0398(7) Uani 1 1 d . . . . .
H1A H 0.3804 0.3739 0.3526 0.048 Uiso 1 1 calc R U . . .
H1B H 0.2826 0.2567 0.3090 0.048 Uiso 1 1 calc R U . . .
C2 C 0.4278(3) 0.1799(2) 0.4162(2) 0.0430(7) Uani 1 1 d . . . . .
H2A H 0.5118 0.1537 0.4384 0.052 Uiso 1 1 calc R U . . .
H2B H 0.3700 0.1222 0.3450 0.052 Uiso 1 1 calc R U . . .
C3 C 0.6061(3) 0.3489(2) 0.4672(2) 0.0353(6) Uani 1 1 d . . . . .
C4 C 0.7007(3) 0.3334(3) 0.5445(3) 0.0488(8) Uani 1 1 d . . . . .
H4 H 0.6763 0.2737 0.5580 0.059 Uiso 1 1 calc R U . . .
C5 C 0.8305(4) 0.4061(3) 0.6016(3) 0.0545(9) Uani 1 1 d . . . . .
H5 H 0.8952 0.3957 0.6537 0.065 Uiso 1 1 calc R U . . .
C6 C 0.8654(3) 0.4937(2) 0.5822(3) 0.0474(8) Uani 1 1 d . . . . .
H6 H 0.9549 0.5418 0.6206 0.057 Uiso 1 1 calc R U . . .
C7 C 0.6490(3) 0.4417(2) 0.4546(2) 0.0357(6) Uani 1 1 d . . . . .
H7 H 0.5857 0.4555 0.4044 0.043 Uiso 1 1 calc R U . . .
C8 C 0.3088(3) 0.2898(2) 0.1129(2) 0.0426(7) Uani 1 1 d . . . . .
C9 C 0.1777(4) 0.3086(3) 0.1296(3) 0.0607(9) Uani 1 1 d . . . . .
H9 H 0.1492 0.2986 0.1852 0.073 Uiso 1 1 calc R U . . .
C10 C 0.0871(4) 0.3420(4) 0.0660(4) 0.0742(12) Uani 1 1 d . . . . .
H10 H -0.0004 0.3571 0.0801 0.089 Uiso 1 1 calc R U . . .
C11 C 0.1264(5) 0.3529(4) -0.0180(3) 0.0749(12) Uani 1 1 d . . . . .
H11 H 0.0646 0.3737 -0.0627 0.090 Uiso 1 1 calc R U . . .
C12 C 0.2538(5) 0.3336(4) -0.0363(3) 0.0821(13) Uani 1 1 d . . . . .
H12 H 0.2795 0.3407 -0.0942 0.099 Uiso 1 1 calc R U . . .
C13 C 0.3474(4) 0.3034(3) 0.0294(3) 0.0628(10) Uani 1 1 d . . . . .
H13 H 0.4367 0.2923 0.0170 0.075 Uiso 1 1 calc R U . . .
C14 C 0.3775(4) 0.1000(3) 0.1352(3) 0.0545(9) Uani 1 1 d . . . . .
C15 C 0.4801(6) 0.0399(3) 0.1379(4) 0.0831(14) Uani 1 1 d . . . . .
H15 H 0.5771 0.0754 0.1668 0.100 Uiso 1 1 calc R U . . .
C16 C 0.4421(9) -0.0731(4) 0.0982(5) 0.117(2) Uani 1 1 d . . . . .
H16 H 0.5128 -0.1132 0.1033 0.140 Uiso 1 1 calc R U . . .
C17 C 0.3007(10) -0.1257(4) 0.0514(4) 0.117(2) Uani 1 1 d . . . . .
H17 H 0.2749 -0.2023 0.0214 0.140 Uiso 1 1 calc R U . . .
C18 C 0.1985(8) -0.0671(4) 0.0486(5) 0.123(2) Uani 1 1 d . . . . .
H18 H 0.1018 -0.1031 0.0173 0.148 Uiso 1 1 calc R U . . .
C19 C 0.2365(5) 0.0465(3) 0.0922(4) 0.0930(16) Uani 1 1 d . . . . .
H19 H 0.1649 0.0869 0.0920 0.112 Uiso 1 1 calc R U . . .
C20 C 0.2316(4) 0.0642(3) 0.4771(4) 0.0626(11) Uani 1 1 d . . . . .
C21 C 0.2367(6) 0.0209(4) 0.5490(5) 0.0924(16) Uani 1 1 d . . . . .
H21 H 0.2950 0.0613 0.6208 0.111 Uiso 1 1 calc R U . . .
C22 C 0.1560(8) -0.0825(5) 0.5160(8) 0.136(3) Uani 1 1 d . . . . .
H22 H 0.1594 -0.1112 0.5658 0.163 Uiso 1 1 calc R U . . .
C23 C 0.0729(8) -0.1418(5) 0.4130(9) 0.155(4) Uani 1 1 d . . . . .
H23 H 0.0207 -0.2122 0.3916 0.186 Uiso 1 1 calc R U . . .
C24 C 0.0627(5) -0.1013(4) 0.3380(6) 0.123(3) Uani 1 1 d . . . . .
H24 H 0.0035 -0.1434 0.2667 0.148 Uiso 1 1 calc R U . . .
C25 C 0.1422(4) 0.0042(3) 0.3700(5) 0.0834(14) Uani 1 1 d . . . . .
H25 H 0.1356 0.0338 0.3208 0.100 Uiso 1 1 calc R U . . .
C26 C 0.4522(4) 0.2466(3) 0.6444(3) 0.0542(9) Uani 1 1 d . . . . .
C27 C 0.5524(4) 0.1860(3) 0.6602(3) 0.0698(12) Uani 1 1 d . . . . .
H27 H 0.5496 0.1166 0.6044 0.084 Uiso 1 1 calc R U . . .
C28 C 0.6566(5) 0.2293(5) 0.7596(4) 0.0933(16) Uani 1 1 d . . . . .
H28 H 0.7247 0.1888 0.7696 0.112 Uiso 1 1 calc R U . . .
C29 C 0.6620(6) 0.3283(6) 0.8418(4) 0.1107(19) Uani 1 1 d . . . . .
H29 H 0.7334 0.3565 0.9080 0.133 Uiso 1 1 calc R U . . .
C30 C 0.5625(7) 0.3868(5) 0.8276(4) 0.1105(19) Uani 1 1 d . . . . .
H30 H 0.5635 0.4543 0.8855 0.133 Uiso 1 1 calc R U . . .
C31 C 0.4591(5) 0.3477(3) 0.7282(3) 0.0753(12) Uani 1 1 d . . . . .
H31 H 0.3943 0.3905 0.7185 0.090 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 O4 2.288(3) . ?
Ag1 P1 2.3530(11) . ?
Ag1 O1 2.433(3) . ?
Ag2 N2 2.259(2) . ?
Ag2 P2 2.3889(10) 2_666 ?
P1 C8 1.813(3) . ?
P1 C14 1.817(3) . ?
P1 C1 1.863(3) . ?
P2 C26 1.802(4) . ?
P2 C20 1.819(3) . ?
P2 C2 1.867(3) . ?
P2 Ag2 2.3889(10) 2_666 ?
N1 C3 1.388(4) . ?
N1 C1 1.452(4) . ?
N1 C2 1.464(4) . ?
N2 C6 1.332(4) . ?
N2 C7 1.342(4) . ?
N3 O3 1.221(4) . ?
N3 O2 1.235(4) . ?
N3 O1 1.269(4) . ?
N4 O5 1.209(4) . ?
N4 O6 1.217(4) . ?
N4 O4 1.218(4) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C3 C4 1.388(4) . ?
C3 C7 1.402(4) . ?
C4 C5 1.380(4) . ?
C4 H4 0.9400 . ?
C5 C6 1.374(4) . ?
C5 H5 0.9400 . ?
C6 H6 0.9400 . ?
C7 H7 0.9400 . ?
C8 C9 1.380(5) . ?
C8 C13 1.386(5) . ?
C9 C10 1.387(5) . ?
C9 H9 0.9400 . ?
C10 C11 1.376(6) . ?
C10 H10 0.9400 . ?
C11 C12 1.352(6) . ?
C11 H11 0.9400 . ?
C12 C13 1.393(5) . ?
C12 H12 0.9400 . ?
C13 H13 0.9400 . ?
C14 C15 1.372(5) . ?
C14 C19 1.373(6) . ?
C15 C16 1.393(6) . ?
C15 H15 0.9400 . ?
C16 C17 1.375(9) . ?
C16 H16 0.9400 . ?
C17 C18 1.355(8) . ?
C17 H17 0.9400 . ?
C18 C19 1.396(6) . ?
C18 H18 0.9400 . ?
C19 H19 0.9400 . ?
C20 C21 1.377(6) . ?
C20 C25 1.409(6) . ?
C21 C22 1.389(7) . ?
C21 H21 0.9400 . ?
C22 C23 1.348(11) . ?
C22 H22 0.9400 . ?
C23 C24 1.385(11) . ?
C23 H23 0.9400 . ?
C24 C25 1.412(6) . ?
C24 H24 0.9400 . ?
C25 H25 0.9400 . ?
C26 C31 1.376(5) . ?
C26 C27 1.398(5) . ?
C27 C28 1.395(6) . ?
C27 H27 0.9400 . ?
C28 C29 1.353(7) . ?
C28 H28 0.9400 . ?
C29 C30 1.365(7) . ?
C29 H29 0.9400 . ?
C30 C31 1.398(6) . ?
C30 H30 0.9400 . ?
C31 H31 0.9400 . ?

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
O4 Ag1 P1 137.19(11) . . ?
O4 Ag1 O1 95.01(13) . . ?
P1 Ag1 O1 127.47(7) . . ?
N2 Ag2 P2 134.81(7) . 2_666 ?
C8 P1 C14 106.10(16) . . ?
C8 P1 C1 103.09(14) . . ?
C14 P1 C1 102.32(15) . . ?
C8 P1 Ag1 116.47(11) . . ?
C14 P1 Ag1 114.20(13) . . ?
C1 P1 Ag1 113.12(10) . . ?
C26 P2 C20 105.75(19) . . ?
C26 P2 C2 104.29(15) . . ?
C20 P2 C2 101.63(15) . . ?
C26 P2 Ag2 113.24(11) . 2_666 ?
C20 P2 Ag2 121.15(12) . 2_666 ?
C2 P2 Ag2 108.99(11) . 2_666 ?
C3 N1 C1 121.2(2) . . ?
C3 N1 C2 122.1(2) . . ?
C1 N1 C2 116.7(2) . . ?
C6 N2 C7 118.6(3) . . ?
C6 N2 Ag2 124.6(2) . . ?
C7 N2 Ag2 116.64(19) . . ?
O3 N3 O2 123.3(4) . . ?
O3 N3 O1 118.8(3) . . ?
O2 N3 O1 117.8(3) . . ?
O5 N4 O6 117.5(4) . . ?
O5 N4 O4 119.0(4) . . ?
O6 N4 O4 122.5(4) . . ?
N3 O1 Ag1 100.5(2) . . ?
N4 O4 Ag1 117.0(3) . . ?
N1 C1 P1 111.9(2) . . ?
N1 C1 H1A 109.2 . . ?
P1 C1 H1A 109.2 . . ?
N1 C1 H1B 109.2 . . ?
P1 C1 H1B 109.2 . . ?
H1A C1 H1B 107.9 . . ?
N1 C2 P2 113.9(2) . . ?
N1 C2 H2A 108.8 . . ?
P2 C2 H2A 108.8 . . ?
N1 C2 H2B 108.8 . . ?
P2 C2 H2B 108.8 . . ?
H2A C2 H2B 107.7 . . ?
N1 C3 C4 122.7(3) . . ?
N1 C3 C7 120.8(3) . . ?
C4 C3 C7 116.4(3) . . ?
C5 C4 C3 119.7(3) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C6 C5 C4 120.0(3) . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
N2 C6 C5 121.7(3) . . ?
N2 C6 H6 119.2 . . ?
C5 C6 H6 119.2 . . ?
N2 C7 C3 123.6(3) . . ?
N2 C7 H7 118.2 . . ?
C3 C7 H7 118.2 . . ?
C9 C8 C13 118.2(3) . . ?
C9 C8 P1 123.6(3) . . ?
C13 C8 P1 118.2(3) . . ?
C8 C9 C10 121.3(4) . . ?
C8 C9 H9 119.3 . . ?
C10 C9 H9 119.3 . . ?
C11 C10 C9 119.4(4) . . ?
C11 C10 H10 120.3 . . ?
C9 C10 H10 120.3 . . ?
C12 C11 C10 120.1(4) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 C13 120.9(4) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 H12 119.6 . . ?
C8 C13 C12 120.0(4) . . ?
C8 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C15 C14 C19 118.7(4) . . ?
C15 C14 P1 118.6(3) . . ?
C19 C14 P1 122.6(3) . . ?
C14 C15 C16 120.7(5) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 H15 119.7 . . ?
C17 C16 C15 119.7(6) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C18 C17 C16 120.0(5) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C18 C19 120.1(6) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 H18 119.9 . . ?
C14 C19 C18 120.7(5) . . ?
C14 C19 H19 119.7 . . ?
C18 C19 H19 119.7 . . ?
C21 C20 C25 119.7(4) . . ?
C21 C20 P2 123.1(4) . . ?
C25 C20 P2 116.8(3) . . ?
C20 C21 C22 120.3(6) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C23 C22 C21 120.5(7) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C22 C23 C24 121.4(6) . . ?
C22 C23 H23 119.3 . . ?
C24 C23 H23 119.3 . . ?
C23 C24 C25 119.2(7) . . ?
C23 C24 H24 120.4 . . ?
C25 C24 H24 120.4 . . ?
C20 C25 C24 118.9(5) . . ?
C20 C25 H25 120.6 . . ?
C24 C25 H25 120.6 . . ?
C31 C26 C27 118.7(4) . . ?
C31 C26 P2 117.8(3) . . ?
C27 C26 P2 123.4(3) . . ?
C28 C27 C26 119.5(4) . . ?
C28 C27 H27 120.3 . . ?
C26 C27 H27 120.3 . . ?
C29 C28 C27 121.5(4) . . ?
C29 C28 H28 119.2 . . ?
C27 C28 H28 119.2 . . ?
C28 C29 C30 119.2(5) . . ?
C28 C29 H29 120.4 . . ?
C30 C29 H29 120.4 . . ?
C29 C30 C31 121.0(5) . . ?
C29 C30 H30 119.5 . . ?
C31 C30 H30 119.5 . . ?
C26 C31 C30 120.1(4) . . ?
C26 C31 H31 120.0 . . ?
C30 C31 H31 120.0 . . ?

_refine_diff_density_max         0.742
_refine_diff_density_min         -0.642
_refine_diff_density_rms         0.067

_shelxl_version_number           2013-2

####################################################################### 
# 
# 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 1450954'
_audit_update_record             
;
2016-01-31 deposited with the CCDC.
2016-05-03 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C62 H56 Ag4 N8 O12 P4'
_chemical_formula_sum            'C62 H56 Ag4 N8 O12 P4'
_chemical_formula_weight         1660.50

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   13.2011(3)
_cell_length_b                   14.8654(5)
_cell_length_c                   16.4747(5)
_cell_angle_alpha                90
_cell_angle_beta                 95.590(3)
_cell_angle_gamma                90
_cell_volume                     3217.61(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    8360
_cell_measurement_theta_min      3.6870
_cell_measurement_theta_max      28.4530

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.714
_exptl_crystal_F_000             1656
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    1.366
_shelx_estimated_absorpt_T_min   0.685
_shelx_estimated_absorpt_T_max   0.876
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.63280
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_detector_area_resol_mean 10.4471
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_number            24597
_diffrn_reflns_av_unetI/netI     0.0419
_diffrn_reflns_av_R_equivalents  0.0359
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.009
_diffrn_reflns_theta_max         30.342
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.875
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.875
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.875
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             8485
_reflns_number_gt                5757
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'SHELXL-2013 (Sheldrick, 2013)'
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0466P)²+0.6231P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8485
_refine_ls_number_parameters     406
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0716
_refine_ls_R_factor_gt           0.0413
_refine_ls_wR_factor_ref         0.1059
_refine_ls_wR_factor_gt          0.0918
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.51368(2) 0.61947(2) 0.41718(2) 0.06490(11) Uani 1 1 d . . . . .
Ag2 Ag 0.37672(2) 0.35512(2) 0.33966(2) 0.05039(9) Uani 1 1 d . . . . .
P1 P 0.44156(5) 0.74110(6) 0.33815(5) 0.04130(19) Uani 1 1 d . . . . .
P2 P 0.07040(5) 0.82120(5) 0.28901(5) 0.03836(18) Uani 1 1 d . . . . .
N1 N 0.23390(16) 0.71120(17) 0.33848(16) 0.0404(6) Uani 1 1 d . . . . .
N2 N 0.26469(17) 0.46762(17) 0.37049(15) 0.0414(6) Uani 1 1 d . . . . .
N3 N 0.5993(2) 0.4421(2) 0.4112(2) 0.0609(8) Uani 1 1 d . . . . .
N4 N 0.3119(3) 0.2362(2) 0.4732(2) 0.0605(8) Uani 1 1 d . . . . .
O1 O 0.50971(18) 0.4579(2) 0.4254(2) 0.0829(9) Uani 1 1 d . . . . .
O2 O 0.6545(2) 0.5060(2) 0.4016(2) 0.0914(10) Uani 1 1 d . . . . .
O3 O 0.6269(3) 0.3638(2) 0.4070(3) 0.1295(17) Uani 1 1 d . . . . .
O4 O 0.3728(2) 0.3010(2) 0.47280(17) 0.0802(8) Uani 1 1 d . . . . .
O5 O 0.2691(3) 0.2146(2) 0.4066(2) 0.1051(12) Uani 1 1 d . U . . .
O6 O 0.2966(3) 0.1995(2) 0.5360(2) 0.1112(12) Uani 1 1 d . . . . .
C1 C 0.31172(18) 0.7285(2) 0.28379(18) 0.0391(7) Uani 1 1 d . . . . .
H1A H 0.2944 0.7830 0.2532 0.047 Uiso 1 1 calc R U . . .
H1B H 0.3123 0.6793 0.2451 0.047 Uiso 1 1 calc R U . . .
C2 C 0.1784(2) 0.7889(2) 0.36391(18) 0.0403(7) Uani 1 1 d . . . . .
H2A H 0.2248 0.8393 0.3720 0.048 Uiso 1 1 calc R U . . .
H2B H 0.1526 0.7758 0.4158 0.048 Uiso 1 1 calc R U . . .
C3 C 0.21864(19) 0.62523(19) 0.36749(17) 0.0349(6) Uani 1 1 d . . . . .
C4 C 0.1485(2) 0.6067(2) 0.4228(2) 0.0453(7) Uani 1 1 d . . . . .
H4 H 0.1075 0.6523 0.4401 0.054 Uiso 1 1 calc R U . . .
C5 C 0.1399(2) 0.5207(2) 0.4519(2) 0.0505(8) Uani 1 1 d . . . . .
H5 H 0.0943 0.5085 0.4901 0.061 Uiso 1 1 calc R U . . .
C6 C 0.1984(2) 0.4525(2) 0.4247(2) 0.0475(7) Uani 1 1 d . . . . .
H6 H 0.1915 0.3946 0.4447 0.057 Uiso 1 1 calc R U . . .
C7 C 0.2747(2) 0.5515(2) 0.34307(18) 0.0393(7) Uani 1 1 d . . . . .
H7 H 0.3216 0.5616 0.3055 0.047 Uiso 1 1 calc R U . . .
C8 C 0.5178(2) 0.7758(2) 0.2578(2) 0.0464(8) Uani 1 1 d . . . . .
C9 C 0.6226(2) 0.7670(3) 0.2709(2) 0.0734(12) Uani 1 1 d . . . . .
H9 H 0.6519 0.7443 0.3204 0.088 Uiso 1 1 calc R U . . .
C10 C 0.6838(3) 0.7916(4) 0.2117(3) 0.0808(13) Uani 1 1 d . . . . .
H10 H 0.7541 0.7858 0.2220 0.097 Uiso 1 1 calc R U . . .
C11 C 0.6435(3) 0.8244(3) 0.1383(3) 0.0681(11) Uani 1 1 d . . . . .
H11 H 0.6855 0.8422 0.0990 0.082 Uiso 1 1 calc R U . . .
C12 C 0.5406(3) 0.8305(4) 0.1237(3) 0.0866(15) Uani 1 1 d . . . . .
H12 H 0.5118 0.8512 0.0734 0.104 Uiso 1 1 calc R U . . .
C13 C 0.4782(3) 0.8062(3) 0.1824(3) 0.0797(14) Uani 1 1 d . . . . .
H13 H 0.4080 0.8105 0.1709 0.096 Uiso 1 1 calc R U . . .
C14 C 0.4208(2) 0.8405(2) 0.3980(2) 0.0513(8) Uani 1 1 d . . . . .
C15 C 0.4069(3) 0.9256(3) 0.3638(3) 0.0680(10) Uani 1 1 d . . . . .
H15 H 0.4189 0.9349 0.3097 0.082 Uiso 1 1 calc R U . . .
C16 C 0.3756(3) 0.9964(3) 0.4093(4) 0.0901(15) Uani 1 1 d . . . . .
H16 H 0.3670 1.0531 0.3858 0.108 Uiso 1 1 calc R U . . .
C17 C 0.3571(4) 0.9840(4) 0.4883(4) 0.1016(19) Uani 1 1 d . . . . .
H17 H 0.3352 1.0320 0.5183 0.122 Uiso 1 1 calc R U . . .
C18 C 0.3707(3) 0.9005(4) 0.5242(3) 0.0911(16) Uani 1 1 d . . . . .
H18 H 0.3572 0.8918 0.5780 0.109 Uiso 1 1 calc R U . . .
C19 C 0.4049(3) 0.8289(3) 0.4789(2) 0.0668(10) Uani 1 1 d . . . . .
H19 H 0.4169 0.7731 0.5035 0.080 Uiso 1 1 calc R U . . .
C20 C -0.02026(19) 0.7310(2) 0.29947(19) 0.0392(7) Uani 1 1 d . . . . .
C21 C -0.0205(2) 0.6596(2) 0.2461(2) 0.0521(8) Uani 1 1 d . . . . .
H21 H 0.0200 0.6620 0.2030 0.063 Uiso 1 1 calc R U . . .
C22 C -0.0802(3) 0.5839(3) 0.2554(3) 0.0648(10) Uani 1 1 d . . . . .
H22 H -0.0784 0.5357 0.2197 0.078 Uiso 1 1 calc R U . . .
C23 C -0.1419(3) 0.5808(3) 0.3178(3) 0.0652(10) Uani 1 1 d . . . . .
H23 H -0.1816 0.5302 0.3247 0.078 Uiso 1 1 calc R U . . .
C24 C -0.1448(3) 0.6523(3) 0.3698(2) 0.0623(10) Uani 1 1 d . . . . .
H24 H -0.1885 0.6507 0.4108 0.075 Uiso 1 1 calc R U . . .
C25 C -0.0835(2) 0.7274(2) 0.3623(2) 0.0507(8) Uani 1 1 d . . . . .
H25 H -0.0847 0.7749 0.3989 0.061 Uiso 1 1 calc R U . . .
C26 C 0.0196(2) 0.9215(2) 0.3336(2) 0.0465(7) Uani 1 1 d . . . . .
C27 C 0.0800(3) 0.9792(3) 0.3811(4) 0.1015(18) Uani 1 1 d . . . . .
H27 H 0.1477 0.9642 0.3957 0.122 Uiso 1 1 calc R U . . .
C28 C 0.0423(5) 1.0599(4) 0.4081(4) 0.122(2) Uani 1 1 d . . . . .
H28 H 0.0853 1.0990 0.4391 0.147 Uiso 1 1 calc R U . . .
C29 C -0.0569(4) 1.0821(3) 0.3893(4) 0.1043(18) Uani 1 1 d . . . . .
H29 H -0.0830 1.1350 0.4091 0.125 Uiso 1 1 calc R U . . .
C30 C -0.1165(4) 1.0265(4) 0.3419(4) 0.1067(19) Uani 1 1 d . . . . .
H30 H -0.1842 1.0419 0.3278 0.128 Uiso 1 1 calc R U . . .
C31 C -0.0795(3) 0.9463(3) 0.3133(3) 0.0894(15) Uani 1 1 d . . . . .
H31 H -0.1223 0.9092 0.2800 0.107 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 P1 2.3727(8) . ?
Ag1 O1 2.406(3) . ?
Ag1 O4 2.530(3) 3_666 ?
Ag1 O2 2.541(3) . ?
Ag2 N2 2.321(2) . ?
Ag2 O4 2.341(3) . ?
Ag2 P2 2.3502(8) 2_545 ?
P1 C14 1.811(4) . ?
P1 C8 1.814(3) . ?
P1 C1 1.864(3) . ?
P2 C20 1.817(3) . ?
P2 C26 1.819(3) . ?
P2 C2 1.855(3) . ?
P2 Ag2 2.3502(8) 2 ?
N1 C3 1.386(4) . ?
N1 C2 1.451(4) . ?
N1 C1 1.454(3) . ?
N2 C6 1.329(4) . ?
N2 C7 1.337(4) . ?
N3 O2 1.217(4) . ?
N3 O3 1.224(4) . ?
N3 O1 1.250(3) . ?
N4 O6 1.204(4) . ?
N4 O5 1.226(4) . ?
N4 O4 1.256(4) . ?
O4 Ag1 2.529(3) 3_666 ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.388(4) . ?
C3 C7 1.402(4) . ?
C4 C5 1.374(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.375(4) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C13 1.376(5) . ?
C8 C9 1.385(4) . ?
C9 C10 1.376(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.364(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.360(5) . ?
C11 H11 0.9300 . ?
C12 C13 1.378(5) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C19 1.381(5) . ?
C14 C15 1.390(5) . ?
C15 C16 1.380(6) . ?
C15 H15 0.9300 . ?
C16 C17 1.360(8) . ?
C16 H16 0.9300 . ?
C17 C18 1.379(8) . ?
C17 H17 0.9300 . ?
C18 C19 1.400(6) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C21 1.378(5) . ?
C20 C25 1.392(4) . ?
C21 C22 1.390(5) . ?
C21 H21 0.9300 . ?
C22 C23 1.373(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.368(6) . ?
C23 H23 0.9300 . ?
C24 C25 1.392(5) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 C27 1.365(5) . ?
C26 C31 1.369(5) . ?
C27 C28 1.388(6) . ?
C27 H27 0.9300 . ?
C28 C29 1.356(7) . ?
C28 H28 0.9300 . ?
C29 C30 1.340(7) . ?
C29 H29 0.9300 . ?
C30 C31 1.388(6) . ?
C30 H30 0.9300 . ?
C31 H31 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 O1 141.42(7) . . ?
P1 Ag1 O4 102.42(7) . 3_666 ?
O1 Ag1 O4 116.15(10) . 3_666 ?
P1 Ag1 O2 135.11(8) . . ?
O1 Ag1 O2 50.48(8) . . ?
O4 Ag1 O2 89.69(11) 3_666 . ?
N2 Ag2 O4 88.28(10) . . ?
N2 Ag2 P2 127.12(7) . 2_545 ?
O4 Ag2 P2 143.78(8) . 2_545 ?
C14 P1 C8 106.81(16) . . ?
C14 P1 C1 99.37(14) . . ?
C8 P1 C1 103.14(13) . . ?
C14 P1 Ag1 113.37(12) . . ?
C8 P1 Ag1 113.31(10) . . ?
C1 P1 Ag1 119.21(10) . . ?
C20 P2 C26 107.12(14) . . ?
C20 P2 C2 102.47(13) . . ?
C26 P2 C2 103.49(14) . . ?
C20 P2 Ag2 120.01(11) . 2 ?
C26 P2 Ag2 110.03(11) . 2 ?
C2 P2 Ag2 112.27(10) . 2 ?
C3 N1 C2 122.7(2) . . ?
C3 N1 C1 120.8(2) . . ?
C2 N1 C1 116.4(2) . . ?
C6 N2 C7 118.5(3) . . ?
C6 N2 Ag2 120.0(2) . . ?
C7 N2 Ag2 120.81(18) . . ?
O2 N3 O3 123.4(3) . . ?
O2 N3 O1 117.9(3) . . ?
O3 N3 O1 118.8(3) . . ?
O6 N4 O5 123.3(4) . . ?
O6 N4 O4 120.8(4) . . ?
O5 N4 O4 115.8(3) . . ?
N3 O1 Ag1 98.7(2) . . ?
N3 O2 Ag1 92.9(2) . . ?
N4 O4 Ag2 109.9(2) . . ?
N4 O4 Ag1 133.6(2) . 3_666 ?
Ag2 O4 Ag1 116.44(13) . 3_666 ?
N1 C1 P1 113.09(19) . . ?
N1 C1 H1A 109.0 . . ?
P1 C1 H1A 109.0 . . ?
N1 C1 H1B 109.0 . . ?
P1 C1 H1B 109.0 . . ?
H1A C1 H1B 107.8 . . ?
N1 C2 P2 113.0(2) . . ?
N1 C2 H2A 109.0 . . ?
P2 C2 H2A 109.0 . . ?
N1 C2 H2B 109.0 . . ?
P2 C2 H2B 109.0 . . ?
H2A C2 H2B 107.8 . . ?
N1 C3 C4 122.6(3) . . ?
N1 C3 C7 121.5(3) . . ?
C4 C3 C7 115.9(3) . . ?
C5 C4 C3 119.8(3) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 120.2(3) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
N2 C6 C5 121.5(3) . . ?
N2 C6 H6 119.3 . . ?
C5 C6 H6 119.3 . . ?
N2 C7 C3 124.0(3) . . ?
N2 C7 H7 118.0 . . ?
C3 C7 H7 118.0 . . ?
C13 C8 C9 117.2(3) . . ?
C13 C8 P1 124.3(2) . . ?
C9 C8 P1 118.4(3) . . ?
C10 C9 C8 120.8(4) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C11 C10 C9 121.2(3) . . ?
C11 C10 H10 119.4 . . ?
C9 C10 H10 119.4 . . ?
C12 C11 C10 118.5(4) . . ?
C12 C11 H11 120.7 . . ?
C10 C11 H11 120.7 . . ?
C11 C12 C13 120.9(4) . . ?
C11 C12 H12 119.5 . . ?
C13 C12 H12 119.5 . . ?
C8 C13 C12 121.3(3) . . ?
C8 C13 H13 119.4 . . ?
C12 C13 H13 119.4 . . ?
C19 C14 C15 118.6(4) . . ?
C19 C14 P1 118.0(3) . . ?
C15 C14 P1 122.9(3) . . ?
C16 C15 C14 120.6(5) . . ?
C16 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C17 C16 C15 120.6(5) . . ?
C17 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
C16 C17 C18 120.3(5) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C17 C18 C19 119.4(5) . . ?
C17 C18 H18 120.3 . . ?
C19 C18 H18 120.3 . . ?
C14 C19 C18 120.5(4) . . ?
C14 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C21 C20 C25 118.7(3) . . ?
C21 C20 P2 117.9(2) . . ?
C25 C20 P2 123.1(3) . . ?
C20 C21 C22 121.2(3) . . ?
C20 C21 H21 119.4 . . ?
C22 C21 H21 119.4 . . ?
C23 C22 C21 119.6(4) . . ?
C23 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
C24 C23 C22 119.9(3) . . ?
C24 C23 H23 120.1 . . ?
C22 C23 H23 120.1 . . ?
C23 C24 C25 121.0(3) . . ?
C23 C24 H24 119.5 . . ?
C25 C24 H24 119.5 . . ?
C20 C25 C24 119.5(3) . . ?
C20 C25 H25 120.2 . . ?
C24 C25 H25 120.2 . . ?
C27 C26 C31 117.5(4) . . ?
C27 C26 P2 121.9(3) . . ?
C31 C26 P2 120.2(3) . . ?
C26 C27 C28 121.2(4) . . ?
C26 C27 H27 119.4 . . ?
C28 C27 H27 119.4 . . ?
C29 C28 C27 120.4(5) . . ?
C29 C28 H28 119.8 . . ?
C27 C28 H28 119.8 . . ?
C30 C29 C28 118.8(5) . . ?
C30 C29 H29 120.6 . . ?
C28 C29 H29 120.6 . . ?
C29 C30 C31 121.5(4) . . ?
C29 C30 H30 119.3 . . ?
C31 C30 H30 119.3 . . ?
C26 C31 C30 120.5(4) . . ?
C26 C31 H31 119.7 . . ?
C30 C31 H31 119.7 . . ?

_refine_diff_density_max         0.599
_refine_diff_density_min         -0.534
_refine_diff_density_rms         0.078

_shelxl_version_number           2013-2

####################################################################### 
# 
# 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 1450955'
_audit_update_record             
;
2016-01-31 deposited with the CCDC.
2016-05-03 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C70 H68 Ag4 N4 O8 P4'
_chemical_formula_sum            'C70 H68 Ag4 N4 O8 P4'
_chemical_formula_weight         1648.64

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

_cell_length_a                   13.1943(6)
_cell_length_b                   18.7064(9)
_cell_length_c                   18.1978(7)
_cell_angle_alpha                90
_cell_angle_beta                 130.379(2)
_cell_angle_gamma                90
_cell_volume                     3421.5(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    9039
_cell_measurement_theta_min      2.3003
_cell_measurement_theta_max      27.4445

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_F_000             1656
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    1.278
_shelx_estimated_absorpt_T_min   0.663
_shelx_estimated_absorpt_T_max   0.831
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.729
_exptl_absorpt_correction_T_max  0.788
_exptl_absorpt_process_details   
'SADABS-2008/1 - Bruker AXS area detector scaling and absorption correction'
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker ApexII'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            101858
_diffrn_reflns_av_unetI/netI     0.0239
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.300
_diffrn_reflns_theta_max         27.580
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7885
_reflns_number_gt                6902
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'SHELXL-2013 (Sheldrick, 2013)'
_computing_publication_material  ?

_refine_special_details          
;
 a phenyl group was disordered over two sites with occupancies 0.76/0.24
 for C14-C19/C14A-C19A and both sites were refined as rigid hexagons
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0670P)²+19.4664P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7885
_refine_ls_number_parameters     409
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0697
_refine_ls_R_factor_gt           0.0597
_refine_ls_wR_factor_ref         0.1662
_refine_ls_wR_factor_gt          0.1613
_refine_ls_goodness_of_fit_ref   1.160
_refine_ls_restrained_S_all      1.160
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.54464(4) 0.23049(3) 0.70515(3) 0.03760(15) Uani 1 1 d . . . . .
Ag2 Ag 0.72206(4) 0.06634(2) 0.82905(3) 0.03175(13) Uani 1 1 d . . . . .
P1 P 0.33241(13) 0.26227(8) 0.56544(10) 0.0263(3) Uani 1 1 d . . . . .
P2 P 0.44817(13) 0.47910(8) 0.74839(10) 0.0281(3) Uani 1 1 d . . . . .
N1 N 0.2637(4) 0.3713(2) 0.6302(3) 0.0262(9) Uani 1 1 d . . . . .
N2 N -0.0872(5) 0.4254(3) 0.4862(4) 0.0305(10) Uani 1 1 d . . . . .
O1 O 0.7105(4) 0.1577(2) 0.7376(4) 0.0417(10) Uani 1 1 d . . . . .
O2 O 0.9184(5) 0.1379(3) 0.8023(3) 0.0493(12) Uani 1 1 d . . . . .
O3 O 0.6304(5) 0.1739(3) 0.8608(4) 0.0536(13) Uani 1 1 d . . . . .
O4 O 0.6910(5) 0.2825(3) 0.8558(4) 0.0580(15) Uani 1 1 d . . . . .
C1 C 0.2718(5) 0.3546(3) 0.5562(4) 0.0258(11) Uani 1 1 d . . . . .
H1A H 0.1867 0.3569 0.4911 0.031 Uiso 1 1 d R U . . .
H1B H 0.3336 0.3848 0.5586 0.031 Uiso 1 1 d R U . . .
C2 C 0.3887(5) 0.3840(3) 0.7260(4) 0.0290(12) Uani 1 1 d . . . . .
H2A H 0.4560 0.3531 0.7364 0.035 Uiso 1 1 calc R U . . .
H2B H 0.3790 0.3710 0.7728 0.035 Uiso 1 1 calc R U . . .
C3 C 0.1469(5) 0.3967(3) 0.6073(4) 0.0272(11) Uani 1 1 d . . . . .
C4 C 0.1412(6) 0.4203(4) 0.6773(4) 0.0377(14) Uani 1 1 d . . . . .
H4 H 0.2173 0.4195 0.7421 0.045 Uiso 1 1 calc R U . . .
C5 C 0.0231(7) 0.4449(4) 0.6508(5) 0.0462(17) Uani 1 1 d . . . . .
H5 H 0.0195 0.4601 0.6977 0.055 Uiso 1 1 calc R U . . .
C6 C -0.0895(6) 0.4471(4) 0.5549(5) 0.0406(15) Uani 1 1 d . . . . .
H6 H -0.1686 0.4639 0.5377 0.049 Uiso 1 1 calc R U . . .
C7 C 0.0258(5) 0.4011(3) 0.5106(4) 0.0266(11) Uani 1 1 d . . . . .
H7 H 0.0253 0.3863 0.4616 0.032 Uiso 1 1 calc R U . . .
C8 C 0.2090(6) 0.2032(3) 0.5467(4) 0.0308(12) Uani 1 1 d . . . . .
C9 C 0.2518(7) 0.1442(4) 0.6054(5) 0.0400(14) Uani 1 1 d . . . . .
H9 H 0.3426 0.1369 0.6544 0.048 Uiso 1 1 calc R U . . .
C10 C 0.1638(8) 0.0960(4) 0.5935(7) 0.059(2) Uani 1 1 d . . . . .
H10 H 0.1952 0.0567 0.6344 0.071 Uiso 1 1 calc R U . . .
C11 C 0.0306(9) 0.1055(5) 0.5220(7) 0.075(3) Uani 1 1 d . . . . .
H11 H -0.0291 0.0721 0.5123 0.090 Uiso 1 1 calc R U . . .
C12 C -0.0146(8) 0.1646(5) 0.4646(8) 0.088(4) Uani 1 1 d . . . . .
H12 H -0.1057 0.1722 0.4175 0.105 Uiso 1 1 calc R U . . .
C13 C 0.0736(7) 0.2135(4) 0.4755(6) 0.062(2) Uani 1 1 d . . . . .
H13 H 0.0416 0.2530 0.4351 0.074 Uiso 1 1 calc R U . . .
C14 C 0.3193(6) 0.2629(4) 0.4586(3) 0.0268(19) Uani 0.760(10) 1 d G . P A 1
C15 C 0.4289(5) 0.2397(3) 0.4701(3) 0.0363(19) Uani 0.760(10) 1 d G . P A 1
H15 H 0.5055 0.2249 0.5304 0.044 Uiso 0.760(10) 1 calc R U P A 1
C16 C 0.4241(5) 0.2386(3) 0.3915(4) 0.047(2) Uani 0.760(10) 1 d G . P A 1
H16 H 0.4975 0.2231 0.3993 0.057 Uiso 0.760(10) 1 calc R U P A 1
C17 C 0.3097(7) 0.2608(4) 0.3014(4) 0.051(3) Uani 0.760(10) 1 d G . P A 1
H17 H 0.3065 0.2600 0.2489 0.061 Uiso 0.760(10) 1 calc R U P A 1
C18 C 0.2001(6) 0.2840(4) 0.2899(3) 0.055(3) Uani 0.760(10) 1 d G . P A 1
H18 H 0.1235 0.2988 0.2296 0.066 Uiso 0.760(10) 1 calc R U P A 1
C19 C 0.2049(5) 0.2851(4) 0.3685(4) 0.042(2) Uani 0.760(10) 1 d G . P A 1
H19 H 0.1315 0.3006 0.3607 0.051 Uiso 0.760(10) 1 calc R U P A 1
C14A C 0.292(2) 0.2527(12) 0.4494(11) 0.033(8) Uiso 0.240(10) 1 d G . P A 2
C15A C 0.3822(18) 0.2850(13) 0.4448(14) 0.054(8) Uiso 0.240(10) 1 d G . P A 2
H15A H 0.4606 0.3044 0.5001 0.065 Uiso 0.240(10) 1 calc R U P A 2
C16A C 0.356(2) 0.2885(13) 0.3574(17) 0.065(10) Uiso 0.240(10) 1 d G . P A 2
H16A H 0.4162 0.3102 0.3543 0.078 Uiso 0.240(10) 1 calc R U P A 2
C17A C 0.239(2) 0.2597(14) 0.2747(13) 0.055(10) Uiso 0.240(10) 1 d G . P A 2
H17A H 0.2207 0.2620 0.2163 0.066 Uiso 0.240(10) 1 calc R U P A 2
C18A C 0.1480(18) 0.2273(12) 0.2793(11) 0.053(8) Uiso 0.240(10) 1 d G . P A 2
H18A H 0.0696 0.2080 0.2240 0.063 Uiso 0.240(10) 1 calc R U P A 2
C19A C 0.1745(18) 0.2238(11) 0.3667(13) 0.037(6) Uiso 0.240(10) 1 d G . P A 2
H19A H 0.1139 0.2021 0.3698 0.044 Uiso 0.240(10) 1 calc R U P A 2
C20 C 0.5636(6) 0.4829(3) 0.8802(4) 0.0343(13) Uani 1 1 d . . . . .
C21 C 0.5545(7) 0.5398(3) 0.9237(5) 0.0365(13) Uani 1 1 d . . . . .
H21 H 0.4920 0.5756 0.8860 0.044 Uiso 1 1 calc R U . . .
C22 C 0.6384(8) 0.5440(4) 1.0236(5) 0.0541(19) Uani 1 1 d . . . . .
H22 H 0.6329 0.5831 1.0524 0.065 Uiso 1 1 calc R U . . .
C23 C 0.7285(9) 0.4913(5) 1.0798(6) 0.068(3) Uani 1 1 d . . . . .
H23 H 0.7826 0.4936 1.1466 0.081 Uiso 1 1 calc R U . . .
C24 C 0.7383(10) 0.4356(5) 1.0373(6) 0.088(4) Uani 1 1 d . . . . .
H24 H 0.8002 0.3998 1.0757 0.105 Uiso 1 1 calc R U . . .
C25 C 0.6582(9) 0.4308(5) 0.9379(5) 0.073(3) Uani 1 1 d . . . . .
H25 H 0.6680 0.3927 0.9101 0.087 Uiso 1 1 calc R U . . .
C26 C 0.5475(6) 0.4831(4) 0.7097(5) 0.0404(15) Uani 1 1 d . . . . .
C27 C 0.6450(8) 0.4323(5) 0.7396(8) 0.064(2) Uani 1 1 d . . . . .
H27 H 0.6624 0.3943 0.7793 0.077 Uiso 1 1 calc R U . . .
C28 C 0.7172(10) 0.4416(6) 0.7060(10) 0.093(4) Uani 1 1 d . . . . .
H28 H 0.7814 0.4082 0.7229 0.111 Uiso 1 1 calc R U . . .
C29 C 0.6930(12) 0.4990(6) 0.6494(9) 0.082(3) Uani 1 1 d . . . . .
H29 H 0.7420 0.5051 0.6295 0.098 Uiso 1 1 calc R U . . .
C30 C 0.5987(11) 0.5457(7) 0.6234(7) 0.081(3) Uani 1 1 d . . . . .
H30 H 0.5823 0.5844 0.5848 0.098 Uiso 1 1 calc R U . . .
C31 C 0.5262(7) 0.5384(5) 0.6515(5) 0.0540(19) Uani 1 1 d . . . . .
H31 H 0.4602 0.5717 0.6309 0.065 Uiso 1 1 calc R U . . .
C32 C 0.8163(6) 0.1735(3) 0.7545(4) 0.0335(12) Uani 1 1 d . . . . .
C33 C 0.8132(8) 0.2434(5) 0.7112(6) 0.062(2) Uani 1 1 d . . . . .
H33A H 0.8343 0.2820 0.7539 0.093 Uiso 1 1 calc R U . . .
H33B H 0.7260 0.2507 0.6501 0.093 Uiso 1 1 calc R U . . .
H33C H 0.8773 0.2419 0.7023 0.093 Uiso 1 1 calc R U . . .
C34 C 0.7007(8) 0.2303(4) 0.9012(5) 0.053(2) Uani 1 1 d . . . . .
C35 C 0.8019(13) 0.2327(6) 1.0101(6) 0.100(5) Uani 1 1 d . . . . .
H35A H 0.8881 0.2207 1.0316 0.150 Uiso 1 1 calc R U . . .
H35B H 0.7774 0.1989 1.0361 0.150 Uiso 1 1 calc R U . . .
H35C H 0.8043 0.2799 1.0320 0.150 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 O1 2.305(4) . ?
Ag1 O4 2.310(5) . ?
Ag1 P1 2.3311(14) . ?
Ag1 O3 2.504(5) . ?
Ag2 N2 2.283(5) 4_666 ?
Ag2 O1 2.321(4) . ?
Ag2 P2 2.3650(14) 2_646 ?
Ag2 O3 2.599(5) . ?
P1 C8 1.809(6) . ?
P1 C14A 1.819(15) . ?
P1 C14 1.837(4) . ?
P1 C1 1.864(5) . ?
P2 C20 1.829(6) . ?
P2 C26 1.848(7) . ?
P2 C2 1.879(6) . ?
P2 Ag2 2.3650(14) 2_656 ?
N1 C3 1.393(7) . ?
N1 C2 1.446(6) . ?
N1 C1 1.451(7) . ?
N2 C7 1.330(7) . ?
N2 C6 1.331(8) . ?
N2 Ag2 2.283(5) 4_465 ?
O1 C32 1.255(7) . ?
O2 C32 1.223(7) . ?
O3 C34 1.277(10) . ?
O4 C34 1.230(10) . ?
C1 H1A 0.9699 . ?
C1 H1B 0.9700 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.397(8) . ?
C3 C7 1.419(7) . ?
C4 C5 1.377(9) . ?
C4 H4 0.9300 . ?
C5 C6 1.377(9) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.377(9) . ?
C8 C13 1.380(9) . ?
C9 C10 1.372(10) . ?
C9 H9 0.9300 . ?
C10 C11 1.360(12) . ?
C10 H10 0.9300 . ?
C11 C12 1.363(13) . ?
C11 H11 0.9300 . ?
C12 C13 1.390(12) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C15 1.3900 . ?
C14 C19 1.3900 . ?
C15 C16 1.3900 . ?
C15 H15 0.9300 . ?
C16 C17 1.3900 . ?
C16 H16 0.9300 . ?
C17 C18 1.3900 . ?
C17 H17 0.9300 . ?
C18 C19 1.3900 . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C14A C15A 1.3900 . ?
C14A C19A 1.3900 . ?
C15A C16A 1.3900 . ?
C15A H15A 0.9300 . ?
C16A C17A 1.3900 . ?
C16A H16A 0.9300 . ?
C17A C18A 1.3900 . ?
C17A H17A 0.9300 . ?
C18A C19A 1.3900 . ?
C18A H18A 0.9300 . ?
C19A H19A 0.9300 . ?
C20 C21 1.378(8) . ?
C20 C25 1.382(9) . ?
C21 C22 1.389(9) . ?
C21 H21 0.9300 . ?
C22 C23 1.362(11) . ?
C22 H22 0.9300 . ?
C23 C24 1.353(12) . ?
C23 H23 0.9300 . ?
C24 C25 1.386(11) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 C31 1.372(11) . ?
C26 C27 1.396(10) . ?
C27 C28 1.437(14) . ?
C27 H27 0.9300 . ?
C28 C29 1.376(17) . ?
C28 H28 0.9300 . ?
C29 C30 1.331(15) . ?
C29 H29 0.9300 . ?
C30 C31 1.354(11) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C32 C33 1.514(10) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 C35 1.512(11) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?

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
O1 Ag1 O4 91.14(18) . . ?
O1 Ag1 P1 134.44(13) . . ?
O4 Ag1 P1 132.62(13) . . ?
O1 Ag1 O3 78.61(17) . . ?
O4 Ag1 O3 54.4(2) . . ?
P1 Ag1 O3 133.21(14) . . ?
N2 Ag2 O1 110.85(17) 4_666 . ?
N2 Ag2 P2 130.07(13) 4_666 2_646 ?
O1 Ag2 P2 119.01(13) . 2_646 ?
N2 Ag2 O3 87.89(17) 4_666 . ?
O1 Ag2 O3 76.41(17) . . ?
P2 Ag2 O3 105.53(14) 2_646 . ?
C8 P1 C14A 99.6(7) . . ?
C8 P1 C14 110.4(3) . . ?
C8 P1 C1 105.5(3) . . ?
C14A P1 C1 101.5(7) . . ?
C14 P1 C1 99.1(3) . . ?
C8 P1 Ag1 110.4(2) . . ?
C14A P1 Ag1 118.9(7) . . ?
C14 P1 Ag1 112.28(17) . . ?
C1 P1 Ag1 118.48(17) . . ?
C20 P2 C26 107.7(3) . . ?
C20 P2 C2 101.4(3) . . ?
C26 P2 C2 104.8(3) . . ?
C20 P2 Ag2 114.6(2) . 2_656 ?
C26 P2 Ag2 112.3(2) . 2_656 ?
C2 P2 Ag2 114.96(17) . 2_656 ?
C3 N1 C2 118.7(4) . . ?
C3 N1 C1 121.8(4) . . ?
C2 N1 C1 116.3(4) . . ?
C7 N2 C6 119.5(5) . . ?
C7 N2 Ag2 121.9(4) . 4_465 ?
C6 N2 Ag2 118.6(4) . 4_465 ?
C32 O1 Ag1 130.2(4) . . ?
C32 O1 Ag2 116.8(4) . . ?
Ag1 O1 Ag2 103.26(17) . . ?
C34 O3 Ag1 85.9(5) . . ?
C34 O3 Ag2 119.9(5) . . ?
Ag1 O3 Ag2 90.57(16) . . ?
C34 O4 Ag1 96.1(4) . . ?
N1 C1 P1 113.6(4) . . ?
N1 C1 H1A 113.6 . . ?
P1 C1 H1A 103.9 . . ?
N1 C1 H1B 113.3 . . ?
P1 C1 H1B 103.7 . . ?
H1A C1 H1B 107.7 . . ?
N1 C2 P2 114.0(4) . . ?
N1 C2 H2A 108.8 . . ?
P2 C2 H2A 108.8 . . ?
N1 C2 H2B 108.8 . . ?
P2 C2 H2B 108.8 . . ?
H2A C2 H2B 107.7 . . ?
N1 C3 C4 122.6(5) . . ?
N1 C3 C7 122.0(5) . . ?
C4 C3 C7 115.4(5) . . ?
C5 C4 C3 120.2(6) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 120.0(6) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
N2 C6 C5 121.3(6) . . ?
N2 C6 H6 119.4 . . ?
C5 C6 H6 119.4 . . ?
N2 C7 C3 123.6(5) . . ?
N2 C7 H7 118.2 . . ?
C3 C7 H7 118.2 . . ?
C9 C8 C13 118.1(6) . . ?
C9 C8 P1 118.5(5) . . ?
C13 C8 P1 123.4(5) . . ?
C10 C9 C8 121.6(6) . . ?
C10 C9 H9 119.2 . . ?
C8 C9 H9 119.2 . . ?
C11 C10 C9 120.1(8) . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C10 C11 C12 119.5(8) . . ?
C10 C11 H11 120.3 . . ?
C12 C11 H11 120.3 . . ?
C11 C12 C13 120.9(8) . . ?
C11 C12 H12 119.5 . . ?
C13 C12 H12 119.5 . . ?
C8 C13 C12 119.8(7) . . ?
C8 C13 H13 120.1 . . ?
C12 C13 H13 120.1 . . ?
C15 C14 C19 120.0 . . ?
C15 C14 P1 117.6(3) . . ?
C19 C14 P1 122.4(3) . . ?
C14 C15 C16 120.0 . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C17 C16 C15 120.0 . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C18 C17 C16 120.0 . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C19 C18 C17 120.0 . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C19 C14 120.0 . . ?
C18 C19 H19 120.0 . . ?
C14 C19 H19 120.0 . . ?
C15A C14A C19A 120.0 . . ?
C15A C14A P1 114.1(12) . . ?
C19A C14A P1 125.5(12) . . ?
C14A C15A C16A 120.0 . . ?
C14A C15A H15A 120.0 . . ?
C16A C15A H15A 120.0 . . ?
C17A C16A C15A 120.0 . . ?
C17A C16A H16A 120.0 . . ?
C15A C16A H16A 120.0 . . ?
C16A C17A C18A 120.0 . . ?
C16A C17A H17A 120.0 . . ?
C18A C17A H17A 120.0 . . ?
C19A C18A C17A 120.0 . . ?
C19A C18A H18A 120.0 . . ?
C17A C18A H18A 120.0 . . ?
C18A C19A C14A 120.0 . . ?
C18A C19A H19A 120.0 . . ?
C14A C19A H19A 120.0 . . ?
C21 C20 C25 118.7(6) . . ?
C21 C20 P2 118.4(5) . . ?
C25 C20 P2 122.9(5) . . ?
C20 C21 C22 120.2(6) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C23 C22 C21 120.7(7) . . ?
C23 C22 H22 119.6 . . ?
C21 C22 H22 119.6 . . ?
C24 C23 C22 119.2(7) . . ?
C24 C23 H23 120.4 . . ?
C22 C23 H23 120.4 . . ?
C23 C24 C25 121.4(8) . . ?
C23 C24 H24 119.3 . . ?
C25 C24 H24 119.3 . . ?
C20 C25 C24 119.7(7) . . ?
C20 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C31 C26 C27 119.4(7) . . ?
C31 C26 P2 118.9(5) . . ?
C27 C26 P2 121.7(7) . . ?
C26 C27 C28 116.7(9) . . ?
C26 C27 H27 121.7 . . ?
C28 C27 H27 121.7 . . ?
C29 C28 C27 121.2(8) . . ?
C29 C28 H28 119.4 . . ?
C27 C28 H28 119.4 . . ?
C30 C29 C28 119.2(9) . . ?
C30 C29 H29 120.4 . . ?
C28 C29 H29 120.4 . . ?
C29 C30 C31 121.7(11) . . ?
C29 C30 H30 119.1 . . ?
C31 C30 H30 119.1 . . ?
C30 C31 C26 121.8(9) . . ?
C30 C31 H31 119.1 . . ?
C26 C31 H31 119.1 . . ?
O2 C32 O1 125.8(6) . . ?
O2 C32 C33 119.1(6) . . ?
O1 C32 C33 115.1(6) . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
O4 C34 O3 123.2(7) . . ?
O4 C34 C35 118.5(8) . . ?
O3 C34 C35 118.3(9) . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?

_refine_diff_density_max         1.362
_refine_diff_density_min         -1.044
_refine_diff_density_rms         0.116

_shelxl_version_number           2013-2

####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 1450956'
_audit_update_record             
;
2016-01-31 deposited with the CCDC.
2016-05-03 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C90 H80 Ag4 N4 O10 P4'
_chemical_formula_sum            'C90 H80 Ag4 N4 O10 P4'
_chemical_formula_weight         1932.94

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   11.0884(4)
_cell_length_b                   13.1145(5)
_cell_length_c                   14.8180(5)
_cell_angle_alpha                90.780(3)
_cell_angle_beta                 92.476(3)
_cell_angle_gamma                108.267(3)
_cell_volume                     2043.48(13)
_cell_formula_units_Z            1
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    6979
_cell_measurement_theta_min      3.1450
_cell_measurement_theta_max      28.7430

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.571
_exptl_crystal_F_000             976
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    1.085
_shelx_estimated_absorpt_T_min   0.737
_shelx_estimated_absorpt_T_max   0.812
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.94509
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      223(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_detector_area_resol_mean 10.4471
_diffrn_reflns_number            21287
_diffrn_reflns_av_unetI/netI     0.0642
_diffrn_reflns_av_R_equivalents  0.0353
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.902
_diffrn_reflns_theta_max         30.290
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.863
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.863
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.863
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             10572
_reflns_number_gt                7487
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'SHELXL-2013 (Sheldrick, 2013)'
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0254P)²+0.1656P]
 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         10572
_refine_ls_number_parameters     507
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0734
_refine_ls_R_factor_gt           0.0423
_refine_ls_wR_factor_ref         0.0833
_refine_ls_wR_factor_gt          0.0700
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.76997(2) 0.33890(2) 0.40155(2) 0.03531(8) Uani 1 1 d . . . . .
Ag2 Ag 0.70114(2) 0.43550(2) 0.68545(2) 0.03430(8) Uani 1 1 d . . . . .
P1 P 0.61912(6) 0.34710(6) 0.28749(5) 0.02449(17) Uani 1 1 d . . . . .
P2 P 0.48721(6) 0.68819(6) 0.26550(5) 0.02474(17) Uani 1 1 d . . . . .
O1 O 0.82554(18) 0.34831(17) 0.56845(16) 0.0381(5) Uani 1 1 d . . . . .
O2 O 0.8402(2) 0.21403(18) 0.48289(17) 0.0437(6) Uani 1 1 d . . . . .
O3 O 0.88440(18) 0.55597(17) 0.75513(15) 0.0376(5) Uani 1 1 d . . . . .
O4 O 0.73138(19) 0.59263(18) 0.82876(16) 0.0413(6) Uani 1 1 d . . . . .
O5 O 0.9791(2) 0.45599(19) 0.39395(18) 0.0553(7) Uani 1 1 d . . . . .
H5O1 H 1.0329 0.4601 0.3539 0.063(13) Uiso 1 1 d R . . . .
H5O2 H 1.0373 0.5019 0.4258 0.078(14) Uiso 1 1 d R . . . .
N1 N 0.6143(2) 0.54980(18) 0.32732(18) 0.0283(6) Uani 1 1 d . . . . .
N2 N 0.7209(2) 0.55356(19) 0.56669(17) 0.0277(6) Uani 1 1 d . . . . .
C1 C 0.5283(2) 0.4396(2) 0.3151(2) 0.0274(7) Uani 1 1 d . . . . .
H1A H 0.4648 0.4364 0.2661 0.033 Uiso 1 1 calc R U . . .
H1B H 0.4834 0.4172 0.3706 0.033 Uiso 1 1 calc R U . . .
C2 C 0.6132(3) 0.6220(2) 0.2550(2) 0.0278(7) Uani 1 1 d . . . . .
H2A H 0.5991 0.5818 0.1971 0.033 Uiso 1 1 calc R U . . .
H2B H 0.6965 0.6774 0.2548 0.033 Uiso 1 1 calc R U . . .
C3 C 0.6783(2) 0.5860(2) 0.4103(2) 0.0251(6) Uani 1 1 d . . . . .
C4 C 0.7637(2) 0.6907(2) 0.4223(2) 0.0309(7) Uani 1 1 d . . . . .
H4 H 0.7817 0.7372 0.3734 0.037 Uiso 1 1 calc R U . . .
C5 C 0.8205(3) 0.7241(3) 0.5067(2) 0.0369(8) Uani 1 1 d . . . . .
H5 H 0.8760 0.7945 0.5160 0.044 Uiso 1 1 calc R U . . .
C6 C 0.7965(3) 0.6552(2) 0.5769(2) 0.0347(7) Uani 1 1 d . . . . .
H6 H 0.8345 0.6802 0.6343 0.042 Uiso 1 1 calc R U . . .
C7 C 0.6638(2) 0.5209(2) 0.4851(2) 0.0272(7) Uani 1 1 d . . . . .
H7 H 0.6106 0.4494 0.4779 0.033 Uiso 1 1 calc R U . . .
C8 C 0.6820(3) 0.3980(2) 0.1799(2) 0.0272(7) Uani 1 1 d . . . . .
C9 C 0.6038(3) 0.4047(2) 0.1062(2) 0.0343(7) Uani 1 1 d . . . . .
H9 H 0.5150 0.3796 0.1101 0.041 Uiso 1 1 calc R U . . .
C10 C 0.6563(3) 0.4484(3) 0.0265(3) 0.0455(9) Uani 1 1 d . . . . .
H10 H 0.6032 0.4539 -0.0232 0.055 Uiso 1 1 calc R U . . .
C11 C 0.7861(4) 0.4835(3) 0.0207(3) 0.0557(10) Uani 1 1 d . . . . .
H11 H 0.8216 0.5122 -0.0335 0.067 Uiso 1 1 calc R U . . .
C12 C 0.8642(4) 0.4772(3) 0.0928(3) 0.0583(11) Uani 1 1 d . . . . .
H12 H 0.9529 0.5014 0.0881 0.070 Uiso 1 1 calc R U . . .
C13 C 0.8126(3) 0.4354(3) 0.1724(3) 0.0427(9) Uani 1 1 d . . . . .
H13 H 0.8666 0.4322 0.2222 0.051 Uiso 1 1 calc R U . . .
C14 C 0.4969(2) 0.2193(2) 0.2615(2) 0.0264(7) Uani 1 1 d . . . . .
C15 C 0.5305(3) 0.1264(2) 0.2708(2) 0.0348(8) Uani 1 1 d . . . . .
H15 H 0.6142 0.1316 0.2899 0.042 Uiso 1 1 calc R U . . .
C16 C 0.4428(3) 0.0263(3) 0.2526(3) 0.0457(9) Uani 1 1 d . . . . .
H16 H 0.4673 -0.0358 0.2589 0.055 Uiso 1 1 calc R U . . .
C17 C 0.3196(3) 0.0175(3) 0.2252(3) 0.0427(9) Uani 1 1 d . . . . .
H17 H 0.2597 -0.0506 0.2131 0.051 Uiso 1 1 calc R U . . .
C18 C 0.2848(3) 0.1081(3) 0.2156(3) 0.0446(9) Uani 1 1 d . . . . .
H18 H 0.2006 0.1021 0.1971 0.054 Uiso 1 1 calc R U . . .
C19 C 0.3726(3) 0.2089(2) 0.2329(2) 0.0365(8) Uani 1 1 d . . . . .
H19 H 0.3477 0.2706 0.2252 0.044 Uiso 1 1 calc R U . . .
C20 C 0.5554(2) 0.8001(2) 0.3457(2) 0.0250(6) Uani 1 1 d . . . . .
C21 C 0.4986(3) 0.7969(3) 0.4275(2) 0.0373(8) Uani 1 1 d . . . . .
H21 H 0.4260 0.7391 0.4389 0.045 Uiso 1 1 calc R U . . .
C22 C 0.5472(3) 0.8775(3) 0.4926(3) 0.0518(10) Uani 1 1 d . . . . .
H22 H 0.5086 0.8742 0.5482 0.062 Uiso 1 1 calc R U . . .
C23 C 0.6520(3) 0.9624(3) 0.4755(3) 0.0498(10) Uani 1 1 d . . . . .
H23 H 0.6848 1.0178 0.5194 0.060 Uiso 1 1 calc R U . . .
C24 C 0.7097(3) 0.9673(2) 0.3949(3) 0.0386(8) Uani 1 1 d . . . . .
H24 H 0.7821 1.0256 0.3842 0.046 Uiso 1 1 calc R U . . .
C25 C 0.6620(3) 0.8872(2) 0.3294(2) 0.0309(7) Uani 1 1 d . . . . .
H25 H 0.7012 0.8913 0.2740 0.037 Uiso 1 1 calc R U . . .
C26 C 0.4854(3) 0.7510(2) 0.1569(2) 0.0338(7) Uani 1 1 d . . . . .
C27 C 0.5899(4) 0.7838(3) 0.1025(3) 0.0525(10) Uani 1 1 d . . . . .
H27 H 0.6664 0.7716 0.1205 0.063 Uiso 1 1 calc R U . . .
C28 C 0.5811(5) 0.8335(3) 0.0231(3) 0.0717(14) Uani 1 1 d . . . . .
H28 H 0.6524 0.8558 -0.0125 0.086 Uiso 1 1 calc R U . . .
C29 C 0.4730(7) 0.8514(3) -0.0053(3) 0.0853(17) Uani 1 1 d . . . . .
H29 H 0.4690 0.8854 -0.0603 0.102 Uiso 1 1 calc R U . . .
C30 C 0.3682(6) 0.8198(4) 0.0464(3) 0.0837(16) Uani 1 1 d . . . . .
H30 H 0.2927 0.8330 0.0270 0.100 Uiso 1 1 calc R U . . .
C31 C 0.3738(4) 0.7686(3) 0.1270(3) 0.0532(10) Uani 1 1 d . . . . .
H31 H 0.3015 0.7457 0.1615 0.064 Uiso 1 1 calc R U . . .
C32 C 0.8557(3) 0.2635(2) 0.5577(2) 0.0331(8) Uani 1 1 d . . . . .
C33 C 0.9144(3) 0.2212(3) 0.6362(2) 0.0347(8) Uani 1 1 d . . . . .
C34 C 0.9471(3) 0.2788(3) 0.7172(3) 0.0447(9) Uani 1 1 d . . . . .
H34 H 0.9300 0.3441 0.7245 0.054 Uiso 1 1 calc R U . . .
C35 C 1.0052(3) 0.2402(3) 0.7877(3) 0.0563(10) Uani 1 1 d . . . . .
H35 H 1.0287 0.2798 0.8425 0.068 Uiso 1 1 calc R U . . .
C36 C 1.0281(3) 0.1440(4) 0.7771(3) 0.0575(11) Uani 1 1 d . . . . .
H36 H 1.0671 0.1179 0.8251 0.069 Uiso 1 1 calc R U . . .
C37 C 0.9952(3) 0.0855(3) 0.6977(3) 0.0494(10) Uani 1 1 d . . . . .
H37 H 1.0110 0.0195 0.6913 0.059 Uiso 1 1 calc R U . . .
C38 C 0.9384(3) 0.1241(3) 0.6269(3) 0.0392(8) Uani 1 1 d . . . . .
H38 H 0.9159 0.0842 0.5722 0.047 Uiso 1 1 calc R U . . .
C39 C 0.8431(3) 0.6142(2) 0.8068(2) 0.0312(7) Uani 1 1 d . . . . .
C40 C 0.9391(3) 0.7182(3) 0.8429(2) 0.0349(8) Uani 1 1 d . . . . .
C41 C 1.0460(3) 0.7691(3) 0.7965(3) 0.0498(10) Uani 1 1 d . . . . .
H41 H 1.0611 0.7384 0.7422 0.060 Uiso 1 1 calc R U . . .
C42 C 1.1316(3) 0.8660(3) 0.8301(4) 0.0655(13) Uani 1 1 d . . . . .
H42 H 1.2035 0.9008 0.7978 0.079 Uiso 1 1 calc R U . . .
C43 C 1.1115(4) 0.9107(3) 0.9096(4) 0.0694(14) Uani 1 1 d . . . . .
H43 H 1.1698 0.9754 0.9326 0.083 Uiso 1 1 calc R U . . .
C44 C 1.0056(5) 0.8603(3) 0.9553(3) 0.0733(14) Uani 1 1 d . . . . .
H44 H 0.9915 0.8908 1.0100 0.088 Uiso 1 1 calc R U . . .
C45 C 0.9187(4) 0.7649(3) 0.9222(3) 0.0536(10) Uani 1 1 d . . . . .
H45 H 0.8457 0.7319 0.9540 0.064 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 O2 2.348(2) . ?
Ag1 P1 2.3535(8) . ?
Ag1 O5 2.355(2) . ?
Ag1 O1 2.515(2) . ?
Ag2 N2 2.332(3) . ?
Ag2 O3 2.335(2) . ?
Ag2 P2 2.3582(7) 2_666 ?
P1 C14 1.819(3) . ?
P1 C8 1.819(3) . ?
P1 C1 1.855(3) . ?
P2 C26 1.820(3) . ?
P2 C20 1.821(3) . ?
P2 C2 1.873(3) . ?
P2 Ag2 2.3582(7) 2_666 ?
O1 C32 1.267(4) . ?
O2 C32 1.254(4) . ?
O3 C39 1.270(4) . ?
O4 C39 1.240(3) . ?
O5 H5O1 0.8500 . ?
O5 H5O2 0.8500 . ?
N1 C3 1.392(4) . ?
N1 C2 1.442(4) . ?
N1 C1 1.465(3) . ?
N2 C6 1.337(4) . ?
N2 C7 1.340(4) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C3 C7 1.392(4) . ?
C3 C4 1.407(4) . ?
C4 C5 1.377(4) . ?
C4 H4 0.9400 . ?
C5 C6 1.366(4) . ?
C5 H5 0.9400 . ?
C6 H6 0.9400 . ?
C7 H7 0.9400 . ?
C8 C9 1.385(4) . ?
C8 C13 1.386(4) . ?
C9 C10 1.389(5) . ?
C9 H9 0.9400 . ?
C10 C11 1.374(5) . ?
C10 H10 0.9400 . ?
C11 C12 1.366(5) . ?
C11 H11 0.9400 . ?
C12 C13 1.378(5) . ?
C12 H12 0.9400 . ?
C13 H13 0.9400 . ?
C14 C15 1.387(4) . ?
C14 C19 1.390(4) . ?
C15 C16 1.381(4) . ?
C15 H15 0.9400 . ?
C16 C17 1.377(4) . ?
C16 H16 0.9400 . ?
C17 C18 1.368(5) . ?
C17 H17 0.9400 . ?
C18 C19 1.386(4) . ?
C18 H18 0.9400 . ?
C19 H19 0.9400 . ?
C20 C21 1.385(4) . ?
C20 C25 1.395(4) . ?
C21 C22 1.382(4) . ?
C21 H21 0.9400 . ?
C22 C23 1.371(5) . ?
C22 H22 0.9400 . ?
C23 C24 1.372(5) . ?
C23 H23 0.9400 . ?
C24 C25 1.380(4) . ?
C24 H24 0.9400 . ?
C25 H25 0.9400 . ?
C26 C31 1.383(4) . ?
C26 C27 1.399(5) . ?
C27 C28 1.368(5) . ?
C27 H27 0.9400 . ?
C28 C29 1.343(6) . ?
C28 H28 0.9400 . ?
C29 C30 1.375(7) . ?
C29 H29 0.9400 . ?
C30 C31 1.388(6) . ?
C30 H30 0.9400 . ?
C31 H31 0.9400 . ?
C32 C33 1.505(4) . ?
C33 C34 1.381(5) . ?
C33 C38 1.387(4) . ?
C34 C35 1.386(5) . ?
C34 H34 0.9400 . ?
C35 C36 1.372(5) . ?
C35 H35 0.9400 . ?
C36 C37 1.366(5) . ?
C36 H36 0.9400 . ?
C37 C38 1.382(5) . ?
C37 H37 0.9400 . ?
C38 H38 0.9400 . ?
C39 C40 1.517(4) . ?
C40 C45 1.377(5) . ?
C40 C41 1.382(5) . ?
C41 C42 1.396(5) . ?
C41 H41 0.9400 . ?
C42 C43 1.366(6) . ?
C42 H42 0.9400 . ?
C43 C44 1.366(6) . ?
C43 H43 0.9400 . ?
C44 C45 1.386(5) . ?
C44 H44 0.9400 . ?
C45 H45 0.9400 . ?

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
O2 Ag1 P1 141.03(6) . . ?
O2 Ag1 O5 91.79(9) . . ?
P1 Ag1 O5 117.98(7) . . ?
O2 Ag1 O1 53.86(8) . . ?
P1 Ag1 O1 146.42(5) . . ?
O5 Ag1 O1 83.62(8) . . ?
N2 Ag2 O3 88.52(8) . . ?
N2 Ag2 P2 127.44(6) . 2_666 ?
O3 Ag2 P2 135.87(6) . 2_666 ?
C14 P1 C8 106.07(13) . . ?
C14 P1 C1 104.01(12) . . ?
C8 P1 C1 101.21(14) . . ?
C14 P1 Ag1 113.95(10) . . ?
C8 P1 Ag1 116.08(10) . . ?
C1 P1 Ag1 114.04(10) . . ?
C26 P2 C20 104.56(13) . . ?
C26 P2 C2 103.21(15) . . ?
C20 P2 C2 105.14(13) . . ?
C26 P2 Ag2 119.63(10) . 2_666 ?
C20 P2 Ag2 112.66(10) . 2_666 ?
C2 P2 Ag2 110.33(9) . 2_666 ?
C32 O1 Ag1 87.9(2) . . ?
C32 O2 Ag1 95.92(19) . . ?
C39 O3 Ag2 104.30(17) . . ?
Ag1 O5 H5O1 129.8 . . ?
Ag1 O5 H5O2 141.4 . . ?
H5O1 O5 H5O2 88.2 . . ?
C3 N1 C2 121.9(2) . . ?
C3 N1 C1 120.7(3) . . ?
C2 N1 C1 116.6(2) . . ?
C6 N2 C7 117.8(3) . . ?
C6 N2 Ag2 120.4(2) . . ?
C7 N2 Ag2 121.70(19) . . ?
N1 C1 P1 110.24(18) . . ?
N1 C1 H1A 109.6 . . ?
P1 C1 H1A 109.6 . . ?
N1 C1 H1B 109.6 . . ?
P1 C1 H1B 109.6 . . ?
H1A C1 H1B 108.1 . . ?
N1 C2 P2 112.55(19) . . ?
N1 C2 H2A 109.1 . . ?
P2 C2 H2A 109.1 . . ?
N1 C2 H2B 109.1 . . ?
P2 C2 H2B 109.1 . . ?
H2A C2 H2B 107.8 . . ?
N1 C3 C7 122.4(3) . . ?
N1 C3 C4 121.3(3) . . ?
C7 C3 C4 116.3(3) . . ?
C5 C4 C3 119.0(3) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
C6 C5 C4 120.2(3) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
N2 C6 C5 122.3(3) . . ?
N2 C6 H6 118.9 . . ?
C5 C6 H6 118.9 . . ?
N2 C7 C3 124.3(3) . . ?
N2 C7 H7 117.9 . . ?
C3 C7 H7 117.9 . . ?
C9 C8 C13 118.8(3) . . ?
C9 C8 P1 122.2(2) . . ?
C13 C8 P1 118.9(2) . . ?
C8 C9 C10 120.2(3) . . ?
C8 C9 H9 119.9 . . ?
C10 C9 H9 119.9 . . ?
C11 C10 C9 119.6(3) . . ?
C11 C10 H10 120.2 . . ?
C9 C10 H10 120.2 . . ?
C12 C11 C10 120.8(4) . . ?
C12 C11 H11 119.6 . . ?
C10 C11 H11 119.6 . . ?
C11 C12 C13 119.8(4) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
C12 C13 C8 120.8(3) . . ?
C12 C13 H13 119.6 . . ?
C8 C13 H13 119.6 . . ?
C15 C14 C19 118.1(3) . . ?
C15 C14 P1 117.7(2) . . ?
C19 C14 P1 124.2(2) . . ?
C16 C15 C14 121.1(3) . . ?
C16 C15 H15 119.4 . . ?
C14 C15 H15 119.4 . . ?
C17 C16 C15 120.0(3) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C18 C17 C16 119.7(3) . . ?
C18 C17 H17 120.2 . . ?
C16 C17 H17 120.2 . . ?
C17 C18 C19 120.6(3) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 H18 119.7 . . ?
C18 C19 C14 120.5(3) . . ?
C18 C19 H19 119.8 . . ?
C14 C19 H19 119.8 . . ?
C21 C20 C25 118.8(3) . . ?
C21 C20 P2 117.7(2) . . ?
C25 C20 P2 123.5(2) . . ?
C22 C21 C20 120.9(3) . . ?
C22 C21 H21 119.5 . . ?
C20 C21 H21 119.5 . . ?
C23 C22 C21 119.5(3) . . ?
C23 C22 H22 120.3 . . ?
C21 C22 H22 120.3 . . ?
C22 C23 C24 120.6(3) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C23 C24 C25 120.4(3) . . ?
C23 C24 H24 119.8 . . ?
C25 C24 H24 119.8 . . ?
C24 C25 C20 119.8(3) . . ?
C24 C25 H25 120.1 . . ?
C20 C25 H25 120.1 . . ?
C31 C26 C27 118.1(3) . . ?
C31 C26 P2 117.7(3) . . ?
C27 C26 P2 124.2(3) . . ?
C28 C27 C26 120.2(4) . . ?
C28 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C29 C28 C27 121.6(5) . . ?
C29 C28 H28 119.2 . . ?
C27 C28 H28 119.2 . . ?
C28 C29 C30 119.8(4) . . ?
C28 C29 H29 120.1 . . ?
C30 C29 H29 120.1 . . ?
C29 C30 C31 120.1(5) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 H30 120.0 . . ?
C26 C31 C30 120.3(4) . . ?
C26 C31 H31 119.8 . . ?
C30 C31 H31 119.8 . . ?
O2 C32 O1 122.2(3) . . ?
O2 C32 C33 118.4(3) . . ?
O1 C32 C33 119.5(3) . . ?
C34 C33 C38 119.3(3) . . ?
C34 C33 C32 120.9(3) . . ?
C38 C33 C32 119.8(3) . . ?
C33 C34 C35 120.0(4) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C36 C35 C34 119.7(4) . . ?
C36 C35 H35 120.1 . . ?
C34 C35 H35 120.1 . . ?
C37 C36 C35 121.0(4) . . ?
C37 C36 H36 119.5 . . ?
C35 C36 H36 119.5 . . ?
C36 C37 C38 119.6(4) . . ?
C36 C37 H37 120.2 . . ?
C38 C37 H37 120.2 . . ?
C37 C38 C33 120.4(4) . . ?
C37 C38 H38 119.8 . . ?
C33 C38 H38 119.8 . . ?
O4 C39 O3 125.0(3) . . ?
O4 C39 C40 118.5(3) . . ?
O3 C39 C40 116.5(3) . . ?
C45 C40 C41 118.9(3) . . ?
C45 C40 C39 119.9(3) . . ?
C41 C40 C39 121.2(3) . . ?
C40 C41 C42 120.2(4) . . ?
C40 C41 H41 119.9 . . ?
C42 C41 H41 119.9 . . ?
C43 C42 C41 120.4(4) . . ?
C43 C42 H42 119.8 . . ?
C41 C42 H42 119.8 . . ?
C44 C43 C42 119.3(4) . . ?
C44 C43 H43 120.4 . . ?
C42 C43 H43 120.4 . . ?
C43 C44 C45 121.0(4) . . ?
C43 C44 H44 119.5 . . ?
C45 C44 H44 119.5 . . ?
C40 C45 C44 120.2(4) . . ?
C40 C45 H45 119.9 . . ?
C44 C45 H45 119.9 . . ?

_refine_diff_density_max         0.632
_refine_diff_density_min         -0.570
_refine_diff_density_rms         0.092

_shelxl_version_number           2013-2

####################################################################### 
# 
# 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_5
_database_code_depnum_ccdc_archive 'CCDC 1450957'
_audit_update_record             
;
2016-01-31 deposited with the CCDC.
2016-05-03 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C90 H76 Ag4 N4 O8 P4'
_chemical_formula_sum            'C90 H76 Ag4 N4 O8 P4'
_chemical_formula_weight         1896.90

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

_cell_length_a                   10.0870(2)
_cell_length_b                   14.2880(4)
_cell_length_c                   29.0022(9)
_cell_angle_alpha                90
_cell_angle_beta                 92.912(2)
_cell_angle_gamma                90
_cell_volume                     4174.49(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    9218
_cell_measurement_theta_min      2.9060
_cell_measurement_theta_max      29.2400

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.509
_exptl_crystal_F_000             1912
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    1.059
_shelx_estimated_absorpt_T_min   0.778
_shelx_estimated_absorpt_T_max   0.816
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.84175
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      223(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_detector_area_resol_mean 10.4471
_diffrn_reflns_number            30575
_diffrn_reflns_av_unetI/netI     0.0514
_diffrn_reflns_av_R_equivalents  0.0383
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_theta_min         2.795
_diffrn_reflns_theta_max         30.379
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.866
_diffrn_measured_fraction_theta_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.866
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.866
_diffrn_reflns_point_group_measured_fraction_full 0.987
_reflns_number_total             10909
_reflns_number_gt                7459
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'SHELXL-2013 (Sheldrick, 2013)'
_computing_publication_material  ?

_refine_special_details          
;
 A benzolate anion and two phenyl groups were disordered over two 
 sites with occupancies 0.7/0.3 for O1-C38/O1A-C38A, C20-C25/C20A-C25A
 and C26-C31/C26A-C31A. The other benzolate anion and a phenyl group
 were disordered over three sites with occupancies 0.4/0.3/0.3
 for O3-C45/O3A-C45A/O3B-C45B and C14-C19/C14A-C19A/C14B-C19B. All 
 disordered atoms were refined isotropically.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0797P)²+12.2355P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10909
_refine_ls_number_parameters     484
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.1001
_refine_ls_R_factor_gt           0.0659
_refine_ls_wR_factor_ref         0.1911
_refine_ls_wR_factor_gt          0.1681
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.57171(4) 0.60578(3) 0.45138(2) 0.04697(14) Uani 1 1 d . . . . .
Ag2 Ag 0.76233(4) 0.48093(3) 0.58787(2) 0.04619(14) Uani 1 1 d . . . . .
P1 P 0.74669(12) 0.65327(9) 0.40403(4) 0.0323(3) Uani 1 1 d . . . . .
P2 P 1.11714(16) 0.42405(11) 0.35992(6) 0.0476(4) Uani 1 1 d . . . . .
N1 N 0.8901(5) 0.4870(4) 0.40287(19) 0.0494(13) Uani 1 1 d . . . . .
N2 N 0.8138(5) 0.4123(3) 0.51934(19) 0.0493(13) Uani 1 1 d . . . . .
C1 C 0.9051(5) 0.5864(4) 0.4102(2) 0.0418(12) Uani 1 1 d . . . . .
H1A H 0.9666 0.6109 0.3881 0.050 Uiso 1 1 calc R U . . .
H1B H 0.9451 0.5968 0.4413 0.050 Uiso 1 1 calc R U . . .
C2 C 0.9344(6) 0.4493(5) 0.3597(2) 0.062(2) Uani 1 1 d . . . . .
H2A H 0.9118 0.4940 0.3349 0.075 Uiso 1 1 calc R U . . .
H2B H 0.8857 0.3913 0.3526 0.075 Uiso 1 1 calc R U . . .
C3 C 0.8711(5) 0.4297(4) 0.4401(2) 0.0443(14) Uani 1 1 d . . . . .
C4 C 0.8851(6) 0.3310(5) 0.4379(3) 0.065(2) Uani 1 1 d . . . . .
H4 H 0.9074 0.3021 0.4103 0.078 Uiso 1 1 calc R U . . .
C5 C 0.8660(7) 0.2784(5) 0.4765(4) 0.075(2) Uani 1 1 d . . . . .
H5 H 0.8770 0.2131 0.4755 0.089 Uiso 1 1 calc R U . . .
C6 C 0.8312(7) 0.3200(4) 0.5160(3) 0.064(2) Uani 1 1 d . . . . .
H6 H 0.8189 0.2826 0.5421 0.077 Uiso 1 1 calc R U . . .
C7 C 0.8343(5) 0.4643(4) 0.4828(2) 0.0434(13) Uani 1 1 d . . . . .
H7 H 0.8233 0.5293 0.4856 0.052 Uiso 1 1 calc R U . . .
C8 C 0.7110(5) 0.6552(4) 0.34186(19) 0.0426(12) Uani 1 1 d . . . . .
C9 C 0.5810(7) 0.6471(5) 0.3257(3) 0.0621(19) Uani 1 1 d . . . . .
H9 H 0.5138 0.6385 0.3467 0.075 Uiso 1 1 calc R U . . .
C10 C 0.5484(10) 0.6515(7) 0.2785(3) 0.098(3) Uani 1 1 d . . . . .
H10 H 0.4592 0.6458 0.2678 0.118 Uiso 1 1 calc R U . . .
C11 C 0.6419(13) 0.6637(9) 0.2485(3) 0.118(4) Uani 1 1 d . . . . .
H11 H 0.6186 0.6705 0.2169 0.142 Uiso 1 1 calc R U . . .
C12 C 0.7731(13) 0.6663(12) 0.2639(3) 0.143(6) Uani 1 1 d . . . . .
H12 H 0.8395 0.6685 0.2424 0.171 Uiso 1 1 calc R U . . .
C13 C 0.8090(9) 0.6658(8) 0.3103(2) 0.094(3) Uani 1 1 d . . . . .
H13 H 0.8984 0.6724 0.3205 0.113 Uiso 1 1 calc R U . . .
C14 C 0.8078(5) 0.7701(4) 0.41866(18) 0.0377(11) Uiso 0.4 1 d D . P A 1
C15 C 0.767(2) 0.8134(13) 0.4564(7) 0.055(4) Uiso 0.4 1 d D . P A 1
H15 H 0.7023 0.7858 0.4743 0.066 Uiso 0.4 1 calc R U P A 1
C16 C 0.821(2) 0.8995(15) 0.4686(8) 0.074(6) Uiso 0.4 1 d D . P A 1
H16 H 0.7908 0.9311 0.4945 0.089 Uiso 0.4 1 calc R U P A 1
C17 C 0.9174(14) 0.9393(9) 0.4439(4) 0.069(3) Uiso 0.4 1 d D . P A 1
H17 H 0.9548 0.9970 0.4530 0.083 Uiso 0.4 1 calc R U P A 1
C18 C 0.962(2) 0.8908(13) 0.4029(7) 0.063(5) Uiso 0.4 1 d D . P A 1
H18 H 1.0257 0.9181 0.3846 0.076 Uiso 0.4 1 calc R U P A 1
C19 C 0.9097(18) 0.8065(12) 0.3919(7) 0.053(4) Uiso 0.4 1 d D . P A 1
H19 H 0.9404 0.7723 0.3669 0.064 Uiso 0.4 1 calc R U P A 1
C14A C 0.8078(5) 0.7701(4) 0.41866(18) 0.0377(11) Uiso 0.3 1 d D . P A 2
C15A C 0.8095(19) 0.7944(13) 0.4650(6) 0.035(4) Uiso 0.3 1 d D . P A 2
H15A H 0.7724 0.7541 0.4865 0.042 Uiso 0.3 1 calc R U P A 2
C16A C 0.867(2) 0.8791(13) 0.4795(7) 0.041(4) Uiso 0.3 1 d D . P A 2
H16A H 0.8719 0.8964 0.5108 0.049 Uiso 0.3 1 calc R U P A 2
C17A C 0.9174(14) 0.9393(9) 0.4439(4) 0.069(3) Uiso 0.3 1 d D . P A 2
H17A H 0.9664 0.9930 0.4524 0.083 Uiso 0.3 1 calc R U P A 2
C18A C 0.896(3) 0.9195(17) 0.4012(8) 0.062(6) Uiso 0.3 1 d D . P A 2
H18A H 0.9112 0.9656 0.3790 0.075 Uiso 0.3 1 calc R U P A 2
C19A C 0.851(2) 0.8341(15) 0.3868(8) 0.056(5) Uiso 0.3 1 d D . P A 2
H19A H 0.8495 0.8184 0.3553 0.067 Uiso 0.3 1 calc R U P A 2
C14B C 0.8078(5) 0.7701(4) 0.41866(18) 0.0377(11) Uiso 0.3 1 d D . P A 3
C15B C 0.717(2) 0.8334(15) 0.4399(8) 0.055(5) Uiso 0.3 1 d D . P A 3
H15B H 0.6315 0.8101 0.4450 0.066 Uiso 0.3 1 calc R U P A 3
C16B C 0.742(3) 0.9242(19) 0.4533(11) 0.080(8) Uiso 0.3 1 d D . P A 3
H16B H 0.6779 0.9602 0.4674 0.096 Uiso 0.3 1 calc R U P A 3
C17B C 0.862(2) 0.9599(17) 0.4456(8) 0.054(6) Uiso 0.3 1 d D . P A 3
H17B H 0.8826 1.0217 0.4546 0.065 Uiso 0.3 1 calc R U P A 3
C18B C 0.957(2) 0.9051(14) 0.4241(9) 0.046(5) Uiso 0.3 1 d D . P A 3
H18B H 1.0405 0.9305 0.4185 0.055 Uiso 0.3 1 calc R U P A 3
C19B C 0.9277(18) 0.8138(13) 0.4113(8) 0.040(4) Uiso 0.3 1 d D . P A 3
H19B H 0.9930 0.7794 0.3966 0.048 Uiso 0.3 1 calc R U P A 3
C20 C 1.1340(8) 0.2959(6) 0.3714(3) 0.0344(17) Uiso 0.7 1 d . . P B 1
C21 C 1.0634(9) 0.2283(6) 0.3446(3) 0.0439(19) Uiso 0.7 1 d . . P B 1
H21 H 1.0031 0.2476 0.3207 0.053 Uiso 0.7 1 calc R U P B 1
C22 C 1.0824(10) 0.1320(7) 0.3533(4) 0.0449(19) Uiso 0.7 1 d . . P B 1
H22 H 1.0354 0.0869 0.3354 0.054 Uiso 0.7 1 calc R U P B 1
C23 C 1.1700(10) 0.1057(8) 0.3881(4) 0.058(2) Uiso 0.7 1 d . . P B 1
H23 H 1.1864 0.0418 0.3934 0.069 Uiso 0.7 1 calc R U P B 1
C24 C 1.2349(11) 0.1709(8) 0.4157(4) 0.063(3) Uiso 0.7 1 d . . P B 1
H24 H 1.2903 0.1515 0.4410 0.076 Uiso 0.7 1 calc R U P B 1
C25 C 1.2189(9) 0.2641(6) 0.4064(3) 0.0461(19) Uiso 0.7 1 d . . P B 1
H25 H 1.2677 0.3079 0.4245 0.055 Uiso 0.7 1 calc R U P B 1
C20A C 1.1188(18) 0.3033(13) 0.3543(7) 0.036(4) Uiso 0.3 1 d . . P B 2
C21A C 1.039(2) 0.2518(15) 0.3282(8) 0.047(5) Uiso 0.3 1 d . . P B 2
H21A H 0.9819 0.2793 0.3055 0.057 Uiso 0.3 1 calc R U P B 2
C22A C 1.041(2) 0.1546(17) 0.3346(9) 0.054(5) Uiso 0.3 1 d . . P B 2
H22A H 0.9784 0.1172 0.3179 0.065 Uiso 0.3 1 calc R U P B 2
C23A C 1.135(3) 0.1117(19) 0.3660(10) 0.058(6) Uiso 0.3 1 d . . P B 2
H23A H 1.1324 0.0463 0.3695 0.069 Uiso 0.3 1 calc R U P B 2
C24A C 1.232(2) 0.1629(17) 0.3922(9) 0.057(6) Uiso 0.3 1 d . . P B 2
H24A H 1.2996 0.1367 0.4119 0.068 Uiso 0.3 1 calc R U P B 2
C25A C 1.213(2) 0.2611(14) 0.3840(8) 0.042(4) Uiso 0.3 1 d . . P B 2
H25A H 1.2704 0.3017 0.4009 0.050 Uiso 0.3 1 calc R U P B 2
C26 C 1.1699(10) 0.4498(7) 0.3010(3) 0.048(2) Uiso 0.7 1 d . . P B 1
C27 C 1.1532(10) 0.5410(7) 0.2825(3) 0.058(2) Uiso 0.7 1 d . . P B 1
H27 H 1.1175 0.5885 0.3006 0.069 Uiso 0.7 1 calc R U P B 1
C28 C 1.1891(10) 0.5612(8) 0.2378(4) 0.066(3) Uiso 0.7 1 d . . P B 1
H28 H 1.1745 0.6214 0.2254 0.080 Uiso 0.7 1 calc R U P B 1
C29 C 1.2456(13) 0.4932(9) 0.2120(5) 0.079(3) Uiso 0.7 1 d . . P B 1
H29 H 1.2671 0.5056 0.1815 0.095 Uiso 0.7 1 calc R U P B 1
C30 C 1.2698(13) 0.4091(10) 0.2306(5) 0.079(3) Uiso 0.7 1 d . . P B 1
H30 H 1.3121 0.3639 0.2130 0.095 Uiso 0.7 1 calc R U P B 1
C31 C 1.2350(12) 0.3857(9) 0.2750(4) 0.072(3) Uiso 0.7 1 d . . P B 1
H31 H 1.2560 0.3262 0.2871 0.087 Uiso 0.7 1 calc R U P B 1
C26A C 1.1183(18) 0.4242(13) 0.2979(6) 0.034(4) Uiso 0.3 1 d . . P B 2
C27A C 1.0258(17) 0.4102(12) 0.2627(6) 0.037(4) Uiso 0.3 1 d . . P B 2
H27A H 0.9392 0.3935 0.2700 0.045 Uiso 0.3 1 calc R U P B 2
C28A C 1.0537(19) 0.4195(13) 0.2177(7) 0.043(4) Uiso 0.3 1 d . . P B 2
H28A H 0.9861 0.4109 0.1945 0.052 Uiso 0.3 1 calc R U P B 2
C29A C 1.179(2) 0.4411(16) 0.2057(8) 0.052(5) Uiso 0.3 1 d . . P B 2
H29A H 1.1967 0.4426 0.1742 0.062 Uiso 0.3 1 calc R U P B 2
C30A C 1.285(3) 0.462(2) 0.2388(10) 0.068(6) Uiso 0.3 1 d . . P B 2
H30A H 1.3696 0.4802 0.2302 0.081 Uiso 0.3 1 calc R U P B 2
C31A C 1.2533(19) 0.4519(14) 0.2856(7) 0.042(4) Uiso 0.3 1 d . . P B 2
H31A H 1.3189 0.4632 0.3091 0.050 Uiso 0.3 1 calc R U P B 2
O2 O 0.5552(5) 0.5367(4) 0.5432(2) 0.0403(13) Uiso 0.7 1 d . . P C 1
O1 O 0.4911(8) 0.6724(6) 0.5145(3) 0.047(2) Uiso 0.7 1 d . . P C 1
C32 C 0.5063(8) 0.6181(6) 0.5473(3) 0.0311(19) Uiso 0.7 1 d . . P C 1
C33 C 0.4603(9) 0.6455(7) 0.5935(3) 0.043(2) Uiso 0.7 1 d . . P C 1
C34 C 0.4632(10) 0.5837(7) 0.6303(3) 0.055(2) Uiso 0.7 1 d . . P C 1
H34 H 0.4948 0.5224 0.6264 0.066 Uiso 0.7 1 calc R U P C 1
C35 C 0.4193(12) 0.6117(9) 0.6736(4) 0.074(3) Uiso 0.7 1 d . . P C 1
H35B H 0.4222 0.5690 0.6983 0.088 Uiso 0.7 1 calc R U P C 1
C36 C 0.3708(12) 0.7037(10) 0.6804(4) 0.068(3) Uiso 0.7 1 d . . P C 1
H36 H 0.3371 0.7211 0.7088 0.082 Uiso 0.7 1 calc R U P C 1
C37 C 0.3736(11) 0.7642(9) 0.6462(4) 0.069(3) Uiso 0.7 1 d . . P C 1
H37 H 0.3468 0.8264 0.6507 0.083 Uiso 0.7 1 calc R U P C 1
C38 C 0.4176(11) 0.7356(9) 0.6020(4) 0.057(3) Uiso 0.7 1 d . . P C 1
H38 H 0.4173 0.7797 0.5780 0.068 Uiso 0.7 1 calc R U P C 1
O2A O 0.5418(11) 0.5375(8) 0.5639(5) 0.031(2) Uiso 0.3 1 d . . P C 2
O1A O 0.5148(18) 0.6719(12) 0.5234(6) 0.039(5) Uiso 0.3 1 d . . P C 2
C32A C 0.4995(18) 0.6219(13) 0.5622(8) 0.029(4) Uiso 0.3 1 d . . P C 2
C33A C 0.4470(13) 0.6689(9) 0.5987(4) 0.024(4) Uiso 0.3 1 d G . P C 2
C34A C 0.4320(14) 0.6198(8) 0.6394(5) 0.048(5) Uiso 0.3 1 d G . P C 2
H34A H 0.4576 0.5567 0.6416 0.058 Uiso 0.3 1 calc R U P C 2
C35A C 0.3791(16) 0.6641(12) 0.6770(4) 0.056(6) Uiso 0.3 1 d G . P C 2
H35A H 0.3689 0.6309 0.7046 0.067 Uiso 0.3 1 calc R U P C 2
C36A C 0.3412(16) 0.7575(12) 0.6738(4) 0.062(6) Uiso 0.3 1 d G . P C 2
H36A H 0.3054 0.7875 0.6992 0.075 Uiso 0.3 1 calc R U P C 2
C37A C 0.3562(15) 0.8066(8) 0.6330(5) 0.055(5) Uiso 0.3 1 d G . P C 2
H37A H 0.3305 0.8698 0.6309 0.065 Uiso 0.3 1 calc R U P C 2
C38A C 0.4091(15) 0.7623(9) 0.5954(4) 0.043(5) Uiso 0.3 1 d G . P C 2
H38A H 0.4192 0.7955 0.5679 0.051 Uiso 0.3 1 calc R U P C 2
O3 O 0.6496(10) 0.3392(7) 0.5856(4) 0.044(2) Uiso 0.4 1 d . . P C 1
O4 O 0.790(2) 0.2868(11) 0.6395(6) 0.062(4) Uiso 0.4 1 d . . P C 1
C39 C 0.6974(14) 0.2763(10) 0.6111(6) 0.040(3) Uiso 0.4 1 d . . P C 1
C40 C 0.6323(16) 0.1820(11) 0.6025(5) 0.049(3) Uiso 0.4 1 d . . P C 1
C41 C 0.616(2) 0.1271(16) 0.6426(8) 0.076(5) Uiso 0.4 1 d . . P C 1
H41 H 0.6487 0.1458 0.6721 0.092 Uiso 0.4 1 calc R U P C 1
C42 C 0.544(2) 0.0377(17) 0.6342(8) 0.074(5) Uiso 0.4 1 d . . P C 1
H42 H 0.5228 -0.0013 0.6589 0.089 Uiso 0.4 1 calc R U P C 1
C43 C 0.509(3) 0.014(2) 0.5904(10) 0.105(8) Uiso 0.4 1 d . . P C 1
H43 H 0.4667 -0.0441 0.5852 0.126 Uiso 0.4 1 calc R U P C 1
C44 C 0.531(3) 0.0680(19) 0.5531(10) 0.101(7) Uiso 0.4 1 d . . P C 1
H44 H 0.5008 0.0478 0.5236 0.121 Uiso 0.4 1 calc R U P C 1
C45 C 0.595(2) 0.1489(15) 0.5576(7) 0.073(5) Uiso 0.4 1 d . . P C 1
H45 H 0.6148 0.1838 0.5314 0.088 Uiso 0.4 1 calc R U P C 1
O3A O 0.6417(12) 0.3486(8) 0.6076(5) 0.033(3) Uiso 0.3 1 d . . P C 2
O4A O 0.8365(18) 0.3046(13) 0.6402(6) 0.048(4) Uiso 0.3 1 d . . P C 2
C39A C 0.717(2) 0.2922(14) 0.6306(7) 0.035(4) Uiso 0.3 1 d . . P C 2
C40A C 0.6562(16) 0.1975(12) 0.6415(6) 0.035(3) Uiso 0.3 1 d . . P C 2
C41A C 0.713(2) 0.1510(16) 0.6811(8) 0.056(5) Uiso 0.3 1 d . . P C 2
H41A H 0.7867 0.1773 0.6974 0.067 Uiso 0.3 1 calc R U P C 2
C42A C 0.658(2) 0.064(2) 0.6963(12) 0.060(7) Uiso 0.3 1 d . . P C 2
H42A H 0.6893 0.0324 0.7232 0.072 Uiso 0.3 1 calc R U P C 2
C43A C 0.558(3) 0.032(2) 0.6679(10) 0.074(7) Uiso 0.3 1 d . . P C 2
H43A H 0.5301 -0.0290 0.6735 0.089 Uiso 0.3 1 calc R U P C 2
C44A C 0.492(4) 0.077(3) 0.6320(14) 0.103(11) Uiso 0.3 1 d . . P C 2
H44A H 0.4104 0.0552 0.6188 0.123 Uiso 0.3 1 calc R U P C 2
C45A C 0.554(2) 0.1602(16) 0.6159(8) 0.055(5) Uiso 0.3 1 d . . P C 2
H45A H 0.5240 0.1883 0.5880 0.066 Uiso 0.3 1 calc R U P C 2
O3B O 0.6893(16) 0.3444(11) 0.6261(5) 0.047(3) Uiso 0.3 1 d . . P C 3
O4B O 0.8890(13) 0.3573(10) 0.6617(5) 0.047(3) Uiso 0.3 1 d . . P C 3
C39B C 0.789(2) 0.3192(14) 0.6550(7) 0.037(4) Uiso 0.3 1 d . . P C 3
C40B C 0.7666(13) 0.2244(7) 0.6774(5) 0.044(4) Uiso 0.3 1 d G . P C 3
C41B C 0.8698(11) 0.1924(8) 0.7068(5) 0.051(5) Uiso 0.3 1 d G . P C 3
H41B H 0.9431 0.2312 0.7141 0.061 Uiso 0.3 1 calc R U P C 3
C42B C 0.8646(12) 0.1029(9) 0.7255(4) 0.043(4) Uiso 0.3 1 d G . P C 3
H42B H 0.9344 0.0812 0.7454 0.051 Uiso 0.3 1 calc R U P C 3
C43B C 0.7562(15) 0.0455(8) 0.7146(6) 0.073(7) Uiso 0.3 1 d G . P C 3
H43B H 0.7527 -0.0150 0.7272 0.087 Uiso 0.3 1 calc R U P C 3
C44B C 0.6530(13) 0.0775(10) 0.6852(6) 0.066(10) Uiso 0.3 1 d G . P C 3
H44B H 0.5797 0.0387 0.6779 0.080 Uiso 0.3 1 calc R U P C 3
C45B C 0.6582(12) 0.1670(10) 0.6665(5) 0.047(5) Uiso 0.3 1 d G . P C 3
H45B H 0.5884 0.1886 0.6466 0.057 Uiso 0.3 1 calc R U P C 3


_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 O1 2.252(8) . ?
Ag1 O2A 2.376(12) 3_666 ?
Ag1 P1 2.3893(14) . ?
Ag1 O1A 2.389(18) . ?
Ag1 O2 2.415(6) 3_666 ?
Ag1 O3 2.551(10) 3_666 ?
Ag2 N2 2.299(6) . ?
Ag2 O3 2.322(10) . ?
Ag2 P2 2.3297(17) 3_766 ?
Ag2 O3A 2.336(12) . ?
Ag2 O3B 2.379(15) . ?
Ag2 O2A 2.434(11) . ?
Ag2 O2 2.530(6) . ?
P1 C8 1.821(6) . ?
P1 C14 1.822(5) . ?
P1 C1 1.863(5) . ?
P2 C20A 1.733(19) . ?
P2 C26A 1.800(17) . ?
P2 C26 1.852(10) . ?
P2 C20 1.867(8) . ?
P2 C2 1.878(6) . ?
P2 Ag2 2.3298(17) 3_766 ?
N1 C3 1.377(8) . ?
N1 C1 1.443(7) . ?
N1 C2 1.454(8) . ?
N2 C7 1.319(8) . ?
N2 C6 1.335(8) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C3 C7 1.399(8) . ?
C3 C4 1.419(8) . ?
C4 C5 1.369(12) . ?
C4 H4 0.9400 . ?
C5 C6 1.354(12) . ?
C5 H5 0.9400 . ?
C6 H6 0.9400 . ?
C7 H7 0.9400 . ?
C8 C9 1.374(8) . ?
C8 C13 1.389(10) . ?
C9 C10 1.394(11) . ?
C9 H9 0.9400 . ?
C10 C11 1.327(15) . ?
C10 H10 0.9400 . ?
C11 C12 1.376(16) . ?
C11 H11 0.9400 . ?
C12 C13 1.375(11) . ?
C12 H12 0.9400 . ?
C13 H13 0.9400 . ?
C14 C15 1.340(17) . ?
C14 C19 1.417(17) . ?
C15 C16 1.39(2) . ?
C15 H15 0.9400 . ?
C16 C17 1.36(2) . ?
C16 H16 0.9400 . ?
C17 C18 1.47(2) . ?
C17 H17 0.9400 . ?
C18 C19 1.35(2) . ?
C18 H18 0.9400 . ?
C19 H19 0.9400 . ?
C15A C16A 1.40(2) . ?
C15A H15A 0.9400 . ?
C16A H16A 0.9400 . ?
C18A C19A 1.36(3) . ?
C18A H18A 0.9400 . ?
C19A H19A 0.9400 . ?
C15B C16B 1.38(3) . ?
C15B H15B 0.9400 . ?
C16B C17B 1.34(3) . ?
C16B H16B 0.9400 . ?
C17B C18B 1.41(3) . ?
C17B H17B 0.9400 . ?
C18B C19B 1.38(2) . ?
C18B H18B 0.9400 . ?
C19B H19B 0.9400 . ?
C20 C25 1.371(13) . ?
C20 C21 1.410(12) . ?
C21 C22 1.410(13) . ?
C21 H21 0.9400 . ?
C22 C23 1.360(14) . ?
C22 H22 0.9400 . ?
C23 C24 1.373(16) . ?
C23 H23 0.9400 . ?
C24 C25 1.367(14) . ?
C24 H24 0.9400 . ?
C25 H25 0.9400 . ?
C20A C21A 1.30(3) . ?
C20A C25A 1.39(3) . ?
C21A C22A 1.40(3) . ?
C21A H21A 0.9400 . ?
C22A C23A 1.42(4) . ?
C22A H22A 0.9400 . ?
C23A C24A 1.42(4) . ?
C23A H23A 0.9400 . ?
C24A C25A 1.44(3) . ?
C24A H24A 0.9400 . ?
C25A H25A 0.9400 . ?
C26 C31 1.376(15) . ?
C26 C27 1.415(13) . ?
C27 C28 1.395(14) . ?
C27 H27 0.9400 . ?
C28 C29 1.368(16) . ?
C28 H28 0.9400 . ?
C29 C30 1.335(19) . ?
C29 H29 0.9400 . ?
C30 C31 1.391(17) . ?
C30 H30 0.9400 . ?
C31 H31 0.9400 . ?
C26A C27A 1.36(2) . ?
C26A C31A 1.48(3) . ?
C27A C28A 1.36(3) . ?
C27A H27A 0.9400 . ?
C28A C29A 1.36(3) . ?
C28A H28A 0.9400 . ?
C29A C30A 1.43(4) . ?
C29A H29A 0.9400 . ?
C30A C31A 1.42(3) . ?
C30A H30A 0.9400 . ?
C31A H31A 0.9400 . ?
O2 C32 1.271(10) . ?
O2 Ag1 2.415(6) 3_666 ?
O1 C32 1.229(12) . ?
C32 C33 1.494(13) . ?
C33 C34 1.384(13) . ?
C33 C38 1.384(15) . ?
C34 C35 1.412(16) . ?
C34 H34 0.9400 . ?
C35 C36 1.419(17) . ?
C35 H35B 0.9400 . ?
C36 C37 1.316(16) . ?
C36 H36 0.9400 . ?
C37 C38 1.436(15) . ?
C37 H37 0.9400 . ?
C38 H38 0.9400 . ?
O2A C32A 1.28(2) . ?
O2A Ag1 2.376(11) 3_666 ?
O1A C32A 1.35(3) . ?
C32A C33A 1.38(2) . ?
C33A C34A 1.3900 . ?
C33A C38A 1.3900 . ?
C34A C35A 1.3900 . ?
C34A H34A 0.9400 . ?
C35A C36A 1.3900 . ?
C35A H35A 0.9400 . ?
C36A C37A 1.3900 . ?
C36A H36A 0.9400 . ?
C37A C38A 1.3900 . ?
C37A H37A 0.9400 . ?
C38A H38A 0.9400 . ?
O3 C39 1.246(18) . ?
O3 Ag1 2.551(10) 3_666 ?
O4 C39 1.23(2) . ?
C39 C40 1.51(2) . ?
C40 C41 1.42(3) . ?
C40 C45 1.42(3) . ?
C41 C42 1.48(3) . ?
C41 H41 0.9400 . ?
C42 C43 1.35(3) . ?
C42 H42 0.9400 . ?
C43 C44 1.36(4) . ?
C43 H43 0.9400 . ?
C44 C45 1.32(3) . ?
C44 H44 0.9400 . ?
C45 H45 0.9400 . ?
O3A C39A 1.27(3) . ?
O4A C39A 1.24(3) . ?
C39A C40A 1.53(3) . ?
C40A C45A 1.35(3) . ?
C40A C41A 1.42(3) . ?
C41A C42A 1.44(4) . ?
C41A H41A 0.9400 . ?
C42A C43A 1.35(4) . ?
C42A H42A 0.9400 . ?
C43A C44A 1.37(5) . ?
C43A H43A 0.9400 . ?
C44A C45A 1.43(4) . ?
C44A H44A 0.9400 . ?
C45A H45A 0.9400 . ?
O3B C39B 1.33(3) . ?
O4B C39B 1.15(3) . ?
C39B C40B 1.52(2) . ?
C40B C41B 1.3900 . ?
C40B C45B 1.3900 . ?
C41B C42B 1.3900 . ?
C41B H41B 0.9400 . ?
C42B C43B 1.3900 . ?
C42B H42B 0.9400 . ?
C43B C44B 1.3900 . ?
C43B H43B 0.9400 . ?
C44B C45B 1.3900 . ?
C44B H44B 0.9400 . ?
C45B H45B 0.9400 . ?

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
O1 Ag1 P1 130.9(2) . . ?
O2A Ag1 P1 120.0(3) 3_666 . ?
O2A Ag1 O1A 111.6(5) 3_666 . ?
P1 Ag1 O1A 127.4(4) . . ?
O1 Ag1 O2 95.1(3) . 3_666 ?
P1 Ag1 O2 133.36(16) . 3_666 ?
O1 Ag1 O3 82.4(3) . 3_666 ?
P1 Ag1 O3 109.1(3) . 3_666 ?
O2 Ag1 O3 80.3(3) 3_666 3_666 ?
N2 Ag2 O3 74.7(3) . . ?
N2 Ag2 P2 132.61(13) . 3_766 ?
O3 Ag2 P2 140.0(3) . 3_766 ?
N2 Ag2 O3A 90.6(4) . . ?
P2 Ag2 O3A 125.0(4) 3_766 . ?
N2 Ag2 O3B 98.2(4) . . ?
P2 Ag2 O3B 109.8(4) 3_766 . ?
N2 Ag2 O2A 97.9(3) . . ?
P2 Ag2 O2A 115.5(3) 3_766 . ?
O3A Ag2 O2A 81.9(4) . . ?
N2 Ag2 O2 84.76(19) . . ?
O3 Ag2 O2 82.5(3) . . ?
P2 Ag2 O2 122.62(14) 3_766 . ?
C8 P1 C14 105.3(3) . . ?
C8 P1 C1 103.2(3) . . ?
C14 P1 C1 99.7(2) . . ?
C8 P1 Ag1 117.31(19) . . ?
C14 P1 Ag1 112.17(18) . . ?
C1 P1 Ag1 117.0(2) . . ?
C20A P2 C26A 84.6(9) . . ?
C26 P2 C20 109.4(4) . . ?
C20A P2 C2 101.8(7) . . ?
C26A P2 C2 93.0(6) . . ?
C26 P2 C2 106.6(4) . . ?
C20 P2 C2 105.6(4) . . ?
C20A P2 Ag2 129.4(7) . 3_766 ?
C26A P2 Ag2 128.3(6) . 3_766 ?
C26 P2 Ag2 108.6(3) . 3_766 ?
C20 P2 Ag2 114.6(3) . 3_766 ?
C2 P2 Ag2 111.70(19) . 3_766 ?
C3 N1 C1 119.1(5) . . ?
C3 N1 C2 121.2(5) . . ?
C1 N1 C2 117.2(6) . . ?
C7 N2 C6 118.1(6) . . ?
C7 N2 Ag2 120.4(4) . . ?
C6 N2 Ag2 121.4(5) . . ?
N1 C1 P1 114.0(4) . . ?
N1 C1 H1A 108.7 . . ?
P1 C1 H1A 108.7 . . ?
N1 C1 H1B 108.7 . . ?
P1 C1 H1B 108.7 . . ?
H1A C1 H1B 107.6 . . ?
N1 C2 P2 114.4(4) . . ?
N1 C2 H2A 108.7 . . ?
P2 C2 H2A 108.7 . . ?
N1 C2 H2B 108.7 . . ?
P2 C2 H2B 108.7 . . ?
H2A C2 H2B 107.6 . . ?
N1 C3 C7 122.6(5) . . ?
N1 C3 C4 122.5(6) . . ?
C7 C3 C4 115.0(6) . . ?
C5 C4 C3 119.4(7) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
C6 C5 C4 120.2(6) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
N2 C6 C5 122.5(7) . . ?
N2 C6 H6 118.8 . . ?
C5 C6 H6 118.8 . . ?
N2 C7 C3 124.9(5) . . ?
N2 C7 H7 117.6 . . ?
C3 C7 H7 117.6 . . ?
C9 C8 C13 118.9(6) . . ?
C9 C8 P1 118.2(5) . . ?
C13 C8 P1 122.9(5) . . ?
C8 C9 C10 120.3(8) . . ?
C8 C9 H9 119.9 . . ?
C10 C9 H9 119.9 . . ?
C11 C10 C9 120.7(8) . . ?
C11 C10 H10 119.6 . . ?
C9 C10 H10 119.6 . . ?
C10 C11 C12 119.6(8) . . ?
C10 C11 H11 120.2 . . ?
C12 C11 H11 120.2 . . ?
C13 C12 C11 121.3(10) . . ?
C13 C12 H12 119.3 . . ?
C11 C12 H12 119.3 . . ?
C12 C13 C8 119.0(9) . . ?
C12 C13 H13 120.5 . . ?
C8 C13 H13 120.5 . . ?
C15 C14 C19 122.6(12) . . ?
C15 C14 P1 119.9(9) . . ?
C19 C14 P1 117.1(8) . . ?
C14 C15 C16 119.0(17) . . ?
C14 C15 H15 120.5 . . ?
C16 C15 H15 120.5 . . ?
C17 C16 C15 121.3(19) . . ?
C17 C16 H16 119.3 . . ?
C15 C16 H16 119.3 . . ?
C16 C17 C18 119.1(15) . . ?
C16 C17 H17 120.4 . . ?
C18 C17 H17 120.4 . . ?
C19 C18 C17 118.9(17) . . ?
C19 C18 H18 120.6 . . ?
C17 C18 H18 120.6 . . ?
C18 C19 C14 119.0(17) . . ?
C18 C19 H19 120.5 . . ?
C14 C19 H19 120.5 . . ?
C16A C15A H15A 120.2 . . ?
C15A C16A H16A 121.6 . . ?
C19A C18A H18A 118.8 . . ?
C18A C19A H19A 120.1 . . ?
C16B C15B H15B 116.8 . . ?
C17B C16B C15B 118(3) . . ?
C17B C16B H16B 120.9 . . ?
C15B C16B H16B 120.9 . . ?
C16B C17B C18B 120(2) . . ?
C16B C17B H17B 120.0 . . ?
C18B C17B H17B 120.0 . . ?
C19B C18B C17B 120.2(19) . . ?
C19B C18B H18B 119.9 . . ?
C17B C18B H18B 119.9 . . ?
C18B C19B H19B 118.0 . . ?
C25 C20 C21 117.3(8) . . ?
C25 C20 P2 120.3(6) . . ?
C21 C20 P2 122.3(7) . . ?
C20 C21 C22 120.7(9) . . ?
C20 C21 H21 119.7 . . ?
C22 C21 H21 119.7 . . ?
C23 C22 C21 118.6(9) . . ?
C23 C22 H22 120.7 . . ?
C21 C22 H22 120.7 . . ?
C22 C23 C24 121.2(10) . . ?
C22 C23 H23 119.4 . . ?
C24 C23 H23 119.4 . . ?
C25 C24 C23 119.8(11) . . ?
C25 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
C24 C25 C20 122.2(9) . . ?
C24 C25 H25 118.9 . . ?
C20 C25 H25 118.9 . . ?
C21A C20A C25A 120(2) . . ?
C21A C20A P2 127.5(17) . . ?
C25A C20A P2 112.5(15) . . ?
C20A C21A C22A 119(2) . . ?
C20A C21A H21A 120.6 . . ?
C22A C21A H21A 120.6 . . ?
C21A C22A C23A 121(2) . . ?
C21A C22A H22A 119.5 . . ?
C23A C22A H22A 119.5 . . ?
C24A C23A C22A 123(2) . . ?
C24A C23A H23A 118.5 . . ?
C22A C23A H23A 118.5 . . ?
C23A C24A C25A 109(2) . . ?
C23A C24A H24A 125.4 . . ?
C25A C24A H24A 125.4 . . ?
C20A C25A C24A 128(2) . . ?
C20A C25A H25A 116.1 . . ?
C24A C25A H25A 116.1 . . ?
C31 C26 C27 117.2(10) . . ?
C31 C26 P2 122.7(8) . . ?
C27 C26 P2 119.9(7) . . ?
C28 C27 C26 120.7(10) . . ?
C28 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C29 C28 C27 119.7(11) . . ?
C29 C28 H28 120.1 . . ?
C27 C28 H28 120.1 . . ?
C30 C29 C28 119.4(14) . . ?
C30 C29 H29 120.3 . . ?
C28 C29 H29 120.3 . . ?
C29 C30 C31 122.8(14) . . ?
C29 C30 H30 118.6 . . ?
C31 C30 H30 118.6 . . ?
C26 C31 C30 119.7(12) . . ?
C26 C31 H31 120.1 . . ?
C30 C31 H31 120.1 . . ?
C27A C26A C31A 117.6(16) . . ?
C27A C26A P2 135.2(15) . . ?
C31A C26A P2 107.1(13) . . ?
C28A C27A C26A 122.6(17) . . ?
C28A C27A H27A 118.7 . . ?
C26A C27A H27A 118.7 . . ?
C27A C28A C29A 120.5(18) . . ?
C27A C28A H28A 119.7 . . ?
C29A C28A H28A 119.7 . . ?
C28A C29A C30A 123(2) . . ?
C28A C29A H29A 118.5 . . ?
C30A C29A H29A 118.5 . . ?
C31A C30A C29A 115(2) . . ?
C31A C30A H30A 122.4 . . ?
C29A C30A H30A 122.4 . . ?
C30A C31A C26A 120.8(18) . . ?
C30A C31A H31A 119.6 . . ?
C26A C31A H31A 119.6 . . ?
C32 O2 Ag1 123.8(5) . 3_666 ?
C32 O2 Ag2 123.7(5) . . ?
Ag1 O2 Ag2 97.3(2) 3_666 . ?
C32 O1 Ag1 109.0(6) . . ?
O1 C32 O2 122.6(9) . . ?
O1 C32 C33 119.8(8) . . ?
O2 C32 C33 117.6(8) . . ?
C34 C33 C38 116.8(10) . . ?
C34 C33 C32 122.0(10) . . ?
C38 C33 C32 121.1(9) . . ?
C33 C34 C35 120.6(10) . . ?
C33 C34 H34 119.7 . . ?
C35 C34 H34 119.7 . . ?
C34 C35 C36 120.8(11) . . ?
C34 C35 H35B 119.6 . . ?
C36 C35 H35B 119.6 . . ?
C37 C36 C35 118.9(12) . . ?
C37 C36 H36 120.5 . . ?
C35 C36 H36 120.5 . . ?
C36 C37 C38 120.3(12) . . ?
C36 C37 H37 119.9 . . ?
C38 C37 H37 119.9 . . ?
C33 C38 C37 122.5(12) . . ?
C33 C38 H38 118.8 . . ?
C37 C38 H38 118.8 . . ?
C32A O2A Ag1 130.4(11) . 3_666 ?
C32A O2A Ag2 128.5(11) . . ?
Ag1 O2A Ag2 101.1(4) 3_666 . ?
C32A O1A Ag1 124.2(14) . . ?
O2A C32A O1A 118.8(19) . . ?
O2A C32A C33A 124.6(19) . . ?
O1A C32A C33A 116.5(16) . . ?
C32A C33A C34A 118.0(12) . . ?
C32A C33A C38A 122.0(12) . . ?
C34A C33A C38A 120.0 . . ?
C33A C34A C35A 120.0 . . ?
C33A C34A H34A 120.0 . . ?
C35A C34A H34A 120.0 . . ?
C36A C35A C34A 120.0 . . ?
C36A C35A H35A 120.0 . . ?
C34A C35A H35A 120.0 . . ?
C35A C36A C37A 120.0 . . ?
C35A C36A H36A 120.0 . . ?
C37A C36A H36A 120.0 . . ?
C38A C37A C36A 120.0 . . ?
C38A C37A H37A 120.0 . . ?
C36A C37A H37A 120.0 . . ?
C37A C38A C33A 120.0 . . ?
C37A C38A H38A 120.0 . . ?
C33A C38A H38A 120.0 . . ?
C39 O3 Ag2 116.0(9) . . ?
C39 O3 Ag1 140.9(9) . 3_666 ?
Ag2 O3 Ag1 99.2(4) . 3_666 ?
O4 C39 O3 124.8(15) . . ?
O4 C39 C40 122.0(14) . . ?
O3 C39 C40 113.1(14) . . ?
C41 C40 C45 122.1(17) . . ?
C41 C40 C39 115.2(15) . . ?
C45 C40 C39 122.7(16) . . ?
C40 C41 C42 115(2) . . ?
C40 C41 H41 122.6 . . ?
C42 C41 H41 122.6 . . ?
C43 C42 C41 118(2) . . ?
C43 C42 H42 120.9 . . ?
C41 C42 H42 120.9 . . ?
C42 C43 C44 124(3) . . ?
C42 C43 H43 117.9 . . ?
C44 C43 H43 117.9 . . ?
C45 C44 C43 121(3) . . ?
C45 C44 H44 119.4 . . ?
C43 C44 H44 119.4 . . ?
C44 C45 C40 119(2) . . ?
C44 C45 H45 120.5 . . ?
C40 C45 H45 120.5 . . ?
C39A O3A Ag2 109.6(12) . . ?
O4A C39A O3A 125.3(18) . . ?
O4A C39A C40A 119(2) . . ?
O3A C39A C40A 115.7(18) . . ?
C45A C40A C41A 121.6(19) . . ?
C45A C40A C39A 122.7(18) . . ?
C41A C40A C39A 115.6(17) . . ?
C40A C41A C42A 121(2) . . ?
C40A C41A H41A 119.7 . . ?
C42A C41A H41A 119.7 . . ?
C43A C42A C41A 113(3) . . ?
C43A C42A H42A 123.6 . . ?
C41A C42A H42A 123.6 . . ?
C42A C43A C44A 129(3) . . ?
C42A C43A H43A 115.4 . . ?
C44A C43A H43A 115.4 . . ?
C43A C44A C45A 115(3) . . ?
C43A C44A H44A 122.3 . . ?
C45A C44A H44A 122.3 . . ?
C40A C45A C44A 119(2) . . ?
C40A C45A H45A 120.5 . . ?
C44A C45A H45A 120.5 . . ?
C39B O3B Ag2 105.9(12) . . ?
O4B C39B O3B 127.5(19) . . ?
O4B C39B C40B 119.6(16) . . ?
O3B C39B C40B 112.7(16) . . ?
C41B C40B C45B 120.0 . . ?
C41B C40B C39B 115.6(11) . . ?
C45B C40B C39B 124.1(11) . . ?
C40B C41B C42B 120.0 . . ?
C40B C41B H41B 120.0 . . ?
C42B C41B H41B 120.0 . . ?
C43B C42B C41B 120.0 . . ?
C43B C42B H42B 120.0 . . ?
C41B C42B H42B 120.0 . . ?
C44B C43B C42B 120.0 . . ?
C44B C43B H43B 120.0 . . ?
C42B C43B H43B 120.0 . . ?
C43B C44B C45B 120.0 . . ?
C43B C44B H44B 120.0 . . ?
C45B C44B H44B 120.0 . . ?
C44B C45B C40B 120.0 . . ?
C44B C45B H45B 120.0 . . ?
C40B C45B H45B 120.0 . . ?

_refine_diff_density_max         2.673
_refine_diff_density_min         -1.051
_refine_diff_density_rms         0.130

_shelxl_version_number           2013-2

####################################################################### 
# 
# 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 1450958'
_audit_update_record             
;
2016-01-31 deposited with the CCDC.
2016-05-03 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H33 Ag N2 O3 P2'
_chemical_formula_sum            'C38 H33 Ag N2 O3 P2'
_chemical_formula_weight         735.47

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   13.9801(5)
_cell_length_b                   17.5774(5)
_cell_length_c                   14.7617(5)
_cell_angle_alpha                90
_cell_angle_beta                 109.961(4)
_cell_angle_gamma                90
_cell_volume                     3409.5(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    8708
_cell_measurement_theta_min      3.7390
_cell_measurement_theta_max      28.4210

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.433
_exptl_crystal_F_000             1504
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.724
_shelx_estimated_absorpt_T_min   0.869
_shelx_estimated_absorpt_T_max   0.931
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.88790
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      223(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_detector_area_resol_mean 10.4471
_diffrn_reflns_number            25868
_diffrn_reflns_av_unetI/netI     0.0481
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.894
_diffrn_reflns_theta_max         30.416
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.888
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.888
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.888
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             9148
_reflns_number_gt                6817
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'SHELXL-2013 (Sheldrick, 2013)'
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0266P)²+1.2045P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9148
_refine_ls_number_parameters     415
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0623
_refine_ls_R_factor_gt           0.0390
_refine_ls_wR_factor_ref         0.0814
_refine_ls_wR_factor_gt          0.0709
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.69431(2) 0.72975(2) 0.55190(2) 0.03340(6) Uani 1 1 d . . . . .
P1 P 0.54169(4) 0.78589(3) 0.43243(4) 0.03040(13) Uani 1 1 d . . . . .
P2 P 0.68747(4) 0.60646(3) 0.47748(4) 0.02953(13) Uani 1 1 d . . . . .
O1 O 0.67883(14) 0.71970(10) 0.70986(12) 0.0442(4) Uani 1 1 d . . . . .
O2 O 0.53605(14) 0.65917(11) 0.62677(13) 0.0519(5) Uani 1 1 d . . . . .
O3 O 0.41917(15) 0.60719(11) 0.70737(15) 0.0603(5) Uani 1 1 d . . . . .
H3 H 0.4403 0.6175 0.6626 0.090 Uiso 1 1 calc R U . . .
N1 N 0.49103(13) 0.64188(10) 0.35169(13) 0.0310(4) Uani 1 1 d . . . . .
N2 N 0.32359(14) 0.68313(11) 0.10580(14) 0.0342(4) Uani 1 1 d . . . . .
C1 C 0.45538(16) 0.70183(13) 0.40094(17) 0.0320(5) Uani 1 1 d . . . . .
H1A H 0.4530 0.6834 0.4628 0.038 Uiso 1 1 d R U . . .
H1B H 0.3858 0.7150 0.3604 0.038 Uiso 1 1 d R U . . .
C2 C 0.55133(16) 0.58145(12) 0.41244(16) 0.0322(5) Uani 1 1 d . . . . .
H2A H 0.5489 0.5367 0.3721 0.039 Uiso 1 1 calc R U . . .
H2B H 0.5199 0.5674 0.4601 0.039 Uiso 1 1 calc R U . . .
C3 C 0.44261(15) 0.63208(12) 0.25341(16) 0.0278(5) Uani 1 1 d . . . . .
C4 C 0.45004(17) 0.56667(13) 0.20221(17) 0.0341(5) Uani 1 1 d . . . . .
H4 H 0.4929 0.5265 0.2338 0.041 Uiso 1 1 calc R U . . .
C5 C 0.39424(18) 0.56128(13) 0.10524(17) 0.0377(6) Uani 1 1 d . . . . .
H5 H 0.3998 0.5177 0.0705 0.045 Uiso 1 1 calc R U . . .
C6 C 0.33075(18) 0.61932(14) 0.05951(17) 0.0371(5) Uani 1 1 d . . . . .
H6 H 0.2913 0.6141 -0.0060 0.044 Uiso 1 1 calc R U . . .
C7 C 0.37879(16) 0.68950(13) 0.19863(17) 0.0335(5) Uani 1 1 d . . . . .
H7 H 0.3749 0.7354 0.2298 0.040 Uiso 1 1 calc R U . . .
C8 C 0.46985(18) 0.85559(12) 0.47363(17) 0.0333(5) Uani 1 1 d . . . . .
C9 C 0.36958(19) 0.87545(14) 0.4241(2) 0.0419(6) Uani 1 1 d . . . . .
H9 H 0.3331 0.8503 0.3664 0.050 Uiso 1 1 calc R U . . .
C10 C 0.3230(2) 0.93220(16) 0.4592(2) 0.0515(7) Uani 1 1 d . . . . .
H10 H 0.2552 0.9457 0.4252 0.062 Uiso 1 1 calc R U . . .
C11 C 0.3761(2) 0.96876(15) 0.5439(2) 0.0550(8) Uani 1 1 d . . . . .
H11 H 0.3447 1.0080 0.5668 0.066 Uiso 1 1 calc R U . . .
C12 C 0.4742(2) 0.94853(15) 0.5952(2) 0.0507(7) Uani 1 1 d . . . . .
H12 H 0.5095 0.9729 0.6538 0.061 Uiso 1 1 calc R U . . .
C13 C 0.5215(2) 0.89179(13) 0.56016(18) 0.0405(6) Uani 1 1 d . . . . .
H13 H 0.5889 0.8778 0.5953 0.049 Uiso 1 1 calc R U . . .
C14 C 0.54995(17) 0.82289(13) 0.31968(16) 0.0340(5) Uani 1 1 d . . . . .
C15 C 0.6321(2) 0.79985(19) 0.2951(2) 0.0613(8) Uani 1 1 d . . . . .
H15 H 0.6798 0.7663 0.3361 0.074 Uiso 1 1 calc R U . . .
C16 C 0.6459(3) 0.8249(2) 0.2119(3) 0.0863(12) Uani 1 1 d . . . . .
H16 H 0.7019 0.8077 0.1961 0.104 Uiso 1 1 calc R U . . .
C17 C 0.5777(3) 0.8750(2) 0.1521(2) 0.0766(10) Uani 1 1 d . . . . .
H17 H 0.5868 0.8924 0.0953 0.092 Uiso 1 1 calc R U . . .
C18 C 0.4965(2) 0.89937(18) 0.1759(2) 0.0597(8) Uani 1 1 d . . . . .
H18 H 0.4498 0.9337 0.1353 0.072 Uiso 1 1 calc R U . . .
C19 C 0.4825(2) 0.87430(15) 0.25835(19) 0.0450(6) Uani 1 1 d . . . . .
H19 H 0.4265 0.8921 0.2738 0.054 Uiso 1 1 calc R U . . .
C20 C 0.73030(17) 0.52056(12) 0.54874(17) 0.0326(5) Uani 1 1 d . . . . .
C21 C 0.7659(3) 0.45740(16) 0.5153(2) 0.0631(9) Uani 1 1 d . . . . .
H21 H 0.7664 0.4565 0.4518 0.076 Uiso 1 1 calc R U . . .
C22 C 0.8008(3) 0.39542(17) 0.5746(3) 0.0818(12) Uani 1 1 d . . . . .
H22 H 0.8259 0.3529 0.5512 0.098 Uiso 1 1 calc R U . . .
C23 C 0.7996(2) 0.39468(15) 0.6672(2) 0.0555(8) Uani 1 1 d . . . . .
H23 H 0.8237 0.3522 0.7071 0.067 Uiso 1 1 calc R U . . .
C24 C 0.7628(2) 0.45655(15) 0.70034(19) 0.0467(6) Uani 1 1 d . . . . .
H24 H 0.7606 0.4566 0.7633 0.056 Uiso 1 1 calc R U . . .
C25 C 0.7288(2) 0.51919(14) 0.64164(19) 0.0433(6) Uani 1 1 d . . . . .
H25 H 0.7042 0.5617 0.6655 0.052 Uiso 1 1 calc R U . . .
C26 C 0.75087(17) 0.60719(13) 0.38836(17) 0.0337(5) Uani 1 1 d . . . . .
C27 C 0.7220(2) 0.56452(18) 0.3043(2) 0.0578(8) Uani 1 1 d . . . . .
H27 H 0.6683 0.5294 0.2919 0.069 Uiso 1 1 calc R U . . .
C28 C 0.7717(3) 0.5733(2) 0.2390(3) 0.0861(12) Uani 1 1 d . . . . .
H28 H 0.7509 0.5447 0.1817 0.103 Uiso 1 1 calc R U . . .
C29 C 0.8517(3) 0.6236(2) 0.2567(3) 0.0846(12) Uani 1 1 d . . . . .
H29 H 0.8847 0.6297 0.2113 0.102 Uiso 1 1 calc R U . . .
C30 C 0.8829(3) 0.66445(18) 0.3403(3) 0.0690(10) Uani 1 1 d . . . . .
H30 H 0.9384 0.6979 0.3533 0.083 Uiso 1 1 calc R U . . .
C31 C 0.8326(2) 0.65660(15) 0.4058(2) 0.0473(7) Uani 1 1 d . . . . .
H31 H 0.8541 0.6852 0.4630 0.057 Uiso 1 1 calc R U . . .
C32 C 0.59825(19) 0.68630(14) 0.70417(17) 0.0372(5) Uani 1 1 d . . . . .
C33 C 0.57186(18) 0.67548(12) 0.79359(17) 0.0348(5) Uani 1 1 d . . . . .
C34 C 0.4836(2) 0.63600(14) 0.7905(2) 0.0445(6) Uani 1 1 d . . . . .
C35 C 0.4623(3) 0.62560(16) 0.8749(2) 0.0593(8) Uani 1 1 d . . . . .
H35 H 0.4030 0.5994 0.8730 0.071 Uiso 1 1 calc R U . . .
C36 C 0.5267(3) 0.65313(17) 0.9610(2) 0.0632(9) Uani 1 1 d . . . . .
H36 H 0.5113 0.6456 1.0176 0.076 Uiso 1 1 calc R U . . .
C37 C 0.6137(2) 0.69170(17) 0.9652(2) 0.0546(7) Uani 1 1 d . . . . .
H37 H 0.6579 0.7105 1.0242 0.066 Uiso 1 1 calc R U . . .
C38 C 0.6353(2) 0.70238(14) 0.88155(18) 0.0424(6) Uani 1 1 d . . . . .
H38 H 0.6948 0.7287 0.8845 0.051 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.2940(18) 4_676 ?
Ag1 P2 2.4168(6) . ?
Ag1 O1 2.4206(17) . ?
Ag1 P1 2.4632(6) . ?
P1 C8 1.816(2) . ?
P1 C14 1.827(2) . ?
P1 C1 1.863(2) . ?
P2 C26 1.820(2) . ?
P2 C20 1.821(2) . ?
P2 C2 1.868(2) . ?
O1 C32 1.247(3) . ?
O2 C32 1.269(3) . ?
O3 C34 1.349(3) . ?
O3 H3 0.8300 . ?
N1 C3 1.386(3) . ?
N1 C2 1.458(3) . ?
N1 C1 1.461(3) . ?
N2 C7 1.328(3) . ?
N2 C6 1.335(3) . ?
N2 Ag1 2.2940(18) 4_575 ?
C1 H1A 0.9798 . ?
C1 H1B 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C3 C4 1.399(3) . ?
C3 C7 1.406(3) . ?
C4 C5 1.380(3) . ?
C4 H4 0.9400 . ?
C5 C6 1.369(3) . ?
C5 H5 0.9400 . ?
C6 H6 0.9400 . ?
C7 H7 0.9400 . ?
C8 C9 1.386(3) . ?
C8 C13 1.388(3) . ?
C9 C10 1.385(4) . ?
C9 H9 0.9400 . ?
C10 C11 1.377(4) . ?
C10 H10 0.9400 . ?
C11 C12 1.368(4) . ?
C11 H11 0.9400 . ?
C12 C13 1.390(3) . ?
C12 H12 0.9400 . ?
C13 H13 0.9400 . ?
C14 C15 1.378(4) . ?
C14 C19 1.394(3) . ?
C15 C16 1.380(4) . ?
C15 H15 0.9400 . ?
C16 C17 1.375(5) . ?
C16 H16 0.9400 . ?
C17 C18 1.367(4) . ?
C17 H17 0.9400 . ?
C18 C19 1.369(4) . ?
C18 H18 0.9400 . ?
C19 H19 0.9400 . ?
C20 C21 1.375(3) . ?
C20 C25 1.379(3) . ?
C21 C22 1.378(4) . ?
C21 H21 0.9400 . ?
C22 C23 1.374(4) . ?
C22 H22 0.9400 . ?
C23 C24 1.363(4) . ?
C23 H23 0.9400 . ?
C24 C25 1.381(3) . ?
C24 H24 0.9400 . ?
C25 H25 0.9400 . ?
C26 C27 1.387(3) . ?
C26 C31 1.387(3) . ?
C27 C28 1.376(4) . ?
C27 H27 0.9400 . ?
C28 C29 1.379(5) . ?
C28 H28 0.9400 . ?
C29 C30 1.364(5) . ?
C29 H29 0.9400 . ?
C30 C31 1.383(4) . ?
C30 H30 0.9400 . ?
C31 H31 0.9400 . ?
C32 C33 1.499(3) . ?
C33 C38 1.382(3) . ?
C33 C34 1.403(4) . ?
C34 C35 1.389(4) . ?
C35 C36 1.371(4) . ?
C35 H35 0.9400 . ?
C36 C37 1.376(4) . ?
C36 H36 0.9400 . ?
C37 C38 1.380(4) . ?
C37 H37 0.9400 . ?
C38 H38 0.9400 . ?

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
N2 Ag1 P2 131.33(5) 4_676 . ?
N2 Ag1 O1 91.93(6) 4_676 . ?
P2 Ag1 O1 111.70(4) . . ?
N2 Ag1 P1 111.61(5) 4_676 . ?
P2 Ag1 P1 98.25(2) . . ?
O1 Ag1 P1 112.24(5) . . ?
C8 P1 C14 106.21(11) . . ?
C8 P1 C1 103.50(10) . . ?
C14 P1 C1 106.97(11) . . ?
C8 P1 Ag1 118.26(8) . . ?
C14 P1 Ag1 119.09(8) . . ?
C1 P1 Ag1 100.94(7) . . ?
C26 P2 C20 106.15(11) . . ?
C26 P2 C2 106.99(11) . . ?
C20 P2 C2 100.27(10) . . ?
C26 P2 Ag1 111.64(8) . . ?
C20 P2 Ag1 121.79(8) . . ?
C2 P2 Ag1 108.66(7) . . ?
C32 O1 Ag1 110.20(15) . . ?
C34 O3 H3 109.5 . . ?
C3 N1 C2 121.75(18) . . ?
C3 N1 C1 118.86(18) . . ?
C2 N1 C1 116.30(18) . . ?
C7 N2 C6 118.7(2) . . ?
C7 N2 Ag1 114.40(15) . 4_575 ?
C6 N2 Ag1 124.83(15) . 4_575 ?
N1 C1 P1 113.22(15) . . ?
N1 C1 H1A 110.5 . . ?
P1 C1 H1A 104.8 . . ?
N1 C1 H1B 107.6 . . ?
P1 C1 H1B 112.8 . . ?
H1A C1 H1B 107.8 . . ?
N1 C2 P2 114.72(15) . . ?
N1 C2 H2A 108.6 . . ?
P2 C2 H2A 108.6 . . ?
N1 C2 H2B 108.6 . . ?
P2 C2 H2B 108.6 . . ?
H2A C2 H2B 107.6 . . ?
N1 C3 C4 124.6(2) . . ?
N1 C3 C7 120.00(19) . . ?
C4 C3 C7 115.4(2) . . ?
C5 C4 C3 119.8(2) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C6 C5 C4 120.1(2) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
N2 C6 C5 121.5(2) . . ?
N2 C6 H6 119.2 . . ?
C5 C6 H6 119.2 . . ?
N2 C7 C3 124.3(2) . . ?
N2 C7 H7 117.8 . . ?
C3 C7 H7 117.8 . . ?
C9 C8 C13 119.0(2) . . ?
C9 C8 P1 124.64(19) . . ?
C13 C8 P1 116.38(18) . . ?
C10 C9 C8 120.2(3) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C11 C10 C9 120.0(3) . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C12 C11 C10 120.6(2) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C11 C12 C13 119.6(3) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
C8 C13 C12 120.5(3) . . ?
C8 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C15 C14 C19 117.4(2) . . ?
C15 C14 P1 116.90(19) . . ?
C19 C14 P1 125.71(19) . . ?
C14 C15 C16 121.5(3) . . ?
C14 C15 H15 119.2 . . ?
C16 C15 H15 119.2 . . ?
C17 C16 C15 120.0(3) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C18 C17 C16 119.3(3) . . ?
C18 C17 H17 120.4 . . ?
C16 C17 H17 120.4 . . ?
C17 C18 C19 120.8(3) . . ?
C17 C18 H18 119.6 . . ?
C19 C18 H18 119.6 . . ?
C18 C19 C14 121.0(3) . . ?
C18 C19 H19 119.5 . . ?
C14 C19 H19 119.5 . . ?
C21 C20 C25 118.2(2) . . ?
C21 C20 P2 123.4(2) . . ?
C25 C20 P2 118.39(18) . . ?
C20 C21 C22 120.3(3) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C23 C22 C21 121.1(3) . . ?
C23 C22 H22 119.4 . . ?
C21 C22 H22 119.4 . . ?
C24 C23 C22 119.0(3) . . ?
C24 C23 H23 120.5 . . ?
C22 C23 H23 120.5 . . ?
C23 C24 C25 120.1(3) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C20 C25 C24 121.3(2) . . ?
C20 C25 H25 119.4 . . ?
C24 C25 H25 119.4 . . ?
C27 C26 C31 118.3(2) . . ?
C27 C26 P2 125.33(19) . . ?
C31 C26 P2 116.32(19) . . ?
C28 C27 C26 120.3(3) . . ?
C28 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C27 C28 C29 120.6(3) . . ?
C27 C28 H28 119.7 . . ?
C29 C28 H28 119.7 . . ?
C30 C29 C28 119.8(3) . . ?
C30 C29 H29 120.1 . . ?
C28 C29 H29 120.1 . . ?
C29 C30 C31 119.9(3) . . ?
C29 C30 H30 120.1 . . ?
C31 C30 H30 120.1 . . ?
C30 C31 C26 121.0(3) . . ?
C30 C31 H31 119.5 . . ?
C26 C31 H31 119.5 . . ?
O1 C32 O2 124.3(2) . . ?
O1 C32 C33 119.2(2) . . ?
O2 C32 C33 116.5(2) . . ?
C38 C33 C34 118.3(2) . . ?
C38 C33 C32 120.8(2) . . ?
C34 C33 C32 120.8(2) . . ?
O3 C34 C35 119.1(3) . . ?
O3 C34 C33 121.5(2) . . ?
C35 C34 C33 119.5(3) . . ?
C36 C35 C34 120.7(3) . . ?
C36 C35 H35 119.6 . . ?
C34 C35 H35 119.6 . . ?
C35 C36 C37 120.4(3) . . ?
C35 C36 H36 119.8 . . ?
C37 C36 H36 119.8 . . ?
C36 C37 C38 119.1(3) . . ?
C36 C37 H37 120.4 . . ?
C38 C37 H37 120.4 . . ?
C37 C38 C33 121.9(3) . . ?
C37 C38 H38 119.1 . . ?
C33 C38 H38 119.1 . . ?

_refine_diff_density_max         0.434
_refine_diff_density_min         -0.372
_refine_diff_density_rms         0.071

_shelxl_version_number           2013-2

####################################################################### 
# 
# 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 1450959'
_audit_update_record             
;
2016-01-31 deposited with the CCDC.
2016-05-03 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C90 H76 Ag4 N4 O12 P4'
_chemical_formula_sum            'C90 H76 Ag4 N4 O12 P4'
_chemical_formula_weight         1960.90

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

_cell_length_a                   10.1121(3)
_cell_length_b                   14.2728(5)
_cell_length_c                   28.6382(11)
_cell_angle_alpha                90
_cell_angle_beta                 92.366(3)
_cell_angle_gamma                90
_cell_volume                     4129.8(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    8242
_cell_measurement_theta_min      3.3900
_cell_measurement_theta_max      29.5180

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_F_000             1976
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    1.077
_shelx_estimated_absorpt_T_min   0.738
_shelx_estimated_absorpt_T_max   0.813
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.79292
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      223(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_detector_area_resol_mean 10.4471
_diffrn_reflns_number            32135
_diffrn_reflns_av_unetI/netI     0.0467
_diffrn_reflns_av_R_equivalents  0.0361
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         2.809
_diffrn_reflns_theta_max         30.353
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.876
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.876
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.876
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             10909
_reflns_number_gt                6841
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'SHELXL-2013 (Sheldrick, 2013)'
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0581P)²+4.0441P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10909
_refine_ls_number_parameters     514
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0947
_refine_ls_R_factor_gt           0.0529
_refine_ls_wR_factor_ref         0.1448
_refine_ls_wR_factor_gt          0.1214
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.91979(3) 0.60539(3) 0.54879(2) 0.06140(13) Uani 1 1 d . . . . .
Ag2 Ag 0.74016(3) 0.47388(3) 0.41065(2) 0.05412(12) Uani 1 1 d . . . . .
P1 P 0.74526(9) 0.66618(7) 0.59325(4) 0.0415(2) Uani 1 1 d . . . . .
P2 P 0.38442(10) 0.43719(8) 0.64444(4) 0.0475(3) Uani 1 1 d . . . . .
N1 N 0.6051(3) 0.5017(3) 0.59846(13) 0.0490(8) Uani 1 1 d . . . . .
N2 N 0.6947(3) 0.4152(2) 0.48321(13) 0.0494(8) Uani 1 1 d . . . . .
O1 O 0.9865(3) 0.6703(2) 0.48025(12) 0.0638(8) Uani 1 1 d . . . . .
O2 O 0.9565(3) 0.5327(2) 0.44661(13) 0.0642(9) Uani 1 1 d . . . . .
O3 O 1.0606(4) 0.8122(3) 0.4355(2) 0.1028(15) Uani 1 1 d . . . . .
H3O H 1.0295 0.7825 0.4574 0.154 Uiso 1 1 calc R U . . .
O4 O 0.8427(4) 0.3299(3) 0.39949(15) 0.0836(11) Uani 1 1 d . . . . .
O5 O 0.6806(4) 0.3168(3) 0.34388(17) 0.0992(13) Uani 1 1 d . . . . .
O6 O 0.6901(5) 0.1860(4) 0.2863(2) 0.1203(17) Uani 1 1 d . . . . .
H6O H 0.6763 0.2398 0.2958 0.180 Uiso 1 1 calc R U . . .
C1 C 0.5876(4) 0.6003(3) 0.58856(16) 0.0463(9) Uani 1 1 d . . . . .
H1A H 0.5258 0.6269 0.6105 0.056 Uiso 1 1 calc R U . . .
H1B H 0.5483 0.6077 0.5569 0.056 Uiso 1 1 calc R U . . .
C2 C 0.5637(4) 0.4691(3) 0.64347(16) 0.0545(11) Uani 1 1 d . . . . .
H2A H 0.5821 0.5183 0.6667 0.065 Uiso 1 1 calc R U . . .
H2B H 0.6168 0.4142 0.6527 0.065 Uiso 1 1 calc R U . . .
C3 C 0.6319(3) 0.4400(3) 0.56294(15) 0.0455(10) Uani 1 1 d . . . . .
C4 C 0.6306(4) 0.3430(3) 0.56890(19) 0.0577(12) Uani 1 1 d . . . . .
H4 H 0.6108 0.3171 0.5980 0.069 Uiso 1 1 calc R U . . .
C5 C 0.6579(4) 0.2861(3) 0.5326(2) 0.0635(13) Uani 1 1 d . . . . .
H5 H 0.6544 0.2208 0.5366 0.076 Uiso 1 1 calc R U . . .
C6 C 0.6905(4) 0.3220(3) 0.49020(19) 0.0587(12) Uani 1 1 d . . . . .
H6 H 0.7101 0.2811 0.4657 0.070 Uiso 1 1 calc R U . . .
C7 C 0.6648(4) 0.4717(3) 0.51825(15) 0.0435(9) Uani 1 1 d . . . . .
H7 H 0.6656 0.5367 0.5129 0.052 Uiso 1 1 calc R U . . .
C8 C 0.6897(5) 0.7825(3) 0.57590(17) 0.0585(12) Uani 1 1 d . . . . .
C9 C 0.5654(8) 0.8173(5) 0.5858(3) 0.109(2) Uani 1 1 d . . . . .
H9 H 0.5057 0.7796 0.6017 0.131 Uiso 1 1 calc R U . . .
C10 C 0.5286(12) 0.9083(7) 0.5721(4) 0.143(4) Uani 1 1 d . . . . .
H10 H 0.4438 0.9309 0.5784 0.172 Uiso 1 1 calc R U . . .
C11 C 0.6126(13) 0.9626(6) 0.5504(4) 0.142(4) Uani 1 1 d . . . . .
H11 H 0.5874 1.0241 0.5424 0.171 Uiso 1 1 calc R U . . .
C12 C 0.7309(14) 0.9324(9) 0.5396(4) 0.175(4) Uani 1 1 d . U . . .
H12 H 0.7891 0.9722 0.5243 0.210 Uiso 1 1 calc R U . . .
C13 C 0.7704(10) 0.8382(6) 0.5516(3) 0.142(3) Uani 1 1 d . . . . .
H13 H 0.8526 0.8153 0.5424 0.171 Uiso 1 1 calc R U . . .
C14 C 0.7801(4) 0.6748(3) 0.65566(15) 0.0509(10) Uani 1 1 d . . . . .
C15 C 0.6839(6) 0.6954(5) 0.6872(2) 0.0905(19) Uani 1 1 d . . . . .
H15 H 0.5951 0.7030 0.6769 0.109 Uiso 1 1 calc R U . . .
C16 C 0.7204(10) 0.7047(6) 0.7346(2) 0.116(3) Uani 1 1 d . . . . .
H16 H 0.6555 0.7185 0.7561 0.139 Uiso 1 1 calc R U . . .
C17 C 0.8486(10) 0.6941(5) 0.7501(2) 0.106(2) Uani 1 1 d . . . . .
H17 H 0.8718 0.7000 0.7821 0.127 Uiso 1 1 calc R U . . .
C18 C 0.9405(8) 0.6754(6) 0.7199(2) 0.106(2) Uani 1 1 d . . . . .
H18 H 1.0292 0.6695 0.7307 0.127 Uiso 1 1 calc R U . . .
C19 C 0.9088(5) 0.6643(4) 0.67252(19) 0.0734(15) Uani 1 1 d . . . . .
H19 H 0.9756 0.6495 0.6519 0.088 Uiso 1 1 calc R U . . .
C20 C 0.3819(4) 0.3107(3) 0.6367(2) 0.0619(13) Uani 1 1 d . . . . .
C21 C 0.3009(6) 0.2744(5) 0.6012(3) 0.110(3) Uani 1 1 d . . . . .
H21 H 0.2478 0.3147 0.5825 0.132 Uiso 1 1 calc R U . . .
C22 C 0.2976(9) 0.1781(7) 0.5931(5) 0.179(6) Uani 1 1 d . . . . .
H22 H 0.2433 0.1529 0.5688 0.215 Uiso 1 1 calc R U . . .
C23 C 0.3758(12) 0.1208(6) 0.6216(6) 0.173(6) Uani 1 1 d . . . . .
H23 H 0.3714 0.0555 0.6175 0.207 Uiso 1 1 calc R U . . .
C24 C 0.4576(11) 0.1564(6) 0.6548(4) 0.138(4) Uani 1 1 d . . . . .
H24 H 0.5146 0.1167 0.6725 0.166 Uiso 1 1 calc R U . . .
C25 C 0.4582(7) 0.2511(4) 0.6630(2) 0.0901(19) Uani 1 1 d . . . . .
H25 H 0.5129 0.2753 0.6875 0.108 Uiso 1 1 calc R U . . .
C26 C 0.3475(4) 0.4506(3) 0.70562(16) 0.0558(11) Uani 1 1 d . . . . .
C27 C 0.2222(6) 0.4681(5) 0.7176(2) 0.096(2) Uani 1 1 d . . . . .
H27 H 0.1570 0.4793 0.6939 0.115 Uiso 1 1 calc R U . . .
C28 C 0.1870(7) 0.4700(7) 0.7638(3) 0.118(3) Uani 1 1 d . . . . .
H28 H 0.0977 0.4786 0.7707 0.142 Uiso 1 1 calc R U . . .
C29 C 0.2750(8) 0.4601(6) 0.7978(2) 0.106(2) Uani 1 1 d . . . . .
H29 H 0.2500 0.4671 0.8288 0.128 Uiso 1 1 calc R U . . .
C30 C 0.4059(8) 0.4392(5) 0.7887(2) 0.095(2) Uani 1 1 d . . . . .
H30 H 0.4683 0.4283 0.8133 0.114 Uiso 1 1 calc R U . . .
C31 C 0.4422(6) 0.4347(4) 0.7428(2) 0.0759(15) Uani 1 1 d . . . . .
H31 H 0.5303 0.4210 0.7362 0.091 Uiso 1 1 calc R U . . .
C32 C 0.9931(4) 0.6155(4) 0.44556(16) 0.0508(11) Uani 1 1 d . . . . .
C33 C 1.0457(4) 0.6584(4) 0.40220(17) 0.0615(13) Uani 1 1 d . . . . .
C34 C 1.0778(5) 0.7545(5) 0.3996(2) 0.0791(18) Uani 1 1 d . . . . .
C35 C 1.1292(6) 0.7889(7) 0.3586(4) 0.130(4) Uani 1 1 d . . . . .
H35 H 1.1506 0.8528 0.3563 0.156 Uiso 1 1 calc R U . . .
C36 C 1.1491(8) 0.7303(12) 0.3215(4) 0.167(7) Uani 1 1 d . . . . .
H36 H 1.1860 0.7543 0.2944 0.200 Uiso 1 1 calc R U . . .
C37 C 1.1164(7) 0.6386(10) 0.3234(3) 0.139(5) Uani 1 1 d . . . . .
H37 H 1.1282 0.5999 0.2974 0.167 Uiso 1 1 calc R U . . .
C38 C 1.0660(5) 0.6018(6) 0.36315(19) 0.090(2) Uani 1 1 d . . . . .
H38 H 1.0448 0.5377 0.3642 0.107 Uiso 1 1 calc R U . . .
C39 C 0.7797(6) 0.2861(4) 0.3682(2) 0.0772(16) Uani 1 1 d . . . . .
C40 C 0.8188(6) 0.1861(4) 0.3582(3) 0.0849(18) Uani 1 1 d . . . . .
C41 C 0.7723(7) 0.1404(5) 0.3174(3) 0.094(2) Uani 1 1 d . . . . .
C42 C 0.8085(8) 0.0471(5) 0.3079(3) 0.109(2) Uani 1 1 d . . . . .
H42 H 0.7756 0.0160 0.2809 0.131 Uiso 1 1 calc R U . . .
C43 C 0.8903(10) 0.0047(6) 0.3384(5) 0.133(3) Uani 1 1 d . . . . .
H43 H 0.9180 -0.0565 0.3317 0.160 Uiso 1 1 calc R U . . .
C44 C 0.9370(10) 0.0453(7) 0.3794(5) 0.159(4) Uani 1 1 d . . . . .
H44 H 0.9932 0.0120 0.4004 0.191 Uiso 1 1 calc R U . . .
C45 C 0.8989(8) 0.1379(6) 0.3892(4) 0.123(3) Uani 1 1 d . . . . .
H45 H 0.9288 0.1665 0.4172 0.148 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 O1 2.297(3) . ?
Ag1 O2 2.336(3) 3_766 ?
Ag1 P1 2.3820(10) . ?
Ag2 N2 2.304(4) . ?
Ag2 O4 2.330(4) . ?
Ag2 P2 2.3502(12) 3_666 ?
Ag2 O2 2.523(3) . ?
P1 C14 1.812(4) . ?
P1 C8 1.815(5) . ?
P1 C1 1.851(4) . ?
P2 C26 1.816(5) . ?
P2 C20 1.818(5) . ?
P2 C2 1.871(4) . ?
P2 Ag2 2.3503(12) 3_666 ?
N1 C3 1.381(6) . ?
N1 C1 1.445(5) . ?
N1 C2 1.448(5) . ?
N2 C7 1.332(5) . ?
N2 C6 1.346(6) . ?
O1 C32 1.269(5) . ?
O2 C32 1.238(5) . ?
O2 Ag1 2.336(3) 3_766 ?
O3 C34 1.335(8) . ?
O3 H3O 0.8300 . ?
O4 C39 1.245(7) . ?
O5 C39 1.274(7) . ?
O6 C41 1.359(9) . ?
O6 H6O 0.8300 . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C3 C4 1.395(6) . ?
C3 C7 1.410(6) . ?
C4 C5 1.357(7) . ?
C4 H4 0.9400 . ?
C5 C6 1.371(7) . ?
C5 H5 0.9400 . ?
C6 H6 0.9400 . ?
C7 H7 0.9400 . ?
C8 C13 1.353(9) . ?
C8 C9 1.392(8) . ?
C9 C10 1.402(10) . ?
C9 H9 0.9400 . ?
C10 C11 1.324(14) . ?
C10 H10 0.9400 . ?
C11 C12 1.319(14) . ?
C11 H11 0.9400 . ?
C12 C13 1.440(13) . ?
C12 H12 0.9400 . ?
C13 H13 0.9400 . ?
C14 C19 1.377(7) . ?
C14 C15 1.387(7) . ?
C15 C16 1.398(9) . ?
C15 H15 0.9400 . ?
C16 C17 1.361(10) . ?
C16 H16 0.9400 . ?
C17 C18 1.323(10) . ?
C17 H17 0.9400 . ?
C18 C19 1.389(8) . ?
C18 H18 0.9400 . ?
C19 H19 0.9400 . ?
C20 C25 1.356(8) . ?
C20 C21 1.380(9) . ?
C21 C22 1.393(11) . ?
C21 H21 0.9400 . ?
C22 C23 1.382(17) . ?
C22 H22 0.9400 . ?
C23 C24 1.335(16) . ?
C23 H23 0.9400 . ?
C24 C25 1.373(11) . ?
C24 H24 0.9400 . ?
C25 H25 0.9400 . ?
C26 C27 1.349(7) . ?
C26 C31 1.421(7) . ?
C27 C28 1.385(9) . ?
C27 H27 0.9400 . ?
C28 C29 1.299(10) . ?
C28 H28 0.9400 . ?
C29 C30 1.392(10) . ?
C29 H29 0.9400 . ?
C30 C31 1.379(8) . ?
C30 H30 0.9400 . ?
C31 H31 0.9400 . ?
C32 C33 1.502(6) . ?
C33 C38 1.402(8) . ?
C33 C34 1.412(8) . ?
C34 C35 1.393(9) . ?
C35 C36 1.373(16) . ?
C35 H35 0.9400 . ?
C36 C37 1.352(17) . ?
C36 H36 0.9400 . ?
C37 C38 1.370(11) . ?
C37 H37 0.9400 . ?
C38 H38 0.9400 . ?
C39 C40 1.512(8) . ?
C40 C45 1.362(10) . ?
C40 C41 1.403(9) . ?
C41 C42 1.411(10) . ?
C42 C43 1.324(12) . ?
C42 H42 0.9400 . ?
C43 C44 1.375(14) . ?
C43 H43 0.9400 . ?
C44 C45 1.408(11) . ?
C44 H44 0.9400 . ?
C45 H45 0.9400 . ?

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
O1 Ag1 O2 102.29(12) . 3_766 ?
O1 Ag1 P1 124.07(9) . . ?
O2 Ag1 P1 133.18(9) 3_766 . ?
N2 Ag2 O4 84.81(14) . . ?
N2 Ag2 P2 132.86(9) . 3_666 ?
O4 Ag2 P2 127.84(12) . 3_666 ?
N2 Ag2 O2 87.42(12) . . ?
O4 Ag2 O2 88.08(13) . . ?
P2 Ag2 O2 121.73(8) 3_666 . ?
C14 P1 C8 104.7(2) . . ?
C14 P1 C1 103.8(2) . . ?
C8 P1 C1 100.9(2) . . ?
C14 P1 Ag1 115.69(15) . . ?
C8 P1 Ag1 114.48(17) . . ?
C1 P1 Ag1 115.55(14) . . ?
C26 P2 C20 102.7(2) . . ?
C26 P2 C2 103.1(2) . . ?
C20 P2 C2 104.4(2) . . ?
C26 P2 Ag2 117.70(16) . 3_666 ?
C20 P2 Ag2 116.74(19) . 3_666 ?
C2 P2 Ag2 110.56(14) . 3_666 ?
C3 N1 C1 120.2(3) . . ?
C3 N1 C2 121.6(4) . . ?
C1 N1 C2 116.7(4) . . ?
C7 N2 C6 118.5(4) . . ?
C7 N2 Ag2 121.3(3) . . ?
C6 N2 Ag2 120.1(3) . . ?
C32 O1 Ag1 116.6(3) . . ?
C32 O2 Ag1 130.3(3) . 3_766 ?
C32 O2 Ag2 124.2(3) . . ?
Ag1 O2 Ag2 101.27(12) 3_766 . ?
C34 O3 H3O 109.5 . . ?
C39 O4 Ag2 108.9(4) . . ?
C41 O6 H6O 109.5 . . ?
N1 C1 P1 112.5(3) . . ?
N1 C1 H1A 109.1 . . ?
P1 C1 H1A 109.1 . . ?
N1 C1 H1B 109.1 . . ?
P1 C1 H1B 109.1 . . ?
H1A C1 H1B 107.8 . . ?
N1 C2 P2 114.0(3) . . ?
N1 C2 H2A 108.7 . . ?
P2 C2 H2A 108.7 . . ?
N1 C2 H2B 108.7 . . ?
P2 C2 H2B 108.7 . . ?
H2A C2 H2B 107.6 . . ?
N1 C3 C4 122.6(4) . . ?
N1 C3 C7 121.7(4) . . ?
C4 C3 C7 115.7(4) . . ?
C5 C4 C3 119.8(5) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 121.2(4) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
N2 C6 C5 120.8(5) . . ?
N2 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
N2 C7 C3 124.0(4) . . ?
N2 C7 H7 118.0 . . ?
C3 C7 H7 118.0 . . ?
C13 C8 C9 117.6(6) . . ?
C13 C8 P1 119.5(5) . . ?
C9 C8 P1 122.9(5) . . ?
C8 C9 C10 120.4(8) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
C11 C10 C9 120.3(10) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C12 C11 C10 121.6(9) . . ?
C12 C11 H11 119.2 . . ?
C10 C11 H11 119.2 . . ?
C11 C12 C13 119.7(10) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
C8 C13 C12 120.2(9) . . ?
C8 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C19 C14 C15 118.2(5) . . ?
C19 C14 P1 118.8(4) . . ?
C15 C14 P1 123.0(4) . . ?
C14 C15 C16 119.2(6) . . ?
C14 C15 H15 120.4 . . ?
C16 C15 H15 120.4 . . ?
C17 C16 C15 121.0(7) . . ?
C17 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
C18 C17 C16 119.7(6) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C17 C18 C19 121.4(7) . . ?
C17 C18 H18 119.3 . . ?
C19 C18 H18 119.3 . . ?
C14 C19 C18 120.4(6) . . ?
C14 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C25 C20 C21 118.7(6) . . ?
C25 C20 P2 123.4(5) . . ?
C21 C20 P2 117.9(5) . . ?
C20 C21 C22 120.3(9) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C23 C22 C21 118.4(10) . . ?
C23 C22 H22 120.8 . . ?
C21 C22 H22 120.8 . . ?
C24 C23 C22 121.2(9) . . ?
C24 C23 H23 119.4 . . ?
C22 C23 H23 119.4 . . ?
C23 C24 C25 119.7(10) . . ?
C23 C24 H24 120.2 . . ?
C25 C24 H24 120.2 . . ?
C20 C25 C24 121.6(9) . . ?
C20 C25 H25 119.2 . . ?
C24 C25 H25 119.2 . . ?
C27 C26 C31 116.7(5) . . ?
C27 C26 P2 119.8(4) . . ?
C31 C26 P2 123.2(4) . . ?
C26 C27 C28 121.9(6) . . ?
C26 C27 H27 119.1 . . ?
C28 C27 H27 119.1 . . ?
C29 C28 C27 121.2(7) . . ?
C29 C28 H28 119.4 . . ?
C27 C28 H28 119.4 . . ?
C28 C29 C30 120.7(6) . . ?
C28 C29 H29 119.6 . . ?
C30 C29 H29 119.6 . . ?
C31 C30 C29 118.7(6) . . ?
C31 C30 H30 120.6 . . ?
C29 C30 H30 120.6 . . ?
C30 C31 C26 120.6(6) . . ?
C30 C31 H31 119.7 . . ?
C26 C31 H31 119.7 . . ?
O2 C32 O1 122.9(4) . . ?
O2 C32 C33 121.7(5) . . ?
O1 C32 C33 115.3(5) . . ?
C38 C33 C34 118.4(6) . . ?
C38 C33 C32 119.5(6) . . ?
C34 C33 C32 122.1(5) . . ?
O3 C34 C35 119.8(8) . . ?
O3 C34 C33 121.3(5) . . ?
C35 C34 C33 118.8(8) . . ?
C36 C35 C34 120.5(10) . . ?
C36 C35 H35 119.7 . . ?
C34 C35 H35 119.7 . . ?
C37 C36 C35 121.0(9) . . ?
C37 C36 H36 119.5 . . ?
C35 C36 H36 119.5 . . ?
C36 C37 C38 120.3(11) . . ?
C36 C37 H37 119.8 . . ?
C38 C37 H37 119.8 . . ?
C37 C38 C33 120.8(9) . . ?
C37 C38 H38 119.6 . . ?
C33 C38 H38 119.6 . . ?
O4 C39 O5 126.1(5) . . ?
O4 C39 C40 118.6(6) . . ?
O5 C39 C40 115.3(6) . . ?
C45 C40 C41 118.5(7) . . ?
C45 C40 C39 120.5(7) . . ?
C41 C40 C39 121.0(7) . . ?
O6 C41 C40 120.0(6) . . ?
O6 C41 C42 118.8(8) . . ?
C40 C41 C42 121.2(8) . . ?
C43 C42 C41 117.7(9) . . ?
C43 C42 H42 121.2 . . ?
C41 C42 H42 121.2 . . ?
C42 C43 C44 123.6(9) . . ?
C42 C43 H43 118.2 . . ?
C44 C43 H43 118.2 . . ?
C43 C44 C45 118.6(10) . . ?
C43 C44 H44 120.7 . . ?
C45 C44 H44 120.7 . . ?
C40 C45 C44 120.3(9) . . ?
C40 C45 H45 119.8 . . ?
C44 C45 H45 119.8 . . ?

_refine_diff_density_max         1.425
_refine_diff_density_min         -0.505
_refine_diff_density_rms         0.083

_shelxl_version_number           2013-2

