# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_Compound_I
_database_code_depnum_ccdc_archive 'CCDC 1533731'
_audit_update_record             
;
2017-02-20 deposited with the CCDC.
2017-05-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C52 H52 Ag2 N4 O6 P2'
_chemical_formula_sum            'C52 H52 Ag2 N4 O6 P2'
_chemical_formula_weight         1106.65

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           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

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

_cell_length_a                   25.3536(9)
_cell_length_b                   12.5349(3)
_cell_length_c                   21.7484(7)
_cell_angle_alpha                90
_cell_angle_beta                 133.372(2)
_cell_angle_gamma                90
_cell_volume                     5024.2(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    296
_cell_measurement_reflns_used    37375
_cell_measurement_theta_min      1.62
_cell_measurement_theta_max      28.04
_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.463
_exptl_crystal_F_000             2256
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.37
_exptl_absorpt_coefficient_mu    0.895
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.6040
_exptl_absorpt_correction_T_max  0.7746
_exptl_absorpt_process_details   '(X-RED32; Stoe & Cie, 2002)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            37375
_diffrn_reflns_av_unetI/netI     0.0156
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.888
_diffrn_reflns_theta_max         26.497
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             5215
_reflns_number_gt                4575
_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       'X-AREA (Stoe & Cie, 2002)'
_computing_cell_refinement       X-AREA
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2002)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX (Farrugia, 2012)'
_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)+(0.0384P)²+0.7204P] 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         5215
_refine_ls_number_parameters     298
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0324
_refine_ls_R_factor_gt           0.0260
_refine_ls_wR_factor_ref         0.0627
_refine_ls_wR_factor_gt          0.0610
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_restrained_S_all      1.093
_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
C1 C 0.31081(10) 0.64135(16) 0.72446(12) 0.0450(4) Uani 1 1 d . . . . .
C2 C 0.27670(13) 0.54349(18) 0.69189(15) 0.0579(5) Uani 1 1 d . . . . .
H2 H 0.290512 0.496647 0.671916 0.069 Uiso 1 1 calc R U . . .
C3 C 0.22216(16) 0.5147(2) 0.68875(19) 0.0732(7) Uani 1 1 d . . . . .
H3 H 0.198954 0.449200 0.665850 0.088 Uiso 1 1 calc R U . . .
C4 C 0.20244(14) 0.5822(3) 0.71926(18) 0.0745(7) Uani 1 1 d . . . . .
H4 H 0.166438 0.562254 0.718093 0.089 Uiso 1 1 calc R U . . .
C5 C 0.23584(15) 0.6800(3) 0.75177(19) 0.0761(7) Uani 1 1 d . . . . .
H5 H 0.221822 0.726492 0.771686 0.091 Uiso 1 1 calc R U . . .
C6 C 0.28993(13) 0.7089(2) 0.75479(17) 0.0657(6) Uani 1 1 d . . . . .
H6 H 0.312725 0.774639 0.777495 0.079 Uiso 1 1 calc R U . . .
C7 C 0.33972(10) 0.78603(16) 0.64771(12) 0.0450(4) Uani 1 1 d . . . . .
C8 C 0.26690(13) 0.8108(2) 0.59215(17) 0.0729(7) Uani 1 1 d . . . . .
H8 H 0.236373 0.772504 0.593651 0.088 Uiso 1 1 calc R U . . .
C9 C 0.23919(17) 0.8923(3) 0.5342(2) 0.0925(10) Uani 1 1 d . . . . .
H9 H 0.190030 0.908600 0.497110 0.111 Uiso 1 1 calc R U . . .
C10 C 0.28273(19) 0.9491(2) 0.5307(2) 0.0832(9) Uani 1 1 d . . . . .
H10 H 0.263623 1.004478 0.492026 0.100 Uiso 1 1 calc R U . . .
C11 C 0.35449(18) 0.9244(2) 0.5842(2) 0.0820(8) Uani 1 1 d . . . . .
H11 H 0.384657 0.962792 0.582157 0.098 Uiso 1 1 calc R U . . .
C12 C 0.38233(14) 0.8420(2) 0.64137(17) 0.0686(7) Uani 1 1 d . . . . .
H12 H 0.431069 0.824059 0.676412 0.082 Uiso 1 1 calc R U . . .
C13 C 0.45015(10) 0.74482(16) 0.82463(12) 0.0444(4) Uani 1 1 d . . . . .
C14 C 0.44451(14) 0.85102(19) 0.83786(16) 0.0647(6) Uani 1 1 d . . . . .
H14 H 0.404349 0.890969 0.793864 0.078 Uiso 1 1 calc R U . . .
C15 C 0.49843(18) 0.8975(2) 0.91624(19) 0.0816(8) Uani 1 1 d . . . . .
H15 H 0.494233 0.968493 0.924788 0.098 Uiso 1 1 calc R U . . .
C16 C 0.55770(16) 0.8398(3) 0.98102(17) 0.0801(8) Uani 1 1 d . . . . .
H16 H 0.594062 0.871675 1.033407 0.096 Uiso 1 1 calc R U . . .
C17 C 0.56366(13) 0.7355(3) 0.96903(16) 0.0739(7) Uani 1 1 d . . . . .
H17 H 0.603916 0.696173 1.013596 0.089 Uiso 1 1 calc R U . . .
C18 C 0.51023(11) 0.6873(2) 0.89095(14) 0.0558(5) Uani 1 1 d . . . . .
H18 H 0.514913 0.616116 0.883294 0.067 Uiso 1 1 calc R U . . .
C19 C 0.35146(10) 0.32944(16) 0.58281(13) 0.0477(4) Uani 1 1 d . . . . .
C20 C 0.38775(14) 0.2237(2) 0.52263(17) 0.0689(7) Uani 1 1 d . . . . .
C21 C 0.45490(12) 0.29180(19) 0.56970(15) 0.0580(6) Uani 1 1 d . . . . .
C22 C 0.46238(11) 0.37724(16) 0.62529(13) 0.0489(5) Uani 1 1 d . . . . .
C23 C 0.52197(15) 0.2195(2) 0.62509(19) 0.0744(7) Uani 1 1 d . . . . .
H23A H 0.516914 0.165226 0.589543 0.089 Uiso 1 1 calc R U . . .
H23B H 0.564366 0.261921 0.648955 0.089 Uiso 1 1 calc R U . . .
C24 C 0.53469(19) 0.1653(3) 0.6963(2) 0.0947(10) Uani 1 1 d . . . . .
H24A H 0.577398 0.121663 0.728020 0.114 Uiso 1 1 calc R U . . .
H24B H 0.541134 0.218283 0.732903 0.114 Uiso 1 1 calc R U . . .
H24C H 0.493618 0.121457 0.673412 0.114 Uiso 1 1 calc R U . . .
C25 C 0.45073(16) 0.3490(3) 0.50344(18) 0.0785(8) Uani 1 1 d . . . . .
H25A H 0.497213 0.382432 0.532477 0.094 Uiso 1 1 calc R U . . .
H25B H 0.442670 0.295897 0.465271 0.094 Uiso 1 1 calc R U . . .
C26 C 0.3920(2) 0.4330(3) 0.4516(2) 0.1074(12) Uani 1 1 d . . . . .
H26A H 0.393138 0.464396 0.412250 0.129 Uiso 1 1 calc R U . . .
H26B H 0.345510 0.400549 0.421159 0.129 Uiso 1 1 calc R U . . .
H26C H 0.400146 0.487233 0.488481 0.129 Uiso 1 1 calc R U . . .
N1 N 0.41155(8) 0.39221(13) 0.62798(10) 0.0454(4) Uani 1 1 d . . . . .
N2 N 0.34123(10) 0.25026(16) 0.53123(13) 0.0617(5) Uani 1 1 d . . . . .
H2A H 0.301550 0.214385 0.501755 0.074 Uiso 1 1 calc R U . . .
O1 O 0.30545(8) 0.34160(13) 0.58607(10) 0.0596(4) Uani 1 1 d . U . . .
O2 O 0.37489(12) 0.1501(2) 0.47840(17) 0.1126(9) Uani 1 1 d . U . . .
O3 O 0.51705(8) 0.43394(14) 0.66704(10) 0.0618(4) Uani 1 1 d . U . . .
P1 P 0.37993(2) 0.67785(4) 0.72368(3) 0.03972(11) Uani 1 1 d . . . . .
Ag1 Ag 0.41539(2) 0.52330(2) 0.69612(2) 0.04315(6) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C6 1.383(3) . ?
C1 C2 1.383(3) . ?
C1 P1 1.822(2) . ?
C2 C3 1.385(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.365(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.377(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.376(4) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.372(3) . ?
C7 C8 1.379(3) . ?
C7 P1 1.8151(19) . ?
C8 C9 1.382(4) . ?
C8 H8 0.9300 . ?
C9 C10 1.359(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.361(4) . ?
C10 H10 0.9300 . ?
C11 C12 1.380(4) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C18 1.380(3) . ?
C13 C14 1.390(3) . ?
C13 P1 1.8237(19) . ?
C14 C15 1.383(4) . ?
C14 H14 0.9300 . ?
C15 C16 1.363(4) . ?
C15 H15 0.9300 . ?
C16 C17 1.362(4) . ?
C16 H16 0.9300 . ?
C17 C18 1.387(3) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 O1 1.226(3) . ?
C19 N1 1.360(2) . ?
C19 N2 1.382(3) . ?
C20 O2 1.205(3) . ?
C20 N2 1.356(3) . ?
C20 C21 1.510(3) . ?
C21 C22 1.526(3) . ?
C21 C23 1.533(4) . ?
C21 C25 1.547(4) . ?
C22 O3 1.234(2) . ?
C22 N1 1.343(3) . ?
C23 C24 1.511(5) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.513(5) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
N1 Ag1 2.1697(15) . ?
N2 H2A 0.8600 . ?
O3 Ag1 2.4584(15) 2_656 ?
P1 Ag1 2.3792(5) . ?
Ag1 Ag1 3.1765(3) 2_656 ?

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
C6 C1 C2 118.5(2) . . ?
C6 C1 P1 122.42(17) . . ?
C2 C1 P1 119.01(16) . . ?
C1 C2 C3 120.6(2) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 H2 119.7 . . ?
C4 C3 C2 120.0(3) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 120.0(2) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C6 C5 C4 120.0(3) . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C6 C1 120.8(2) . . ?
C5 C6 H6 119.6 . . ?
C1 C6 H6 119.6 . . ?
C12 C7 C8 118.0(2) . . ?
C12 C7 P1 118.99(16) . . ?
C8 C7 P1 122.87(18) . . ?
C7 C8 C9 120.1(3) . . ?
C7 C8 H8 119.9 . . ?
C9 C8 H8 119.9 . . ?
C10 C9 C8 121.0(3) . . ?
C10 C9 H9 119.5 . . ?
C8 C9 H9 119.5 . . ?
C9 C10 C11 119.6(3) . . ?
C9 C10 H10 120.2 . . ?
C11 C10 H10 120.2 . . ?
C10 C11 C12 119.8(3) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C7 C12 C11 121.5(2) . . ?
C7 C12 H12 119.3 . . ?
C11 C12 H12 119.3 . . ?
C18 C13 C14 118.7(2) . . ?
C18 C13 P1 118.83(16) . . ?
C14 C13 P1 122.40(17) . . ?
C15 C14 C13 120.2(2) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C16 C15 C14 120.3(3) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C17 C16 C15 120.0(2) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C16 C17 C18 120.6(3) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 H17 119.7 . . ?
C13 C18 C17 120.1(2) . . ?
C13 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
O1 C19 N1 121.65(18) . . ?
O1 C19 N2 118.72(18) . . ?
N1 C19 N2 119.63(18) . . ?
O2 C20 N2 120.9(2) . . ?
O2 C20 C21 122.3(2) . . ?
N2 C20 C21 116.74(19) . . ?
C20 C21 C22 113.73(18) . . ?
C20 C21 C23 108.9(2) . . ?
C22 C21 C23 108.96(19) . . ?
C20 C21 C25 107.8(2) . . ?
C22 C21 C25 107.7(2) . . ?
C23 C21 C25 109.6(2) . . ?
O3 C22 N1 120.94(18) . . ?
O3 C22 C21 116.93(19) . . ?
N1 C22 C21 122.12(17) . . ?
C24 C23 C21 114.3(2) . . ?
C24 C23 H23A 108.7 . . ?
C21 C23 H23A 108.7 . . ?
C24 C23 H23B 108.7 . . ?
C21 C23 H23B 108.7 . . ?
H23A C23 H23B 107.6 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C21 114.8(3) . . ?
C26 C25 H25A 108.6 . . ?
C21 C25 H25A 108.6 . . ?
C26 C25 H25B 108.6 . . ?
C21 C25 H25B 108.6 . . ?
H25A C25 H25B 107.5 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 N1 C19 121.34(17) . . ?
C22 N1 Ag1 122.78(13) . . ?
C19 N1 Ag1 115.73(13) . . ?
C20 N2 C19 126.28(18) . . ?
C20 N2 H2A 116.9 . . ?
C19 N2 H2A 116.9 . . ?
C22 O3 Ag1 130.56(14) . 2_656 ?
C7 P1 C1 104.68(9) . . ?
C7 P1 C13 103.04(9) . . ?
C1 P1 C13 104.74(9) . . ?
C7 P1 Ag1 116.88(6) . . ?
C1 P1 Ag1 109.26(7) . . ?
C13 P1 Ag1 116.92(6) . . ?
N1 Ag1 P1 160.26(4) . . ?
N1 Ag1 O3 98.56(6) . 2_656 ?
P1 Ag1 O3 97.81(4) . 2_656 ?
N1 Ag1 Ag1 84.73(4) . 2_656 ?
P1 Ag1 Ag1 111.513(12) . 2_656 ?
O3 Ag1 Ag1 69.00(4) 2_656 2_656 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 0.9(4) . . . . ?
P1 C1 C2 C3 -177.7(2) . . . . ?
C1 C2 C3 C4 -1.1(4) . . . . ?
C2 C3 C4 C5 1.2(4) . . . . ?
C3 C4 C5 C6 -1.1(5) . . . . ?
C4 C5 C6 C1 0.8(4) . . . . ?
C2 C1 C6 C5 -0.7(4) . . . . ?
P1 C1 C6 C5 177.8(2) . . . . ?
C12 C7 C8 C9 -2.2(4) . . . . ?
P1 C7 C8 C9 -178.3(2) . . . . ?
C7 C8 C9 C10 0.2(5) . . . . ?
C8 C9 C10 C11 0.9(5) . . . . ?
C9 C10 C11 C12 0.0(5) . . . . ?
C8 C7 C12 C11 3.2(4) . . . . ?
P1 C7 C12 C11 179.4(2) . . . . ?
C10 C11 C12 C7 -2.1(5) . . . . ?
C18 C13 C14 C15 0.1(4) . . . . ?
P1 C13 C14 C15 178.4(2) . . . . ?
C13 C14 C15 C16 0.3(4) . . . . ?
C14 C15 C16 C17 -0.7(5) . . . . ?
C15 C16 C17 C18 0.8(5) . . . . ?
C14 C13 C18 C17 -0.1(3) . . . . ?
P1 C13 C18 C17 -178.46(19) . . . . ?
C16 C17 C18 C13 -0.3(4) . . . . ?
O2 C20 C21 C22 -177.2(3) . . . . ?
N2 C20 C21 C22 3.8(4) . . . . ?
O2 C20 C21 C23 -55.5(4) . . . . ?
N2 C20 C21 C23 125.5(3) . . . . ?
O2 C20 C21 C25 63.4(4) . . . . ?
N2 C20 C21 C25 -115.6(3) . . . . ?
C20 C21 C22 O3 178.3(2) . . . . ?
C23 C21 C22 O3 56.6(3) . . . . ?
C25 C21 C22 O3 -62.2(3) . . . . ?
C20 C21 C22 N1 -2.9(3) . . . . ?
C23 C21 C22 N1 -124.7(2) . . . . ?
C25 C21 C22 N1 116.5(2) . . . . ?
C20 C21 C23 C24 -66.4(3) . . . . ?
C22 C21 C23 C24 58.2(3) . . . . ?
C25 C21 C23 C24 175.9(2) . . . . ?
C20 C21 C25 C26 68.6(3) . . . . ?
C22 C21 C25 C26 -54.5(3) . . . . ?
C23 C21 C25 C26 -172.9(2) . . . . ?
O3 C22 N1 C19 -179.3(2) . . . . ?
C21 C22 N1 C19 1.9(3) . . . . ?
O3 C22 N1 Ag1 5.3(3) . . . . ?
C21 C22 N1 Ag1 -173.46(16) . . . . ?
O1 C19 N1 C22 178.8(2) . . . . ?
N2 C19 N1 C22 -1.7(3) . . . . ?
O1 C19 N1 Ag1 -5.5(3) . . . . ?
N2 C19 N1 Ag1 173.99(15) . . . . ?
O2 C20 N2 C19 176.9(3) . . . . ?
C21 C20 N2 C19 -4.2(4) . . . . ?
O1 C19 N2 C20 -177.5(3) . . . . ?
N1 C19 N2 C20 3.0(4) . . . . ?
N1 C22 O3 Ag1 30.9(3) . . . 2_656 ?
C21 C22 O3 Ag1 -150.29(17) . . . 2_656 ?
C12 C7 P1 C1 170.64(19) . . . . ?
C8 C7 P1 C1 -13.4(2) . . . . ?
C12 C7 P1 C13 61.3(2) . . . . ?
C8 C7 P1 C13 -122.7(2) . . . . ?
C12 C7 P1 Ag1 -68.4(2) . . . . ?
C8 C7 P1 Ag1 107.6(2) . . . . ?
C6 C1 P1 C7 -67.0(2) . . . . ?
C2 C1 P1 C7 111.54(18) . . . . ?
C6 C1 P1 C13 41.1(2) . . . . ?
C2 C1 P1 C13 -140.39(17) . . . . ?
C6 C1 P1 Ag1 167.06(18) . . . . ?
C2 C1 P1 Ag1 -14.38(18) . . . . ?
C18 C13 P1 C7 -152.95(17) . . . . ?
C14 C13 P1 C7 28.7(2) . . . . ?
C18 C13 P1 C1 97.79(18) . . . . ?
C14 C13 P1 C1 -80.6(2) . . . . ?
C18 C13 P1 Ag1 -23.3(2) . . . . ?
C14 C13 P1 Ag1 158.37(17) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C18 H18 O3 0.93 2.42 3.310(3) 160.5 2_656
N2 H2A O1 0.86 2.09 2.938(2) 167.1 7_556

_refine_diff_density_max         0.301
_refine_diff_density_min         -0.696
_refine_diff_density_rms         0.074

####################################################################### 
# 
# 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_Compound_III
_database_code_depnum_ccdc_archive 'CCDC 1533729'
_audit_update_record             
;
2017-02-20 deposited with the CCDC.
2017-05-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C26 H37 Ag N2 O3 P'
_chemical_formula_sum            'C26 H37 Ag N2 O3 P'
_chemical_formula_weight         564.41

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                   10.6971(5)
_cell_length_b                   11.8519(5)
_cell_length_c                   12.6449(6)
_cell_angle_alpha                63.398(3)
_cell_angle_beta                 73.689(4)
_cell_angle_gamma                89.817(4)
_cell_volume                     1361.63(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    296
_cell_measurement_reflns_used    19577
_cell_measurement_theta_min      1.90
_cell_measurement_theta_max      28.00

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.377
_exptl_crystal_F_000             586
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.14
_exptl_absorpt_coefficient_mu    0.827
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.4734
_exptl_absorpt_correction_T_max  0.8099
_exptl_absorpt_process_details   '(X-RED32; Stoe & Cie, 2002)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'w scan rotation'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            19577
_diffrn_reflns_av_unetI/netI     0.0426
_diffrn_reflns_av_R_equivalents  0.0505
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.896
_diffrn_reflns_theta_max         27.588
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             6246
_reflns_number_gt                4794
_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       'X-AREA (Stoe & Cie, 2002)'
_computing_cell_refinement       X-AREA
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2002)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX (Farrugia, 2012)'
_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)+(0.0589P)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         6246
_refine_ls_number_parameters     283
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0605
_refine_ls_R_factor_gt           0.0430
_refine_ls_wR_factor_ref         0.1129
_refine_ls_wR_factor_gt          0.1068
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_restrained_S_all      1.073
_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
C1 C 0.6023(3) 0.2322(3) 0.8804(4) 0.0679(9) Uani 1 1 d . . . . .
C7 C 0.7060(3) 0.4901(3) 0.6808(4) 0.0646(8) Uani 1 1 d . . . . .
C13 C 0.8892(3) 0.3149(3) 0.7786(3) 0.0572(7) Uani 1 1 d . . . . .
H13 H 0.879007 0.346476 0.839749 0.069 Uiso 1 1 calc R U . . .
C14 C 1.0038(3) 0.3985(3) 0.6633(4) 0.0716(10) Uani 1 1 d . . . . .
H14A H 1.010199 0.372187 0.599726 0.086 Uiso 1 1 calc R U . . .
H14B H 0.987498 0.486375 0.630663 0.086 Uiso 1 1 calc R U . . .
C15 C 1.1328(4) 0.3894(4) 0.6924(5) 0.0934(14) Uani 1 1 d . . . . .
H15A H 1.203796 0.442035 0.616770 0.112 Uiso 1 1 calc R U . . .
H15B H 1.128859 0.421586 0.751367 0.112 Uiso 1 1 calc R U . . .
C16 C 1.1608(4) 0.2545(4) 0.7458(4) 0.0867(12) Uani 1 1 d . . . . .
H16A H 1.241675 0.251092 0.766826 0.104 Uiso 1 1 calc R U . . .
H16B H 1.172929 0.224961 0.683843 0.104 Uiso 1 1 calc R U . . .
C17 C 1.0502(4) 0.1683(5) 0.8603(4) 0.0899(14) Uani 1 1 d . . . . .
H17A H 1.046089 0.190712 0.926014 0.108 Uiso 1 1 calc R U . . .
H17B H 1.067643 0.080865 0.888583 0.108 Uiso 1 1 calc R U . . .
C18 C 0.9173(3) 0.1781(4) 0.8356(4) 0.0740(10) Uani 1 1 d . . . . .
H18A H 0.916616 0.142852 0.779747 0.089 Uiso 1 1 calc R U . . .
H18B H 0.847929 0.127738 0.913367 0.089 Uiso 1 1 calc R U . . .
C19 C 0.6661(3) 0.1137(3) 0.4693(3) 0.0552(7) Uani 1 1 d . . . . .
C20 C 0.7679(4) 0.1185(4) 0.2678(3) 0.0693(9) Uani 1 1 d . . . . .
C21 C 0.8847(4) 0.2086(4) 0.2447(4) 0.0785(11) Uani 1 1 d . . . . .
C22 C 0.8733(4) 0.2441(4) 0.3486(4) 0.0714(9) Uani 1 1 d . . . . .
C23 C 1.0096(5) 0.1455(7) 0.2275(6) 0.1127(17) Uani 1 1 d . U . . .
H23A H 1.019075 0.125243 0.159561 0.135 Uiso 1 1 calc R U . . .
H23B H 1.085588 0.205805 0.204408 0.135 Uiso 1 1 calc R U . . .
C24 C 1.0080(7) 0.0310(7) 0.3372(7) 0.136(2) Uani 1 1 d . U . . .
H24A H 1.002226 0.050829 0.404082 0.204 Uiso 1 1 calc R U . . .
H24B H 1.087340 -0.004722 0.320524 0.204 Uiso 1 1 calc R U . . .
H24C H 0.933356 -0.029482 0.360405 0.204 Uiso 1 1 calc R U . . .
C25 C 0.8981(6) 0.3338(6) 0.1222(5) 0.1161(19) Uani 1 1 d . U . . .
H25A H 0.976727 0.389110 0.102810 0.139 Uiso 1 1 calc R U . . .
H25B H 0.909845 0.312407 0.054789 0.139 Uiso 1 1 calc R U . . .
C26 C 0.7833(7) 0.4062(6) 0.1272(6) 0.135(2) Uani 1 1 d . U . . .
H26A H 0.709069 0.360231 0.127943 0.202 Uiso 1 1 calc R U . . .
H26B H 0.805817 0.488725 0.055476 0.202 Uiso 1 1 calc R U . . .
H26C H 0.761539 0.415989 0.201347 0.202 Uiso 1 1 calc R U . . .
N1 N 0.7673(3) 0.1955(3) 0.4519(3) 0.0592(6) Uani 1 1 d . . . . .
N2 N 0.6696(3) 0.0802(3) 0.3770(2) 0.0609(6) Uani 1 1 d . . . . .
H2 H 0.602779 0.030086 0.390072 0.073 Uiso 1 1 calc R U . . .
O1 O 0.5719(2) 0.0706(2) 0.5640(2) 0.0704(6) Uani 1 1 d . . . . .
O2 O 0.7618(3) 0.0835(3) 0.1933(3) 0.0919(9) Uani 1 1 d . . . . .
O3 O 0.9621(3) 0.3173(3) 0.3371(3) 0.1026(10) Uani 1 1 d . . . . .
P1 P 0.73707(8) 0.32391(7) 0.73722(8) 0.05356(19) Uani 1 1 d . . . . .
Ag1 Ag 0.75286(3) 0.25462(2) 0.58830(2) 0.06065(11) Uani 1 1 d . . . . .
C2A C 0.4701(13) 0.2241(13) 0.8716(15) 0.0931(10) Uani 0.385(4) 1 d . . P A 1
H2A1 H 0.468754 0.184899 0.818979 0.112 Uiso 0.385(4) 1 calc R U P A 1
H2A2 H 0.448492 0.309667 0.831934 0.112 Uiso 0.385(4) 1 calc R U P A 1
C3A C 0.3642(13) 0.1469(13) 0.9990(15) 0.0931(10) Uani 0.385(4) 1 d . . P A 1
H3A1 H 0.278928 0.147665 0.986176 0.112 Uiso 0.385(4) 1 calc R U P A 1
H3A2 H 0.380730 0.059021 1.034141 0.112 Uiso 0.385(4) 1 calc R U P A 1
C4A C 0.3592(12) 0.1913(12) 1.0841(14) 0.0931(10) Uani 0.385(4) 1 d . . P A 1
H4A1 H 0.298209 0.131729 1.164163 0.112 Uiso 0.385(4) 1 calc R U P A 1
H4A2 H 0.325922 0.272443 1.057112 0.112 Uiso 0.385(4) 1 calc R U P A 1
C5A C 0.4951(11) 0.2085(13) 1.0997(14) 0.0931(10) Uani 0.385(4) 1 d . . P A 1
H5A1 H 0.488066 0.248312 1.153118 0.112 Uiso 0.385(4) 1 calc R U P A 1
H5A2 H 0.522276 0.125623 1.139504 0.112 Uiso 0.385(4) 1 calc R U P A 1
C6A C 0.5981(12) 0.2903(12) 0.9748(13) 0.0931(10) Uani 0.385(4) 1 d . . P A 1
H6A1 H 0.683764 0.293199 0.986262 0.112 Uiso 0.385(4) 1 calc R U P A 1
H6A2 H 0.577318 0.376629 0.939788 0.112 Uiso 0.385(4) 1 calc R U P A 1
C8A C 0.6104(14) 0.5228(16) 0.6145(14) 0.0837(8) Uani 0.385(4) 1 d . . P A 1
H8A H 0.570613 0.458450 0.606881 0.100 Uiso 0.385(4) 1 calc R U P A 1
C9A C 0.5739(15) 0.6414(14) 0.5622(13) 0.0837(8) Uani 0.385(4) 1 d . . P A 1
H9A H 0.515690 0.660454 0.516053 0.100 Uiso 0.385(4) 1 calc R U P A 1
C10A C 0.6306(11) 0.7301(11) 0.5835(12) 0.0837(8) Uani 0.385(4) 1 d . . P A 1
H10A H 0.605452 0.811012 0.553702 0.100 Uiso 0.385(4) 1 calc R U P A 1
C11A C 0.7209(11) 0.7073(12) 0.6451(12) 0.0837(8) Uani 0.385(4) 1 d . . P A 1
H11A H 0.759382 0.771180 0.654341 0.100 Uiso 0.385(4) 1 calc R U P A 1
C12A C 0.7547(11) 0.5792(11) 0.6960(12) 0.0837(8) Uani 0.385(4) 1 d . . P A 1
H12A H 0.813739 0.560578 0.741335 0.100 Uiso 0.385(4) 1 calc R U P A 1
C2B C 0.5839(9) 0.5103(10) 0.6451(11) 0.0931(10) Uani 0.615(4) 1 d . . P A 2
H2B1 H 0.508339 0.459567 0.716884 0.112 Uiso 0.615(4) 1 calc R U P A 2
H2B2 H 0.588375 0.484419 0.581558 0.112 Uiso 0.615(4) 1 calc R U P A 2
C3B C 0.5699(11) 0.6537(9) 0.5947(10) 0.0931(10) Uani 0.615(4) 1 d . . P A 2
H3B1 H 0.638145 0.701059 0.515402 0.112 Uiso 0.615(4) 1 calc R U P A 2
H3B2 H 0.485747 0.665650 0.579278 0.112 Uiso 0.615(4) 1 calc R U P A 2
C4B C 0.5782(8) 0.7074(7) 0.6753(9) 0.0931(10) Uani 0.615(4) 1 d . . P A 2
H4B1 H 0.499859 0.673065 0.747466 0.112 Uiso 0.615(4) 1 calc R U P A 2
H4B2 H 0.579739 0.798922 0.631261 0.112 Uiso 0.615(4) 1 calc R U P A 2
C5B C 0.6985(8) 0.6807(7) 0.7190(10) 0.0931(10) Uani 0.615(4) 1 d . . P A 2
H5B1 H 0.776540 0.728959 0.649097 0.112 Uiso 0.615(4) 1 calc R U P A 2
H5B2 H 0.691958 0.709184 0.781033 0.112 Uiso 0.615(4) 1 calc R U P A 2
C6B C 0.7125(8) 0.5404(7) 0.7741(10) 0.0931(10) Uani 0.615(4) 1 d . . P A 2
H6B1 H 0.642327 0.493110 0.852015 0.112 Uiso 0.615(4) 1 calc R U P A 2
H6B2 H 0.795855 0.528300 0.791076 0.112 Uiso 0.615(4) 1 calc R U P A 2
C8B C 0.4909(8) 0.1848(7) 0.8611(8) 0.0837(8) Uani 0.615(4) 1 d . . P A 2
H8B H 0.492984 0.199589 0.781862 0.100 Uiso 0.615(4) 1 calc R U P A 2
C9B C 0.3788(8) 0.1157(7) 0.9649(7) 0.0837(8) Uani 0.615(4) 1 d . . P A 2
H9B H 0.305032 0.084253 0.955890 0.100 Uiso 0.615(4) 1 calc R U P A 2
C10B C 0.3819(7) 0.0961(7) 1.0795(7) 0.0837(8) Uani 0.615(4) 1 d . . P A 2
H10B H 0.306540 0.054928 1.147568 0.100 Uiso 0.615(4) 1 calc R U P A 2
C11B C 0.4908(7) 0.1344(7) 1.0983(7) 0.0837(8) Uani 0.615(4) 1 d . . P A 2
H11B H 0.492294 0.114414 1.177940 0.100 Uiso 0.615(4) 1 calc R U P A 2
C12B C 0.6007(7) 0.2051(7) 0.9928(7) 0.0837(8) Uani 0.615(4) 1 d . . P A 2
H12B H 0.674773 0.233538 1.003743 0.100 Uiso 0.615(4) 1 calc R U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C12B 1.304(9) . ?
C1 C8B 1.444(9) . ?
C1 C2A 1.456(14) . ?
C1 C6A 1.614(15) . ?
C1 P1 1.822(4) . ?
C7 C12A 1.290(13) . ?
C7 C8A 1.444(19) . ?
C7 C2B 1.483(12) . ?
C7 C6B 1.559(10) . ?
C7 P1 1.836(3) . ?
C13 C18 1.520(5) . ?
C13 C14 1.524(5) . ?
C13 P1 1.833(3) . ?
C13 H13 0.9800 . ?
C14 C15 1.516(6) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.498(6) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C17 1.504(6) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.532(5) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 O1 1.220(4) . ?
C19 N1 1.357(4) . ?
C19 N2 1.382(4) . ?
C20 O2 1.204(5) . ?
C20 N2 1.359(4) . ?
C20 C21 1.521(5) . ?
C21 C22 1.522(6) . ?
C21 C23 1.539(7) . ?
C21 C25 1.562(7) . ?
C22 O3 1.222(5) . ?
C22 N1 1.350(5) . ?
C23 C24 1.438(9) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.498(8) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
N1 Ag1 2.104(3) . ?
N2 H2 0.8600 . ?
P1 Ag1 2.3355(9) . ?
C2A C3A 1.54(2) . ?
C2A H2A1 0.9700 . ?
C2A H2A2 0.9700 . ?
C3A C4A 1.38(2) . ?
C3A H3A1 0.9700 . ?
C3A H3A2 0.9700 . ?
C4A C5A 1.546(17) . ?
C4A H4A1 0.9700 . ?
C4A H4A2 0.9700 . ?
C5A C6A 1.518(19) . ?
C5A H5A1 0.9700 . ?
C5A H5A2 0.9700 . ?
C6A H6A1 0.9700 . ?
C6A H6A2 0.9700 . ?
C8A C9A 1.37(2) . ?
C8A H8A 0.9300 . ?
C9A C10A 1.38(2) . ?
C9A H9A 0.9300 . ?
C10A C11A 1.359(17) . ?
C10A H10A 0.9300 . ?
C11A C12A 1.449(16) . ?
C11A H11A 0.9300 . ?
C12A H12A 0.9300 . ?
C2B C3B 1.549(14) . ?
C2B H2B1 0.9700 . ?
C2B H2B2 0.9700 . ?
C3B C4B 1.443(12) . ?
C3B H3B1 0.9700 . ?
C3B H3B2 0.9700 . ?
C4B C5B 1.517(11) . ?
C4B H4B1 0.9700 . ?
C4B H4B2 0.9700 . ?
C5B C6B 1.514(10) . ?
C5B H5B1 0.9700 . ?
C5B H5B2 0.9700 . ?
C6B H6B1 0.9700 . ?
C6B H6B2 0.9700 . ?
C8B C9B 1.411(10) . ?
C8B H8B 0.9300 . ?
C9B C10B 1.371(12) . ?
C9B H9B 0.9300 . ?
C10B C11B 1.370(11) . ?
C10B H10B 0.9300 . ?
C11B C12B 1.410(10) . ?
C11B H11B 0.9300 . ?
C12B H12B 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
C12B C1 C8B 120.1(5) . . ?
C2A C1 C6A 107.3(8) . . ?
C12B C1 P1 126.4(4) . . ?
C8B C1 P1 113.5(4) . . ?
C2A C1 P1 118.1(7) . . ?
C6A C1 P1 108.8(5) . . ?
C12A C7 C8A 116.4(10) . . ?
C2B C7 C6B 113.4(6) . . ?
C12A C7 P1 128.7(6) . . ?
C8A C7 P1 114.9(8) . . ?
C2B C7 P1 112.6(5) . . ?
C6B C7 P1 111.2(4) . . ?
C18 C13 C14 109.9(3) . . ?
C18 C13 P1 110.8(2) . . ?
C14 C13 P1 109.8(2) . . ?
C18 C13 H13 108.8 . . ?
C14 C13 H13 108.8 . . ?
P1 C13 H13 108.8 . . ?
C15 C14 C13 111.5(3) . . ?
C15 C14 H14A 109.3 . . ?
C13 C14 H14A 109.3 . . ?
C15 C14 H14B 109.3 . . ?
C13 C14 H14B 109.3 . . ?
H14A C14 H14B 108.0 . . ?
C16 C15 C14 111.2(4) . . ?
C16 C15 H15A 109.4 . . ?
C14 C15 H15A 109.4 . . ?
C16 C15 H15B 109.4 . . ?
C14 C15 H15B 109.4 . . ?
H15A C15 H15B 108.0 . . ?
C15 C16 C17 111.2(4) . . ?
C15 C16 H16A 109.4 . . ?
C17 C16 H16A 109.4 . . ?
C15 C16 H16B 109.4 . . ?
C17 C16 H16B 109.4 . . ?
H16A C16 H16B 108.0 . . ?
C16 C17 C18 111.9(3) . . ?
C16 C17 H17A 109.2 . . ?
C18 C17 H17A 109.2 . . ?
C16 C17 H17B 109.2 . . ?
C18 C17 H17B 109.2 . . ?
H17A C17 H17B 107.9 . . ?
C13 C18 C17 112.3(3) . . ?
C13 C18 H18A 109.1 . . ?
C17 C18 H18A 109.1 . . ?
C13 C18 H18B 109.1 . . ?
C17 C18 H18B 109.1 . . ?
H18A C18 H18B 107.9 . . ?
O1 C19 N1 121.2(3) . . ?
O1 C19 N2 119.7(3) . . ?
N1 C19 N2 119.1(3) . . ?
O2 C20 N2 121.5(4) . . ?
O2 C20 C21 122.1(3) . . ?
N2 C20 C21 116.3(3) . . ?
C20 C21 C22 114.4(3) . . ?
C20 C21 C23 108.5(4) . . ?
C22 C21 C23 108.5(4) . . ?
C20 C21 C25 107.9(4) . . ?
C22 C21 C25 108.2(4) . . ?
C23 C21 C25 109.2(4) . . ?
O3 C22 N1 120.3(4) . . ?
O3 C22 C21 118.8(3) . . ?
N1 C22 C21 120.9(3) . . ?
C24 C23 C21 113.2(5) . . ?
C24 C23 H23A 108.9 . . ?
C21 C23 H23A 108.9 . . ?
C24 C23 H23B 108.9 . . ?
C21 C23 H23B 108.9 . . ?
H23A C23 H23B 107.7 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C21 114.7(4) . . ?
C26 C25 H25A 108.6 . . ?
C21 C25 H25A 108.6 . . ?
C26 C25 H25B 108.6 . . ?
C21 C25 H25B 108.6 . . ?
H25A C25 H25B 107.6 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 N1 C19 122.7(3) . . ?
C22 N1 Ag1 119.1(2) . . ?
C19 N1 Ag1 118.2(2) . . ?
C20 N2 C19 126.6(3) . . ?
C20 N2 H2 116.7 . . ?
C19 N2 H2 116.7 . . ?
C1 P1 C13 107.66(16) . . ?
C1 P1 C7 105.56(16) . . ?
C13 P1 C7 107.16(16) . . ?
C1 P1 Ag1 112.95(14) . . ?
C13 P1 Ag1 111.46(11) . . ?
C7 P1 Ag1 111.69(13) . . ?
N1 Ag1 P1 179.02(8) . . ?
C1 C2A C3A 113.2(12) . . ?
C1 C2A H2A1 108.9 . . ?
C3A C2A H2A1 108.9 . . ?
C1 C2A H2A2 108.9 . . ?
C3A C2A H2A2 108.9 . . ?
H2A1 C2A H2A2 107.7 . . ?
C4A C3A C2A 114.5(12) . . ?
C4A C3A H3A1 108.6 . . ?
C2A C3A H3A1 108.6 . . ?
C4A C3A H3A2 108.6 . . ?
C2A C3A H3A2 108.6 . . ?
H3A1 C3A H3A2 107.6 . . ?
C3A C4A C5A 112.7(11) . . ?
C3A C4A H4A1 109.1 . . ?
C5A C4A H4A1 109.1 . . ?
C3A C4A H4A2 109.1 . . ?
C5A C4A H4A2 109.1 . . ?
H4A1 C4A H4A2 107.8 . . ?
C6A C5A C4A 111.3(12) . . ?
C6A C5A H5A1 109.4 . . ?
C4A C5A H5A1 109.4 . . ?
C6A C5A H5A2 109.4 . . ?
C4A C5A H5A2 109.4 . . ?
H5A1 C5A H5A2 108.0 . . ?
C5A C6A C1 110.1(10) . . ?
C5A C6A H6A1 109.6 . . ?
C1 C6A H6A1 109.6 . . ?
C5A C6A H6A2 109.6 . . ?
C1 C6A H6A2 109.6 . . ?
H6A1 C6A H6A2 108.1 . . ?
C9A C8A C7 125.0(15) . . ?
C9A C8A H8A 117.5 . . ?
C7 C8A H8A 117.5 . . ?
C8A C9A C10A 114.4(14) . . ?
C8A C9A H9A 122.8 . . ?
C10A C9A H9A 122.8 . . ?
C11A C10A C9A 124.3(12) . . ?
C11A C10A H10A 117.9 . . ?
C9A C10A H10A 117.9 . . ?
C10A C11A C12A 117.3(12) . . ?
C10A C11A H11A 121.3 . . ?
C12A C11A H11A 121.3 . . ?
C7 C12A C11A 122.5(11) . . ?
C7 C12A H12A 118.8 . . ?
C11A C12A H12A 118.8 . . ?
C7 C2B C3B 108.4(8) . . ?
C7 C2B H2B1 110.0 . . ?
C3B C2B H2B1 110.0 . . ?
C7 C2B H2B2 110.0 . . ?
C3B C2B H2B2 110.0 . . ?
H2B1 C2B H2B2 108.4 . . ?
C4B C3B C2B 115.3(9) . . ?
C4B C3B H3B1 108.5 . . ?
C2B C3B H3B1 108.5 . . ?
C4B C3B H3B2 108.5 . . ?
C2B C3B H3B2 108.5 . . ?
H3B1 C3B H3B2 107.5 . . ?
C3B C4B C5B 113.5(7) . . ?
C3B C4B H4B1 108.9 . . ?
C5B C4B H4B1 108.9 . . ?
C3B C4B H4B2 108.9 . . ?
C5B C4B H4B2 108.9 . . ?
H4B1 C4B H4B2 107.7 . . ?
C6B C5B C4B 112.0(7) . . ?
C6B C5B H5B1 109.2 . . ?
C4B C5B H5B1 109.2 . . ?
C6B C5B H5B2 109.2 . . ?
C4B C5B H5B2 109.2 . . ?
H5B1 C5B H5B2 107.9 . . ?
C5B C6B C7 109.5(7) . . ?
C5B C6B H6B1 109.8 . . ?
C7 C6B H6B1 109.8 . . ?
C5B C6B H6B2 109.8 . . ?
C7 C6B H6B2 109.8 . . ?
H6B1 C6B H6B2 108.2 . . ?
C9B C8B C1 118.6(8) . . ?
C9B C8B H8B 120.7 . . ?
C1 C8B H8B 120.7 . . ?
C10B C9B C8B 118.1(8) . . ?
C10B C9B H9B 121.0 . . ?
C8B C9B H9B 121.0 . . ?
C11B C10B C9B 123.0(7) . . ?
C11B C10B H10B 118.5 . . ?
C9B C10B H10B 118.5 . . ?
C10B C11B C12B 117.7(8) . . ?
C10B C11B H11B 121.2 . . ?
C12B C11B H11B 121.2 . . ?
C1 C12B C11B 122.4(7) . . ?
C1 C12B H12B 118.8 . . ?
C11B C12B H12B 118.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C18 C13 C14 C15 -55.4(4) . . . . ?
P1 C13 C14 C15 -177.6(3) . . . . ?
C13 C14 C15 C16 57.8(5) . . . . ?
C14 C15 C16 C17 -56.6(6) . . . . ?
C15 C16 C17 C18 54.2(6) . . . . ?
C14 C13 C18 C17 53.1(4) . . . . ?
P1 C13 C18 C17 174.7(3) . . . . ?
C16 C17 C18 C13 -53.2(6) . . . . ?
O2 C20 C21 C22 178.9(4) . . . . ?
N2 C20 C21 C22 -0.6(5) . . . . ?
O2 C20 C21 C23 -59.8(6) . . . . ?
N2 C20 C21 C23 120.7(4) . . . . ?
O2 C20 C21 C25 58.4(6) . . . . ?
N2 C20 C21 C25 -121.1(4) . . . . ?
C20 C21 C22 O3 -179.2(4) . . . . ?
C23 C21 C22 O3 59.5(6) . . . . ?
C25 C21 C22 O3 -58.9(5) . . . . ?
C20 C21 C22 N1 1.1(6) . . . . ?
C23 C21 C22 N1 -120.2(4) . . . . ?
C25 C21 C22 N1 121.4(4) . . . . ?
C20 C21 C23 C24 -64.4(6) . . . . ?
C22 C21 C23 C24 60.5(6) . . . . ?
C25 C21 C23 C24 178.2(5) . . . . ?
C20 C21 C25 C26 63.2(6) . . . . ?
C22 C21 C25 C26 -61.2(6) . . . . ?
C23 C21 C25 C26 -179.1(5) . . . . ?
O3 C22 N1 C19 -179.9(4) . . . . ?
C21 C22 N1 C19 -0.1(5) . . . . ?
O3 C22 N1 Ag1 3.1(5) . . . . ?
C21 C22 N1 Ag1 -177.2(3) . . . . ?
O1 C19 N1 C22 179.6(3) . . . . ?
N2 C19 N1 C22 -1.3(5) . . . . ?
O1 C19 N1 Ag1 -3.4(4) . . . . ?
N2 C19 N1 Ag1 175.7(2) . . . . ?
O2 C20 N2 C19 179.7(4) . . . . ?
C21 C20 N2 C19 -0.8(5) . . . . ?
O1 C19 N2 C20 -179.0(3) . . . . ?
N1 C19 N2 C20 1.9(5) . . . . ?
C12B C1 P1 C13 23.2(5) . . . . ?
C8B C1 P1 C13 -154.9(4) . . . . ?
C2A C1 P1 C13 -179.5(6) . . . . ?
C6A C1 P1 C13 58.0(5) . . . . ?
C12B C1 P1 C7 -91.0(5) . . . . ?
C8B C1 P1 C7 90.8(4) . . . . ?
C2A C1 P1 C7 66.3(7) . . . . ?
C6A C1 P1 C7 -56.2(5) . . . . ?
C12B C1 P1 Ag1 146.7(5) . . . . ?
C8B C1 P1 Ag1 -31.5(4) . . . . ?
C2A C1 P1 Ag1 -56.0(7) . . . . ?
C6A C1 P1 Ag1 -178.5(5) . . . . ?
C18 C13 P1 C1 62.6(3) . . . . ?
C14 C13 P1 C1 -175.7(3) . . . . ?
C18 C13 P1 C7 175.8(3) . . . . ?
C14 C13 P1 C7 -62.6(3) . . . . ?
C18 C13 P1 Ag1 -61.7(3) . . . . ?
C14 C13 P1 Ag1 59.9(3) . . . . ?
C12A C7 P1 C1 96.9(8) . . . . ?
C8A C7 P1 C1 -80.6(6) . . . . ?
C2B C7 P1 C1 -64.9(5) . . . . ?
C6B C7 P1 C1 63.7(4) . . . . ?
C12A C7 P1 C13 -17.7(8) . . . . ?
C8A C7 P1 C13 164.9(6) . . . . ?
C2B C7 P1 C13 -179.4(5) . . . . ?
C6B C7 P1 C13 -50.8(4) . . . . ?
C12A C7 P1 Ag1 -140.0(8) . . . . ?
C8A C7 P1 Ag1 42.5(6) . . . . ?
C2B C7 P1 Ag1 58.3(5) . . . . ?
C6B C7 P1 Ag1 -173.2(4) . . . . ?
C6A C1 C2A C3A -55.4(11) . . . . ?
P1 C1 C2A C3A -178.6(7) . . . . ?
C1 C2A C3A C4A 56.7(14) . . . . ?
C2A C3A C4A C5A -51.8(15) . . . . ?
C3A C4A C5A C6A 52.9(15) . . . . ?
C4A C5A C6A C1 -54.1(12) . . . . ?
C2A C1 C6A C5A 56.5(11) . . . . ?
P1 C1 C6A C5A -174.7(7) . . . . ?
C12A C7 C8A C9A 3.6(15) . . . . ?
P1 C7 C8A C9A -178.6(10) . . . . ?
C7 C8A C9A C10A -3.8(18) . . . . ?
C8A C9A C10A C11A 3.4(19) . . . . ?
C9A C10A C11A C12A -3(2) . . . . ?
C8A C7 C12A C11A -2.7(15) . . . . ?
P1 C7 C12A C11A 179.8(8) . . . . ?
C10A C11A C12A C7 2.4(18) . . . . ?
C6B C7 C2B C3B 54.6(9) . . . . ?
P1 C7 C2B C3B -178.0(6) . . . . ?
C7 C2B C3B C4B -52.5(11) . . . . ?
C2B C3B C4B C5B 51.3(11) . . . . ?
C3B C4B C5B C6B -51.3(11) . . . . ?
C4B C5B C6B C7 52.1(9) . . . . ?
C2B C7 C6B C5B -56.8(8) . . . . ?
P1 C7 C6B C5B 175.0(5) . . . . ?
C12B C1 C8B C9B 3.6(9) . . . . ?
P1 C1 C8B C9B -178.1(5) . . . . ?
C1 C8B C9B C10B -0.5(10) . . . . ?
C8B C9B C10B C11B -3.7(12) . . . . ?
C9B C10B C11B C12B 4.7(12) . . . . ?
C8B C1 C12B C11B -2.6(10) . . . . ?
P1 C1 C12B C11B 179.3(5) . . . . ?
C10B C11B C12B C1 -1.4(11) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2 O1 0.86 2.01 2.860(4) 169.8 2_656
C14 H14B O3 0.97 2.62 3.388(5) 136.5 2_766
C12A H12A O3 0.93 2.50 3.115(13) 124.2 2_766

_refine_diff_density_max         0.496
_refine_diff_density_min         -0.402
_refine_diff_density_rms         0.059

####################################################################### 
# 
# 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_Compound_II
_database_code_depnum_ccdc_archive 'CCDC 1533730'
_audit_update_record             
;
2017-02-20 deposited with the CCDC.
2017-05-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C26 H32 Ag N2 O3 P'
_chemical_formula_sum            'C26 H32 Ag N2 O3 P'
_chemical_formula_weight         559.37

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                   9.3467(5)
_cell_length_b                   11.5535(6)
_cell_length_c                   12.6357(6)
_cell_angle_alpha                94.402(4)
_cell_angle_beta                 92.711(4)
_cell_angle_gamma                105.575(4)
_cell_volume                     1307.23(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    296
_cell_measurement_reflns_used    20694
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      28.02

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.421
_exptl_crystal_F_000             576
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.78
_exptl_crystal_size_mid          0.57
_exptl_crystal_size_min          0.25
_exptl_absorpt_coefficient_mu    0.861
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.5901
_exptl_absorpt_correction_T_max  0.8659
_exptl_absorpt_process_details   '(X-RED32; Stoe & Cie, 2002)'
_diffrn_ambient_temperature      296
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20694
_diffrn_reflns_av_unetI/netI     0.0222
_diffrn_reflns_av_R_equivalents  0.0288
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.268
_diffrn_reflns_theta_max         26.499
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             5389
_reflns_number_gt                4825
_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       'X-AREA (Stoe & Cie, 2002)'
_computing_cell_refinement       X-AREA
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2002)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX (Farrugia, 2012)'
_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)+(0.0365P)²+0.1644P] 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         5389
_refine_ls_number_parameters     298
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0285
_refine_ls_R_factor_gt           0.0235
_refine_ls_wR_factor_ref         0.0619
_refine_ls_wR_factor_gt          0.0603
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.023
_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
C1 C 0.8734(2) 0.82872(17) 0.65863(14) 0.0440(4) Uani 1 1 d . . . . .
C2 C 0.9653(3) 0.8241(2) 0.74627(18) 0.0603(5) Uani 1 1 d . . . . .
H2 H 0.953501 0.752315 0.777853 0.072 Uiso 1 1 calc R U . . .
C3 C 1.0750(3) 0.9263(3) 0.7870(2) 0.0738(7) Uani 1 1 d . . . . .
H3 H 1.136237 0.922529 0.846139 0.089 Uiso 1 1 calc R U . . .
C4 C 1.0944(3) 1.0324(2) 0.7417(2) 0.0736(7) Uani 1 1 d . . . . .
H4 H 1.168843 1.100384 0.769397 0.088 Uiso 1 1 calc R U . . .
C5 C 1.0035(3) 1.0378(2) 0.6553(2) 0.0678(6) Uani 1 1 d . . . . .
H5 H 1.015738 1.110007 0.624326 0.081 Uiso 1 1 calc R U . . .
C6 C 0.8944(2) 0.93752(19) 0.61410(16) 0.0557(5) Uani 1 1 d . . . . .
H6 H 0.833400 0.942480 0.555276 0.067 Uiso 1 1 calc R U . . .
C7 C 0.5682(2) 0.75488(18) 0.58593(14) 0.0460(4) Uani 1 1 d . . . . .
C8 C 0.5003(2) 0.7780(2) 0.67847(16) 0.0575(5) Uani 1 1 d . . . . .
H8 H 0.535433 0.759838 0.743499 0.069 Uiso 1 1 calc R U . . .
C9 C 0.3811(3) 0.8276(3) 0.6740(2) 0.0728(7) Uani 1 1 d . . . . .
H9 H 0.335519 0.841198 0.735764 0.087 Uiso 1 1 calc R U . . .
C10 C 0.3304(3) 0.8566(3) 0.5799(2) 0.0709(6) Uani 1 1 d . . . . .
H10 H 0.250974 0.890776 0.577617 0.085 Uiso 1 1 calc R U . . .
C11 C 0.3965(3) 0.8356(3) 0.4879(2) 0.0762(7) Uani 1 1 d . . . . .
H11 H 0.360893 0.854403 0.423268 0.091 Uiso 1 1 calc R U . . .
C12 C 0.5169(3) 0.7859(2) 0.49184(16) 0.0643(6) Uani 1 1 d . . . . .
H12 H 0.562938 0.773688 0.429893 0.077 Uiso 1 1 calc R U . . .
C13 C 0.7840(2) 0.66238(17) 0.46783(14) 0.0440(4) Uani 1 1 d . . . . .
H13 H 0.784425 0.731607 0.427503 0.053 Uiso 1 1 calc R U . . .
C14 C 0.6730(3) 0.5527(2) 0.41013(17) 0.0578(5) Uani 1 1 d . . . . .
H14A H 0.575723 0.567484 0.403862 0.069 Uiso 1 1 calc R U . . .
H14B H 0.665227 0.483817 0.451010 0.069 Uiso 1 1 calc R U . . .
C15 C 0.7204(3) 0.5244(3) 0.29997(18) 0.0700(6) Uani 1 1 d . . . . .
H15A H 0.649587 0.452406 0.265579 0.084 Uiso 1 1 calc R U . . .
H15B H 0.720308 0.590631 0.257218 0.084 Uiso 1 1 calc R U . . .
C16 C 0.8739(4) 0.5050(3) 0.3061(2) 0.0837(8) Uani 1 1 d . . . . .
H16A H 0.903211 0.490247 0.234779 0.100 Uiso 1 1 calc R U . . .
H16B H 0.872146 0.434552 0.343682 0.100 Uiso 1 1 calc R U . . .
C17 C 0.9865(3) 0.6142(3) 0.3632(2) 0.0760(7) Uani 1 1 d . . . . .
H17A H 0.996884 0.682157 0.320876 0.091 Uiso 1 1 calc R U . . .
H17B H 1.082576 0.597424 0.370470 0.091 Uiso 1 1 calc R U . . .
C18 C 0.9409(2) 0.6475(2) 0.47274(18) 0.0582(5) Uani 1 1 d . . . . .
H18A H 1.010192 0.722326 0.503360 0.070 Uiso 1 1 calc R U . . .
H18B H 0.945974 0.585014 0.518702 0.070 Uiso 1 1 calc R U . . .
C19 C 0.8039(2) 0.44753(18) 0.90115(14) 0.0461(4) Uani 1 1 d . . . . .
C20 C 0.7060(2) 0.2760(2) 1.00314(15) 0.0554(5) Uani 1 1 d . . . . .
C21 C 0.5757(2) 0.22966(17) 0.92124(14) 0.0476(4) Uani 1 1 d . . . . .
C22 C 0.5755(2) 0.31080(18) 0.83114(13) 0.0456(4) Uani 1 1 d . . . . .
C23 C 0.5836(3) 0.1054(2) 0.8713(2) 0.0708(6) Uani 1 1 d . . . . .
H23A H 0.569053 0.049737 0.926121 0.085 Uiso 1 1 calc R U . . .
H23B H 0.501995 0.075136 0.817339 0.085 Uiso 1 1 calc R U . . .
C24 C 0.7266(4) 0.1050(3) 0.8217(3) 0.0997(10) Uani 1 1 d . . . . .
H24A H 0.721659 0.024531 0.792857 0.120 Uiso 1 1 calc R U . . .
H24B H 0.741072 0.157777 0.765698 0.120 Uiso 1 1 calc R U . . .
H24C H 0.808267 0.132325 0.874704 0.120 Uiso 1 1 calc R U . . .
C25 C 0.4299(3) 0.2129(2) 0.97731(18) 0.0613(5) Uani 1 1 d . . . . .
H25A H 0.347191 0.172313 0.926603 0.074 Uiso 1 1 calc R U . . .
H25B H 0.430999 0.160986 1.033934 0.074 Uiso 1 1 calc R U . . .
C26 C 0.4039(4) 0.3291(3) 1.0238(2) 0.0856(8) Uani 1 1 d . . . . .
H26A H 0.311439 0.311763 1.057317 0.103 Uiso 1 1 calc R U . . .
H26B H 0.483871 0.369108 1.075575 0.103 Uiso 1 1 calc R U . . .
H26C H 0.399964 0.380448 0.968117 0.103 Uiso 1 1 calc R U . . .
N1 N 0.68737(17) 0.41277(14) 0.82740(11) 0.0433(3) Uani 1 1 d . . . . .
N2 N 0.81042(19) 0.37813(17) 0.98479(13) 0.0548(4) Uani 1 1 d . . . . .
H2A H 0.887479 0.401767 1.029104 0.066 Uiso 1 1 calc R U . . .
O1 O 0.90454(16) 0.53991(14) 0.89580(12) 0.0606(4) Uani 1 1 d . . . . .
O2 O 0.7190(2) 0.22378(19) 1.08071(14) 0.0856(6) Uani 1 1 d . . . . .
O3 O 0.47151(18) 0.28124(15) 0.76281(12) 0.0650(4) Uani 1 1 d . . . . .
P1 P 0.72954(5) 0.69608(4) 0.60214(3) 0.04069(10) Uani 1 1 d . . . . .
Ag1 Ag 0.69887(2) 0.53852(2) 0.71274(2) 0.04669(6) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.382(3) . ?
C1 C6 1.386(3) . ?
C1 P1 1.817(2) . ?
C2 C3 1.384(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.364(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.368(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.369(3) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.369(3) . ?
C7 C8 1.398(3) . ?
C7 P1 1.8221(19) . ?
C8 C9 1.384(3) . ?
C8 H8 0.9300 . ?
C9 C10 1.357(4) . ?
C9 H9 0.9300 . ?
C10 C11 1.378(3) . ?
C10 H10 0.9300 . ?
C11 C12 1.394(3) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.515(3) . ?
C13 C18 1.521(3) . ?
C13 P1 1.8379(17) . ?
C13 H13 0.9800 . ?
C14 C15 1.519(3) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.510(4) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C17 1.515(4) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.519(3) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 O1 1.228(2) . ?
C19 N1 1.352(3) . ?
C19 N2 1.383(2) . ?
C20 O2 1.208(2) . ?
C20 N2 1.358(3) . ?
C20 C21 1.512(3) . ?
C21 C22 1.530(2) . ?
C21 C25 1.538(3) . ?
C21 C23 1.546(3) . ?
C22 O3 1.226(2) . ?
C22 N1 1.355(3) . ?
C23 C24 1.504(4) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.508(4) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
N1 Ag1 2.1156(14) . ?
N2 H2A 0.8600 . ?
P1 Ag1 2.3445(5) . ?

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
C2 C1 C6 118.2(2) . . ?
C2 C1 P1 121.25(16) . . ?
C6 C1 P1 120.54(15) . . ?
C1 C2 C3 120.0(2) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.0 . . ?
C4 C3 C2 120.9(2) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C3 C4 C5 119.4(2) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.3 . . ?
C4 C5 C6 120.3(2) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C5 C6 C1 121.1(2) . . ?
C5 C6 H6 119.5 . . ?
C1 C6 H6 119.5 . . ?
C12 C7 C8 118.45(18) . . ?
C12 C7 P1 124.70(14) . . ?
C8 C7 P1 116.67(15) . . ?
C9 C8 C7 120.5(2) . . ?
C9 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
C10 C9 C8 120.4(2) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C9 C10 C11 120.1(2) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 C12 119.8(2) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C7 C12 C11 120.7(2) . . ?
C7 C12 H12 119.6 . . ?
C11 C12 H12 119.6 . . ?
C14 C13 C18 111.59(17) . . ?
C14 C13 P1 111.37(13) . . ?
C18 C13 P1 110.54(14) . . ?
C14 C13 H13 107.7 . . ?
C18 C13 H13 107.7 . . ?
P1 C13 H13 107.7 . . ?
C13 C14 C15 110.93(19) . . ?
C13 C14 H14A 109.5 . . ?
C15 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C15 C14 H14B 109.5 . . ?
H14A C14 H14B 108.0 . . ?
C16 C15 C14 111.1(2) . . ?
C16 C15 H15A 109.4 . . ?
C14 C15 H15A 109.4 . . ?
C16 C15 H15B 109.4 . . ?
C14 C15 H15B 109.4 . . ?
H15A C15 H15B 108.0 . . ?
C15 C16 C17 110.8(2) . . ?
C15 C16 H16A 109.5 . . ?
C17 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C17 C16 H16B 109.5 . . ?
H16A C16 H16B 108.1 . . ?
C16 C17 C18 112.0(2) . . ?
C16 C17 H17A 109.2 . . ?
C18 C17 H17A 109.2 . . ?
C16 C17 H17B 109.2 . . ?
C18 C17 H17B 109.2 . . ?
H17A C17 H17B 107.9 . . ?
C17 C18 C13 111.72(19) . . ?
C17 C18 H18A 109.3 . . ?
C13 C18 H18A 109.3 . . ?
C17 C18 H18B 109.3 . . ?
C13 C18 H18B 109.3 . . ?
H18A C18 H18B 107.9 . . ?
O1 C19 N1 121.39(16) . . ?
O1 C19 N2 118.96(18) . . ?
N1 C19 N2 119.65(18) . . ?
O2 C20 N2 121.0(2) . . ?
O2 C20 C21 121.9(2) . . ?
N2 C20 C21 117.12(16) . . ?
C20 C21 C22 114.17(17) . . ?
C20 C21 C25 109.03(16) . . ?
C22 C21 C25 109.44(16) . . ?
C20 C21 C23 107.41(19) . . ?
C22 C21 C23 107.84(16) . . ?
C25 C21 C23 108.82(19) . . ?
O3 C22 N1 121.06(17) . . ?
O3 C22 C21 118.30(18) . . ?
N1 C22 C21 120.64(16) . . ?
C24 C23 C21 115.2(2) . . ?
C24 C23 H23A 108.5 . . ?
C21 C23 H23A 108.5 . . ?
C24 C23 H23B 108.5 . . ?
C21 C23 H23B 108.5 . . ?
H23A C23 H23B 107.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C21 114.1(2) . . ?
C26 C25 H25A 108.7 . . ?
C21 C25 H25A 108.7 . . ?
C26 C25 H25B 108.7 . . ?
C21 C25 H25B 108.7 . . ?
H25A C25 H25B 107.6 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C19 N1 C22 122.51(15) . . ?
C19 N1 Ag1 112.09(12) . . ?
C22 N1 Ag1 125.36(12) . . ?
C20 N2 C19 125.79(18) . . ?
C20 N2 H2A 117.1 . . ?
C19 N2 H2A 117.1 . . ?
C1 P1 C7 102.34(9) . . ?
C1 P1 C13 105.29(8) . . ?
C7 P1 C13 106.82(8) . . ?
C1 P1 Ag1 111.28(6) . . ?
C7 P1 Ag1 114.62(6) . . ?
C13 P1 Ag1 115.31(6) . . ?
N1 Ag1 P1 172.80(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 -0.2(3) . . . . ?
P1 C1 C2 C3 179.39(18) . . . . ?
C1 C2 C3 C4 -0.2(4) . . . . ?
C2 C3 C4 C5 0.5(4) . . . . ?
C3 C4 C5 C6 -0.4(4) . . . . ?
C4 C5 C6 C1 0.0(4) . . . . ?
C2 C1 C6 C5 0.3(3) . . . . ?
P1 C1 C6 C5 -179.34(17) . . . . ?
C12 C7 C8 C9 1.9(4) . . . . ?
P1 C7 C8 C9 177.2(2) . . . . ?
C7 C8 C9 C10 -1.2(4) . . . . ?
C8 C9 C10 C11 0.7(5) . . . . ?
C9 C10 C11 C12 -0.9(5) . . . . ?
C8 C7 C12 C11 -2.1(4) . . . . ?
P1 C7 C12 C11 -177.0(2) . . . . ?
C10 C11 C12 C7 1.6(4) . . . . ?
C18 C13 C14 C15 -55.0(2) . . . . ?
P1 C13 C14 C15 -179.05(16) . . . . ?
C13 C14 C15 C16 57.2(3) . . . . ?
C14 C15 C16 C17 -56.9(3) . . . . ?
C15 C16 C17 C18 55.0(3) . . . . ?
C16 C17 C18 C13 -53.1(3) . . . . ?
C14 C13 C18 C17 53.0(2) . . . . ?
P1 C13 C18 C17 177.53(17) . . . . ?
O2 C20 C21 C22 177.7(2) . . . . ?
N2 C20 C21 C22 -3.7(3) . . . . ?
O2 C20 C21 C25 54.9(3) . . . . ?
N2 C20 C21 C25 -126.5(2) . . . . ?
O2 C20 C21 C23 -62.8(3) . . . . ?
N2 C20 C21 C23 115.8(2) . . . . ?
C20 C21 C22 O3 -178.17(18) . . . . ?
C25 C21 C22 O3 -55.7(2) . . . . ?
C23 C21 C22 O3 62.6(2) . . . . ?
C20 C21 C22 N1 1.7(2) . . . . ?
C25 C21 C22 N1 124.18(19) . . . . ?
C23 C21 C22 N1 -117.6(2) . . . . ?
C20 C21 C23 C24 -56.9(3) . . . . ?
C22 C21 C23 C24 66.6(3) . . . . ?
C25 C21 C23 C24 -174.8(2) . . . . ?
C20 C21 C25 C26 66.7(2) . . . . ?
C22 C21 C25 C26 -58.8(3) . . . . ?
C23 C21 C25 C26 -176.4(2) . . . . ?
O1 C19 N1 C22 179.52(18) . . . . ?
N2 C19 N1 C22 -0.6(3) . . . . ?
O1 C19 N1 Ag1 -2.7(2) . . . . ?
N2 C19 N1 Ag1 177.20(14) . . . . ?
O3 C22 N1 C19 -179.66(18) . . . . ?
C21 C22 N1 C19 0.5(3) . . . . ?
O3 C22 N1 Ag1 2.8(3) . . . . ?
C21 C22 N1 Ag1 -177.02(12) . . . . ?
O2 C20 N2 C19 -177.3(2) . . . . ?
C21 C20 N2 C19 4.1(3) . . . . ?
O1 C19 N2 C20 177.99(19) . . . . ?
N1 C19 N2 C20 -1.9(3) . . . . ?
C2 C1 P1 C7 132.79(16) . . . . ?
C6 C1 P1 C7 -47.63(17) . . . . ?
C2 C1 P1 C13 -115.70(17) . . . . ?
C6 C1 P1 C13 63.89(17) . . . . ?
C2 C1 P1 Ag1 9.90(18) . . . . ?
C6 C1 P1 Ag1 -170.51(14) . . . . ?
C12 C7 P1 C1 100.4(2) . . . . ?
C8 C7 P1 C1 -74.49(18) . . . . ?
C12 C7 P1 C13 -9.9(2) . . . . ?
C8 C7 P1 C13 175.14(17) . . . . ?
C12 C7 P1 Ag1 -138.98(19) . . . . ?
C8 C7 P1 Ag1 46.11(19) . . . . ?
C14 C13 P1 C1 -179.91(14) . . . . ?
C18 C13 P1 C1 55.43(16) . . . . ?
C14 C13 P1 C7 -71.61(16) . . . . ?
C18 C13 P1 C7 163.73(14) . . . . ?
C14 C13 P1 Ag1 57.03(15) . . . . ?
C18 C13 P1 Ag1 -67.63(15) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2A O1 0.86 2.04 2.884(2) 167.2 2_767
C12 H12 O3 0.93 2.45 3.265(3) 146.0 2_666

_refine_diff_density_max         0.418
_refine_diff_density_min         -0.220
_refine_diff_density_rms         0.044

####################################################################### 
# 
# 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_CCDC_1533732
_database_code_depnum_ccdc_archive 'CCDC 1533732'
_audit_update_record             
;
2017-05-22 deposited with the CCDC.
2017-05-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C26 H44 Ag N2 O3 P, 0.5(C2 H3 N)'
_chemical_formula_sum            'C27 H45.5 Ag N2.5 O3 P'
_chemical_formula_weight         571.47

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      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                   10.8443(6)
_cell_length_b                   11.5236(6)
_cell_length_c                   13.6228(7)
_cell_angle_alpha                97.443(4)
_cell_angle_beta                 90.550(4)
_cell_angle_gamma                116.452(4)
_cell_volume                     1506.96(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    296
_cell_measurement_reflns_used    17125
_cell_measurement_theta_min      2.50
_cell_measurement_theta_max      27.97

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_F_000             600
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.22
_exptl_absorpt_coefficient_mu    0.748
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.7446
_exptl_absorpt_correction_T_max  0.8432
_exptl_absorpt_process_details   '(X-RED32; Stoe & Cie, 2002)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'ω scan rotation method'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17151
_diffrn_reflns_av_unetI/netI     0.0265
_diffrn_reflns_av_R_equivalents  0.0312
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.496
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.989
_reflns_number_total             5873
_reflns_number_gt                4914
_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.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_cell_refinement       X-AREA
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2002)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_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)+(0.0423P)²+1.5990P] 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         5873
_refine_ls_number_parameters     298
_refine_ls_number_restraints     60
_refine_ls_R_factor_all          0.0521
_refine_ls_R_factor_gt           0.0423
_refine_ls_wR_factor_ref         0.1030
_refine_ls_wR_factor_gt          0.0983
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.049
_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
C1 C 0.2616(3) 0.4865(3) 0.3532(2) 0.0451(7) Uani 1 1 d . . . . .
H1 H 0.251388 0.473633 0.280540 0.054 Uiso 1 1 calc R U . . .
C2 C 0.3440(4) 0.4177(4) 0.3851(3) 0.0638(10) Uani 1 1 d . . . . .
H2A H 0.431735 0.451040 0.355223 0.077 Uiso 1 1 calc R U . . .
H2B H 0.363010 0.437371 0.456654 0.077 Uiso 1 1 calc R U . . .
C3 C 0.2664(5) 0.2694(4) 0.3545(4) 0.0865(15) Uani 1 1 d . . . . .
H3A H 0.256682 0.249387 0.282666 0.104 Uiso 1 1 calc R U . . .
H3B H 0.319811 0.229141 0.379286 0.104 Uiso 1 1 calc R U . . .
C4 C 0.1262(5) 0.2123(4) 0.3936(5) 0.0952(17) Uani 1 1 d . . . . .
H4A H 0.135544 0.224678 0.465615 0.114 Uiso 1 1 calc R U . . .
H4B H 0.078400 0.118938 0.369955 0.114 Uiso 1 1 calc R U . . .
C5 C 0.0426(4) 0.2780(4) 0.3597(4) 0.0799(13) Uani 1 1 d . . . . .
H5A H -0.046503 0.242501 0.387631 0.096 Uiso 1 1 calc R U . . .
H5B H 0.026704 0.259162 0.287948 0.096 Uiso 1 1 calc R U . . .
C6 C 0.1174(4) 0.4263(4) 0.3919(3) 0.0636(10) Uani 1 1 d . . . . .
H6A H 0.125652 0.445166 0.463807 0.076 Uiso 1 1 calc R U . . .
H6B H 0.063429 0.465827 0.366896 0.076 Uiso 1 1 calc R U . . .
C7 C 0.2640(4) 0.7450(3) 0.3416(2) 0.0552(8) Uani 1 1 d . . . . .
H7 H 0.340055 0.827387 0.328761 0.066 Uiso 1 1 calc R U . . .
C8 C 0.1833(5) 0.7883(5) 0.4112(3) 0.0837(14) Uani 1 1 d . . . . .
H8A H 0.241100 0.836695 0.471617 0.100 Uiso 1 1 calc R U . . .
H8B H 0.105629 0.711672 0.428651 0.100 Uiso 1 1 calc R U . . .
C9 C 0.1294(5) 0.8743(5) 0.3685(4) 0.0871(14) Uani 1 1 d . . . . .
H9A H 0.067393 0.889882 0.413069 0.105 Uiso 1 1 calc R U . . .
H9B H 0.206067 0.958286 0.362251 0.105 Uiso 1 1 calc R U . . .
C10 C 0.0533(7) 0.8081(7) 0.2672(5) 0.115(2) Uani 1 1 d . . . . .
H10A H -0.032458 0.732936 0.276088 0.138 Uiso 1 1 calc R U . . .
H10B H 0.029836 0.868857 0.238112 0.138 Uiso 1 1 calc R U . . .
C11 C 0.1305(6) 0.7647(5) 0.1985(4) 0.0844(14) Uani 1 1 d . . . . .
H11A H 0.206451 0.840980 0.179011 0.101 Uiso 1 1 calc R U . . .
H11B H 0.070798 0.714382 0.139249 0.101 Uiso 1 1 calc R U . . .
C12 C 0.1873(4) 0.6825(4) 0.2402(3) 0.0594(9) Uani 1 1 d . . . . .
H12A H 0.249668 0.668940 0.194783 0.071 Uiso 1 1 calc R U . . .
H12B H 0.111943 0.597328 0.245495 0.071 Uiso 1 1 calc R U . . .
C13 C 0.5255(4) 0.7276(3) 0.3500(2) 0.0519(8) Uani 1 1 d . . . . .
H13 H 0.567107 0.673293 0.369893 0.062 Uiso 1 1 calc R U . . .
C14 C 0.5251(4) 0.7153(4) 0.2376(3) 0.0608(9) Uani 1 1 d . . . . .
H14A H 0.477274 0.761126 0.213543 0.073 Uiso 1 1 calc R U . . .
H14B H 0.475509 0.623585 0.208940 0.073 Uiso 1 1 calc R U . . .
C15 C 0.6722(5) 0.7724(5) 0.2044(3) 0.0786(12) Uani 1 1 d . . . . .
H15A H 0.715200 0.718316 0.219851 0.094 Uiso 1 1 calc R U . . .
H15B H 0.668719 0.770527 0.132966 0.094 Uiso 1 1 calc R U . . .
C16 C 0.7588(4) 0.9108(5) 0.2539(4) 0.0804(13) Uani 1 1 d . . . . .
H16A H 0.721886 0.967091 0.232720 0.096 Uiso 1 1 calc R U . . .
H16B H 0.852447 0.941516 0.234019 0.096 Uiso 1 1 calc R U . . .
C17 C 0.7605(4) 0.9195(4) 0.3651(4) 0.0755(12) Uani 1 1 d . . . . .
H17A H 0.812985 1.010430 0.394973 0.091 Uiso 1 1 calc R U . . .
H17B H 0.806564 0.870800 0.386620 0.091 Uiso 1 1 calc R U . . .
C18 C 0.6171(4) 0.8662(4) 0.4008(3) 0.0665(10) Uani 1 1 d . . . . .
H18A H 0.575857 0.922566 0.387902 0.080 Uiso 1 1 calc R U . . .
H18B H 0.622981 0.866701 0.472000 0.080 Uiso 1 1 calc R U . . .
C19 C 0.4486(4) 0.8628(3) 0.7718(2) 0.0508(8) Uani 1 1 d . . . . .
C20 C 0.4019(5) 0.8040(3) 0.9382(3) 0.0691(12) Uani 1 1 d . U . . .
C21 C 0.3311(7) 0.6606(4) 0.8940(3) 0.109(2) Uani 1 1 d . U . . .
C22 C 0.3237(8) 0.6369(4) 0.7804(3) 0.125(3) Uani 1 1 d . U . . .
C23 C 0.4158(11) 0.5956(6) 0.9336(4) 0.149(4) Uani 1 1 d . U . . .
H23A H 0.418145 0.607440 1.005548 0.179 Uiso 1 1 calc R U . . .
H23B H 0.368525 0.502216 0.909990 0.179 Uiso 1 1 calc R U . . .
C24 C 0.5612(13) 0.6485(9) 0.9035(6) 0.180(5) Uani 1 1 d . U . . .
H24A H 0.606664 0.603662 0.930780 0.217 Uiso 1 1 calc R U . . .
H24B H 0.560145 0.635188 0.832440 0.217 Uiso 1 1 calc R U . . .
H24C H 0.609834 0.740559 0.928131 0.217 Uiso 1 1 calc R U . . .
C25 C 0.1871(10) 0.5987(6) 0.9288(4) 0.164(5) Uani 1 1 d . U . . .
H25A H 0.143726 0.505584 0.903706 0.197 Uiso 1 1 calc R U . . .
H25B H 0.193525 0.608504 1.000719 0.197 Uiso 1 1 calc R U . . .
C26 C 0.0980(9) 0.6564(10) 0.8962(6) 0.192(5) Uani 1 1 d . U . . .
H26A H 0.008312 0.613061 0.920555 0.230 Uiso 1 1 calc R U . . .
H26B H 0.139022 0.748125 0.922090 0.230 Uiso 1 1 calc R U . . .
H26C H 0.089190 0.645138 0.825015 0.230 Uiso 1 1 calc R U . . .
N1 N 0.3814(4) 0.7368(3) 0.7280(2) 0.0696(10) Uani 1 1 d . . . . .
N2 N 0.4548(3) 0.8916(3) 0.87467(19) 0.0569(8) Uani 1 1 d . . . . .
H2 H 0.496348 0.972992 0.900140 0.068 Uiso 1 1 calc R U . . .
O1 O 0.5041(4) 0.9520(3) 0.72468(19) 0.0807(9) Uani 1 1 d . U . . .
O2 O 0.4120(4) 0.8381(3) 1.02728(17) 0.0886(11) Uani 1 1 d . U . . .
O3 O 0.2655(8) 0.5244(3) 0.7377(3) 0.208(3) Uani 1 1 d . U . . .
P1 P 0.35173(9) 0.66358(8) 0.39850(5) 0.0440(2) Uani 1 1 d . . . . .
Ag1 Ag 0.36728(3) 0.70143(3) 0.57198(2) 0.05895(11) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.526(5) . ?
C1 C6 1.532(5) . ?
C1 P1 1.840(3) . ?
C1 H1 0.9800 . ?
C2 C3 1.526(5) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.498(7) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C5 1.516(6) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.528(5) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.483(5) . ?
C7 C12 1.518(5) . ?
C7 P1 1.832(4) . ?
C7 H7 0.9800 . ?
C8 C9 1.523(6) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.520(7) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.447(7) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.501(6) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C18 1.518(5) . ?
C13 C14 1.519(5) . ?
C13 P1 1.856(4) . ?
C13 H13 0.9800 . ?
C14 C15 1.530(6) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.502(6) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C17 1.504(6) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.508(6) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 O1 1.207(4) . ?
C19 N1 1.349(4) . ?
C19 N2 1.391(4) . ?
C20 O2 1.214(4) . ?
C20 N2 1.348(5) . ?
C20 C21 1.512(5) . ?
C21 C25 1.511(11) . ?
C21 C22 1.531(5) . ?
C21 C23 1.550(11) . ?
C22 O3 1.219(5) . ?
C22 N1 1.344(5) . ?
C23 C24 1.499(12) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.488(13) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
N1 Ag1 2.103(3) . ?
N2 H2 0.8600 . ?
P1 Ag1 2.3374(8) . ?

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
C2 C1 C6 110.0(3) . . ?
C2 C1 P1 110.9(2) . . ?
C6 C1 P1 110.3(2) . . ?
C2 C1 H1 108.5 . . ?
C6 C1 H1 108.5 . . ?
P1 C1 H1 108.5 . . ?
C3 C2 C1 111.8(3) . . ?
C3 C2 H2A 109.3 . . ?
C1 C2 H2A 109.3 . . ?
C3 C2 H2B 109.3 . . ?
C1 C2 H2B 109.3 . . ?
H2A C2 H2B 107.9 . . ?
C4 C3 C2 112.1(4) . . ?
C4 C3 H3A 109.2 . . ?
C2 C3 H3A 109.2 . . ?
C4 C3 H3B 109.2 . . ?
C2 C3 H3B 109.2 . . ?
H3A C3 H3B 107.9 . . ?
C3 C4 C5 110.3(4) . . ?
C3 C4 H4A 109.6 . . ?
C5 C4 H4A 109.6 . . ?
C3 C4 H4B 109.6 . . ?
C5 C4 H4B 109.6 . . ?
H4A C4 H4B 108.1 . . ?
C4 C5 C6 111.2(4) . . ?
C4 C5 H5A 109.4 . . ?
C6 C5 H5A 109.4 . . ?
C4 C5 H5B 109.4 . . ?
C6 C5 H5B 109.4 . . ?
H5A C5 H5B 108.0 . . ?
C5 C6 C1 111.5(3) . . ?
C5 C6 H6A 109.3 . . ?
C1 C6 H6A 109.3 . . ?
C5 C6 H6B 109.3 . . ?
C1 C6 H6B 109.3 . . ?
H6A C6 H6B 108.0 . . ?
C8 C7 C12 112.6(3) . . ?
C8 C7 P1 113.4(3) . . ?
C12 C7 P1 118.0(2) . . ?
C8 C7 H7 103.6 . . ?
C12 C7 H7 103.6 . . ?
P1 C7 H7 103.6 . . ?
C7 C8 C9 113.1(4) . . ?
C7 C8 H8A 109.0 . . ?
C9 C8 H8A 109.0 . . ?
C7 C8 H8B 109.0 . . ?
C9 C8 H8B 109.0 . . ?
H8A C8 H8B 107.8 . . ?
C10 C9 C8 110.3(4) . . ?
C10 C9 H9A 109.6 . . ?
C8 C9 H9A 109.6 . . ?
C10 C9 H9B 109.6 . . ?
C8 C9 H9B 109.6 . . ?
H9A C9 H9B 108.1 . . ?
C11 C10 C9 114.3(4) . . ?
C11 C10 H10A 108.7 . . ?
C9 C10 H10A 108.7 . . ?
C11 C10 H10B 108.7 . . ?
C9 C10 H10B 108.7 . . ?
H10A C10 H10B 107.6 . . ?
C10 C11 C12 113.6(4) . . ?
C10 C11 H11A 108.8 . . ?
C12 C11 H11A 108.8 . . ?
C10 C11 H11B 108.8 . . ?
C12 C11 H11B 108.8 . . ?
H11A C11 H11B 107.7 . . ?
C11 C12 C7 112.5(3) . . ?
C11 C12 H12A 109.1 . . ?
C7 C12 H12A 109.1 . . ?
C11 C12 H12B 109.1 . . ?
C7 C12 H12B 109.1 . . ?
H12A C12 H12B 107.8 . . ?
C18 C13 C14 112.5(3) . . ?
C18 C13 P1 110.6(3) . . ?
C14 C13 P1 114.7(2) . . ?
C18 C13 H13 106.1 . . ?
C14 C13 H13 106.1 . . ?
P1 C13 H13 106.1 . . ?
C13 C14 C15 111.2(3) . . ?
C13 C14 H14A 109.4 . . ?
C15 C14 H14A 109.4 . . ?
C13 C14 H14B 109.4 . . ?
C15 C14 H14B 109.4 . . ?
H14A C14 H14B 108.0 . . ?
C16 C15 C14 112.0(3) . . ?
C16 C15 H15A 109.2 . . ?
C14 C15 H15A 109.2 . . ?
C16 C15 H15B 109.2 . . ?
C14 C15 H15B 109.2 . . ?
H15A C15 H15B 107.9 . . ?
C15 C16 C17 111.0(4) . . ?
C15 C16 H16A 109.4 . . ?
C17 C16 H16A 109.4 . . ?
C15 C16 H16B 109.4 . . ?
C17 C16 H16B 109.4 . . ?
H16A C16 H16B 108.0 . . ?
C16 C17 C18 112.2(4) . . ?
C16 C17 H17A 109.2 . . ?
C18 C17 H17A 109.2 . . ?
C16 C17 H17B 109.2 . . ?
C18 C17 H17B 109.2 . . ?
H17A C17 H17B 107.9 . . ?
C17 C18 C13 111.8(3) . . ?
C17 C18 H18A 109.2 . . ?
C13 C18 H18A 109.2 . . ?
C17 C18 H18B 109.2 . . ?
C13 C18 H18B 109.3 . . ?
H18A C18 H18B 107.9 . . ?
O1 C19 N1 122.2(3) . . ?
O1 C19 N2 118.6(3) . . ?
N1 C19 N2 119.2(3) . . ?
O2 C20 N2 121.7(3) . . ?
O2 C20 C21 121.2(3) . . ?
N2 C20 C21 117.1(3) . . ?
C25 C21 C20 108.9(5) . . ?
C25 C21 C22 109.7(5) . . ?
C20 C21 C22 113.7(3) . . ?
C25 C21 C23 109.2(6) . . ?
C20 C21 C23 107.2(5) . . ?
C22 C21 C23 108.1(5) . . ?
O3 C22 N1 120.2(4) . . ?
O3 C22 C21 118.5(4) . . ?
N1 C22 C21 121.3(3) . . ?
C24 C23 C21 114.4(5) . . ?
C24 C23 H23A 108.7 . . ?
C21 C23 H23A 108.7 . . ?
C24 C23 H23B 108.7 . . ?
C21 C23 H23B 108.7 . . ?
H23A C23 H23B 107.6 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C21 113.5(6) . . ?
C26 C25 H25A 108.9 . . ?
C21 C25 H25A 108.9 . . ?
C26 C25 H25B 108.9 . . ?
C21 C25 H25B 108.9 . . ?
H25A C25 H25B 107.7 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 N1 C19 122.4(3) . . ?
C22 N1 Ag1 120.5(2) . . ?
C19 N1 Ag1 117.1(2) . . ?
C20 N2 C19 126.2(3) . . ?
C20 N2 H2 116.9 . . ?
C19 N2 H2 116.9 . . ?
C7 P1 C1 109.14(16) . . ?
C7 P1 C13 105.39(18) . . ?
C1 P1 C13 107.33(15) . . ?
C7 P1 Ag1 113.25(11) . . ?
C1 P1 Ag1 110.21(10) . . ?
C13 P1 Ag1 111.26(11) . . ?
N1 Ag1 P1 179.58(9) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 53.7(5) . . . . ?
P1 C1 C2 C3 176.0(3) . . . . ?
C1 C2 C3 C4 -55.8(6) . . . . ?
C2 C3 C4 C5 56.4(6) . . . . ?
C3 C4 C5 C6 -56.9(6) . . . . ?
C4 C5 C6 C1 56.7(5) . . . . ?
C2 C1 C6 C5 -54.5(4) . . . . ?
P1 C1 C6 C5 -177.2(3) . . . . ?
C12 C7 C8 C9 -51.8(6) . . . . ?
P1 C7 C8 C9 171.0(4) . . . . ?
C7 C8 C9 C10 51.6(6) . . . . ?
C8 C9 C10 C11 -51.6(7) . . . . ?
C9 C10 C11 C12 51.6(7) . . . . ?
C10 C11 C12 C7 -49.7(6) . . . . ?
C8 C7 C12 C11 49.7(5) . . . . ?
P1 C7 C12 C11 -175.2(3) . . . . ?
C18 C13 C14 C15 51.5(5) . . . . ?
P1 C13 C14 C15 179.0(3) . . . . ?
C13 C14 C15 C16 -53.7(5) . . . . ?
C14 C15 C16 C17 55.7(5) . . . . ?
C15 C16 C17 C18 -55.9(5) . . . . ?
C16 C17 C18 C13 54.0(5) . . . . ?
C14 C13 C18 C17 -51.9(5) . . . . ?
P1 C13 C18 C17 178.4(3) . . . . ?
O2 C20 C21 C25 55.3(7) . . . . ?
N2 C20 C21 C25 -125.6(5) . . . . ?
O2 C20 C21 C22 177.8(6) . . . . ?
N2 C20 C21 C22 -3.0(8) . . . . ?
O2 C20 C21 C23 -62.8(7) . . . . ?
N2 C20 C21 C23 116.3(5) . . . . ?
C25 C21 C22 O3 -56.1(10) . . . . ?
C20 C21 C22 O3 -178.3(8) . . . . ?
C23 C21 C22 O3 62.9(10) . . . . ?
C25 C21 C22 N1 124.8(7) . . . . ?
C20 C21 C22 N1 2.6(10) . . . . ?
C23 C21 C22 N1 -116.2(7) . . . . ?
C25 C21 C23 C24 179.7(5) . . . . ?
C20 C21 C23 C24 -62.4(6) . . . . ?
C22 C21 C23 C24 60.4(7) . . . . ?
C20 C21 C25 C26 62.1(7) . . . . ?
C22 C21 C25 C26 -62.9(7) . . . . ?
C23 C21 C25 C26 178.8(6) . . . . ?
O3 C22 N1 C19 -179.1(7) . . . . ?
C21 C22 N1 C19 0.0(10) . . . . ?
O3 C22 N1 Ag1 1.7(11) . . . . ?
C21 C22 N1 Ag1 -179.2(5) . . . . ?
O1 C19 N1 C22 177.5(6) . . . . ?
N2 C19 N1 C22 -2.3(7) . . . . ?
O1 C19 N1 Ag1 -3.3(6) . . . . ?
N2 C19 N1 Ag1 176.9(3) . . . . ?
O2 C20 N2 C19 -179.8(4) . . . . ?
C21 C20 N2 C19 1.1(7) . . . . ?
O1 C19 N2 C20 -178.1(4) . . . . ?
N1 C19 N2 C20 1.7(6) . . . . ?
C8 C7 P1 C1 106.6(3) . . . . ?
C12 C7 P1 C1 -28.2(4) . . . . ?
C8 C7 P1 C13 -138.4(3) . . . . ?
C12 C7 P1 C13 86.8(3) . . . . ?
C8 C7 P1 Ag1 -16.6(4) . . . . ?
C12 C7 P1 Ag1 -151.3(3) . . . . ?
C2 C1 P1 C7 170.7(3) . . . . ?
C6 C1 P1 C7 -67.2(3) . . . . ?
C2 C1 P1 C13 57.0(3) . . . . ?
C6 C1 P1 C13 179.1(2) . . . . ?
C2 C1 P1 Ag1 -64.3(3) . . . . ?
C6 C1 P1 Ag1 57.8(3) . . . . ?
C18 C13 P1 C7 75.5(3) . . . . ?
C14 C13 P1 C7 -53.0(3) . . . . ?
C18 C13 P1 C1 -168.2(3) . . . . ?
C14 C13 P1 C1 63.3(3) . . . . ?
C18 C13 P1 Ag1 -47.6(3) . . . . ?
C14 C13 P1 Ag1 -176.1(2) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2 O2 0.86 2.05 2.907(4) 174.8 2_677
C7 H7 O1 0.98 2.55 3.517(5) 167.3 2_676

_refine_diff_density_max         0.939
_refine_diff_density_min         -0.582
_refine_diff_density_rms         0.055

# SQUEEZE RESULTS (Version = 160117)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 190 23 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          ?




