# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_l70+cu
_database_code_depnum_ccdc_archive 'CCDC 2178439'
loop_
_audit_author_name
_audit_author_address
'Li-Xin Wang'
;Yangtze University
China
;
_audit_update_record             
;
2022-06-11 deposited with the CCDC.	2022-09-13 downloaded from the CCDC.
;
_audit_creation_date             2021-07-26
_audit_creation_method           
;
Olex2 1.5-alpha
(compiled 2021.07.19 svn.r715e62df for OlexSys, GUI svn.r6380)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.235(C41.5 H32.8 Cu N9 P2)'
_chemical_formula_sum            'C9.76 H7.72 Cu0.24 N2.12 P0.47'
_chemical_formula_weight         184.25
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   18.9696(2)
_cell_length_b                   10.51280(10)
_cell_length_c                   19.2832(2)
_cell_angle_alpha                90
_cell_angle_beta                 89.9860(10)
_cell_angle_gamma                90
_cell_volume                     3845.53(7)
_cell_formula_units_Z            17
_cell_measurement_reflns_used    22721
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      73.8400
_cell_measurement_theta_min      4.6660
_shelx_estimated_absorpt_T_max   0.831
_shelx_estimated_absorpt_T_min   0.831
_exptl_absorpt_coefficient_mu    1.928
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79228
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.353
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1615
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0597
_diffrn_reflns_av_unetI/netI     0.0373
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            41771
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.149
_diffrn_reflns_theta_min         3.268
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -82.00 -34.00   0.50    1.00    --    0.00 -38.00-120.00   96
  2  ω    -66.00 -22.00   0.50    1.00    --    0.00 -38.00 -60.00   88
  3  ω    -16.00  87.00   0.50    1.00    --    0.00  38.00-120.00  206
  4  ω     33.00  69.00   0.50    5.20    --   95.20 -45.00   0.00   72
  5  ω     76.00 185.00   0.50    5.20    --   95.20  15.00-150.00  218
  6  ω      8.00 110.00   0.50    5.20    --   95.20 -30.00  30.00  204
  7  ω     23.00 124.00   0.50    5.20    --   95.20 -77.00-150.00  202
  8  ω    -62.00   7.00   0.50    1.00    --    0.00 -38.00   0.00  138
  9  ω    -29.00  -3.00   0.50    1.00    --    0.00 -38.00 120.00   52
 10  ω     46.00  78.00   0.50    1.00    --    0.00  38.00 -30.00   64
 11  ω    -51.00 -11.00   0.50    1.00    --    0.00 -38.00  60.00   80
 12  ω    -71.00 -33.00   0.50    1.00    --    0.00 -38.00 120.00   76
 13  ω     92.00 124.00   0.50    5.20    --   95.20 -82.00  90.00   64
 14  ω      8.00 119.00   0.50    5.20    --   95.20 -61.00 -90.00  222
 15  ω     84.00 113.00   0.50    5.20    --   95.20 -82.00 150.00   58
 16  ω     31.00  57.00   0.50    5.20    --   95.20 -82.00-150.00   52
 17  ω     77.00 103.00   0.50    5.20    --   95.20 -15.00 -90.00   52
 18  ω     81.00 108.00   0.50    5.20    --   95.20 -82.00-150.00   54
 19  ω     12.00  38.00   0.50    5.20    --   95.20 -82.00  60.00   52
 20  ω     52.00 127.00   0.50    5.20    --   95.20 -82.00  60.00  150
 21  ω     90.00 185.00   0.50    5.20    --   95.20  15.00 150.00  190
 22  ω     27.00  53.00   0.50    5.20    --   95.20 -61.00  30.00   52
 23  ω     79.00 176.00   0.50    5.20    --   95.20  30.00-120.00  194
 24  ω     25.00 127.00   0.50    5.20    --   95.20 -82.00 -90.00  204
 25  ω     56.00 118.00   0.50    5.20    --   95.20 -61.00  30.00  124
 26  ω      8.00  71.00   0.50    5.20    --   95.20 -15.00 -90.00  126
 27  ω     46.00  77.00   0.50    5.20    --   95.20 -82.00 150.00   62
 28  ω     93.00 119.00   0.50    5.20    --   95.20 -82.00-180.00   52
 29  ω     79.00 104.00   0.50    5.20    --   95.20 -82.00   0.00   50
 30  ω     85.00 110.00   0.50    5.20    --   95.20 -82.00 -30.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa dual home/near'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0707461000
_diffrn_orient_matrix_UB_12      -0.0334243000
_diffrn_orient_matrix_UB_13      0.0346904000
_diffrn_orient_matrix_UB_21      0.0382269000
_diffrn_orient_matrix_UB_22      -0.0937286000
_diffrn_orient_matrix_UB_23      0.0485342000
_diffrn_orient_matrix_UB_31      0.0112712000
_diffrn_orient_matrix_UB_32      0.1075995000
_diffrn_orient_matrix_UB_33      0.0531405000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6907
_reflns_number_total             7724
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.999
_refine_diff_density_min         -1.193
_refine_diff_density_rms         0.117
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     500
_refine_ls_number_reflns         7724
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0818
_refine_ls_R_factor_gt           0.0770
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1290P)²+10.5118P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2221
_refine_ls_wR_factor_ref         0.2266
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Rigid bond restraints
 C31, C32
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Others
 Fixed Sof: C40(0.7) C41(0.7) H41(0.7) C42(0.7) H42(0.7) C43(0.7) H43(0.7)
 C44(0.7) H44(0.7)
4.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6A), C5(H5), C15(H15), C27(H27), C25(H25), C13(H13), C14(H14),
 C26(H26), C23(H23), C11(H11), C24(H24), C12(H12), C35(H35), C17(H17), C36(H36),
  C21(H21), C18(H18), C19(H19), C33(H33), C37(H37), C39(H39), C38(H38),
 C29(H29), C20(H20), C31(H31), C32(H32), C30(H30), C41(H41), C42(H42), C43(H43),
  C44(H44), C8(H8)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.75759(3) 0.28544(5) 0.52608(3) 0.02663(19) Uani 1 1 d . . . . .
P1 P 0.66108(4) 0.25451(9) 0.59038(4) 0.0226(2) Uani 1 1 d . . . . .
P2 P 0.77569(6) 0.46594(10) 0.46450(5) 0.0383(3) Uani 1 1 d . . . . .
N1 N 0.78356(16) 0.1411(3) 0.45058(16) 0.0278(6) Uani 1 1 d . . . . .
N6 N 0.92747(18) -0.1940(3) 0.31148(17) 0.0319(7) Uani 1 1 d . . . . .
N2 N 0.85301(17) 0.2242(3) 0.56297(16) 0.0302(7) Uani 1 1 d . . . . .
N9 N 0.82521(17) -0.1917(4) 0.26166(17) 0.0340(7) Uani 1 1 d . . . . .
N3 N 0.89846(17) 0.2486(4) 0.61433(17) 0.0327(7) Uani 1 1 d . . . . .
N8 N 0.86819(19) -0.2772(4) 0.22993(18) 0.0367(8) Uani 1 1 d . . . . .
N5 N 0.94555(17) 0.0995(4) 0.54917(17) 0.0348(8) Uani 1 1 d . . . . .
N4 N 0.95362(17) 0.1735(4) 0.60536(17) 0.0357(8) Uani 1 1 d . . . . .
N7 N 0.93003(19) -0.2791(3) 0.25928(18) 0.0351(8) Uani 1 1 d . . . . .
C10 C 0.66130(18) 0.1210(3) 0.65104(18) 0.0249(7) Uani 1 1 d . . . . .
C7 C 0.86323(19) -0.1414(4) 0.31270(19) 0.0291(8) Uani 1 1 d . . . . .
C4 C 0.83786(19) -0.0432(4) 0.36087(19) 0.0284(8) Uani 1 1 d . . . . .
C2 C 0.84749(19) 0.0864(4) 0.46194(18) 0.0277(7) Uani 1 1 d . . . . .
C16 C 0.5837(2) 0.2239(4) 0.5369(2) 0.0308(8) Uani 1 1 d . . . . .
C1 C 0.88326(19) 0.1338(4) 0.52418(19) 0.0296(8) Uani 1 1 d . . . . .
C3 C 0.87651(19) -0.0049(4) 0.41854(19) 0.0303(8) Uani 1 1 d . . . . .
H3 H 0.920618 -0.039637 0.427739 0.036 Uiso 1 1 calc R U . . .
C6 C 0.7486(2) 0.1052(4) 0.39318(19) 0.0313(8) Uani 1 1 d . . . . .
H6A H 0.705828 0.144459 0.383388 0.038 Uiso 1 1 calc R U . . .
C5 C 0.7727(2) 0.0142(4) 0.34842(19) 0.0322(8) Uani 1 1 d . . . . .
H5 H 0.745892 -0.009336 0.310105 0.039 Uiso 1 1 calc R U . . .
C15 C 0.6005(2) 0.0541(4) 0.6684(2) 0.0312(8) Uani 1 1 d . . . . .
H15 H 0.558117 0.074147 0.646873 0.037 Uiso 1 1 calc R U . . .
C22 C 0.63294(17) 0.3877(3) 0.64477(18) 0.0233(7) Uani 1 1 d . . . . .
C27 C 0.6465(2) 0.5102(4) 0.6221(2) 0.0330(8) Uani 1 1 d . . . . .
H27 H 0.668493 0.522630 0.579507 0.040 Uiso 1 1 calc R U . . .
C25 C 0.5940(2) 0.5981(4) 0.7242(2) 0.0352(9) Uani 1 1 d . . . . .
H25 H 0.580369 0.668395 0.750240 0.042 Uiso 1 1 calc R U . . .
C13 C 0.6653(3) -0.0710(4) 0.7502(2) 0.0404(10) Uani 1 1 d . . . . .
H13 H 0.666909 -0.135262 0.783310 0.049 Uiso 1 1 calc R U . . .
C14 C 0.6024(2) -0.0416(4) 0.7172(2) 0.0367(9) Uani 1 1 d . . . . .
H14 H 0.561587 -0.086441 0.728018 0.044 Uiso 1 1 calc R U . . .
C26 C 0.6277(2) 0.6141(4) 0.6617(2) 0.0363(9) Uani 1 1 d . . . . .
H26 H 0.637923 0.695619 0.645952 0.044 Uiso 1 1 calc R U . . .
C23 C 0.5997(2) 0.3720(4) 0.7089(2) 0.0368(9) Uani 1 1 d . . . . .
H23 H 0.590257 0.290598 0.725294 0.044 Uiso 1 1 calc R U . . .
C11 C 0.7240(2) 0.0905(4) 0.6840(2) 0.0376(9) Uani 1 1 d . . . . .
H11 H 0.765255 0.133708 0.672859 0.045 Uiso 1 1 calc R U . . .
C24 C 0.5807(3) 0.4768(4) 0.7480(2) 0.0431(10) Uani 1 1 d . . . . .
H24 H 0.558769 0.465301 0.790721 0.052 Uiso 1 1 calc R U . . .
C28 C 0.8538(2) 0.4511(4) 0.4093(2) 0.0379(9) Uani 1 1 d . . . . .
C12 C 0.7248(3) -0.0047(5) 0.7337(3) 0.0470(11) Uani 1 1 d . . . . .
H12 H 0.766823 -0.023802 0.756209 0.056 Uiso 1 1 calc R U . . .
C35 C 0.6419(3) 0.4568(5) 0.4041(2) 0.0471(11) Uani 1 1 d . . . . .
H35 H 0.633037 0.394091 0.436922 0.057 Uiso 1 1 calc R U . . .
C17 C 0.5892(2) 0.1297(5) 0.4863(2) 0.0435(10) Uani 1 1 d . . . . .
H17 H 0.630056 0.081290 0.483115 0.052 Uiso 1 1 calc R U . . .
C36 C 0.5888(3) 0.4911(6) 0.3584(3) 0.0538(13) Uani 1 1 d . . . . .
H36 H 0.544626 0.453533 0.362436 0.065 Uiso 1 1 calc R U . . .
C34 C 0.7060(3) 0.5117(5) 0.4022(3) 0.0506(12) Uani 1 1 d . . . . .
C21 C 0.5223(3) 0.2929(5) 0.5414(3) 0.0599(16) Uani 1 1 d . . . . .
H21 H 0.517676 0.355727 0.575085 0.072 Uiso 1 1 calc R U . . .
C18 C 0.5345(3) 0.1079(6) 0.4410(3) 0.0576(14) Uani 1 1 d . . . . .
H18 H 0.539219 0.046486 0.406586 0.069 Uiso 1 1 calc R U . . .
C19 C 0.4734(4) 0.1757(6) 0.4461(4) 0.079(2) Uani 1 1 d . . . . .
H19 H 0.436197 0.158984 0.416068 0.095 Uiso 1 1 calc R U . . .
C33 C 0.9166(3) 0.5054(7) 0.4322(3) 0.0668(16) Uani 1 1 d . . . . .
H33 H 0.917724 0.553270 0.472765 0.080 Uiso 1 1 calc R U . . .
C37 C 0.6003(3) 0.5798(6) 0.3070(3) 0.0597(14) Uani 1 1 d . . . . .
H37 H 0.564428 0.602306 0.276516 0.072 Uiso 1 1 calc R U . . .
C39 C 0.7185(3) 0.5998(6) 0.3482(3) 0.0563(13) Uani 1 1 d . . . . .
H39 H 0.763088 0.635514 0.343608 0.068 Uiso 1 1 calc R U . . .
C38 C 0.6660(3) 0.6344(6) 0.3018(3) 0.0606(14) Uani 1 1 d . . . . .
H38 H 0.675184 0.694181 0.267453 0.073 Uiso 1 1 calc R U . . .
C29 C 0.8500(3) 0.3966(7) 0.3471(3) 0.0698(19) Uani 1 1 d . . . . .
H29 H 0.806400 0.371818 0.329755 0.084 Uiso 1 1 calc R U . . .
C20 C 0.4670(4) 0.2690(6) 0.4958(5) 0.090(3) Uani 1 1 d . . . . .
H20 H 0.425664 0.316136 0.498878 0.108 Uiso 1 1 calc R U . . .
C31 C 0.9729(4) 0.4070(9) 0.3313(4) 0.094(3) Uani 1 1 d . U . . .
H31 H 1.013736 0.379211 0.309320 0.113 Uiso 1 1 calc R U . . .
C32 C 0.9771(3) 0.4871(9) 0.3938(4) 0.086(2) Uani 1 1 d . U . . .
H32 H 1.019468 0.524363 0.407087 0.103 Uiso 1 1 calc R U . . .
C30 C 0.9111(4) 0.3758(8) 0.3073(4) 0.085(2) Uani 1 1 d . . . . .
H30 H 0.907288 0.339507 0.263429 0.102 Uiso 1 1 calc R U . . .
H6 H 0.969(3) -0.181(5) 0.336(3) 0.051(15) Uiso 1 1 d . . . . .
C40 C 0.7847(3) 0.6089(5) 0.5158(3) 0.0255(10) Uani 0.7 1 d . . P A 1
C41 C 0.7554(3) 0.7270(6) 0.5013(3) 0.0333(12) Uani 0.7 1 d . . P A 1
H41 H 0.729118 0.738193 0.461051 0.040 Uiso 0.7 1 calc R U P A 1
C42 C 0.7650(4) 0.8279(6) 0.5462(4) 0.0434(14) Uani 0.7 1 d . . P A 1
H42 H 0.744196 0.906008 0.536409 0.052 Uiso 0.7 1 calc R U P A 1
C43 C 0.8050(4) 0.8141(7) 0.6055(4) 0.0462(16) Uani 0.7 1 d . . P A 1
H43 H 0.811893 0.884123 0.634186 0.055 Uiso 0.7 1 calc R U P A 1
C44 C 0.8358(3) 0.6965(6) 0.6238(3) 0.0317(11) Uani 0.7 1 d . . P A 1
H44 H 0.863815 0.687812 0.663065 0.038 Uiso 0.7 1 calc R U P A 1
C8 C 0.8221(2) 0.5951(5) 0.5803(3) 0.0449(10) Uani 1 1 d . . . . .
H8 H 0.837650 0.514602 0.593241 0.054 Uiso 1 1 calc R U . A 1


_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
Cu1 P1 2.2347(10) . ?
Cu1 P2 2.2647(12) . ?
Cu1 N1 2.160(3) . ?
Cu1 N2 2.049(3) . ?
P1 C10 1.827(4) . ?
P1 C16 1.822(4) . ?
P1 C22 1.829(4) . ?
P2 C28 1.830(4) . ?
P2 C34 1.851(6) . ?
P2 C40 1.807(5) . ?
N1 C2 1.360(5) . ?
N1 C6 1.344(5) . ?
N6 N7 1.348(5) . ?
N6 C7 1.339(5) . ?
N6 H6 0.92(6) . ?
N2 N3 1.338(4) . ?
N2 C1 1.339(5) . ?
N9 N8 1.359(5) . ?
N9 C7 1.330(5) . ?
N3 N4 1.322(5) . ?
N8 N7 1.303(5) . ?
N5 N4 1.342(5) . ?
N5 C1 1.326(5) . ?
C10 C15 1.392(5) . ?
C10 C11 1.386(5) . ?
C7 C4 1.470(5) . ?
C4 C3 1.392(5) . ?
C4 C5 1.397(5) . ?
C2 C1 1.466(5) . ?
C2 C3 1.387(5) . ?
C16 C17 1.395(6) . ?
C16 C21 1.375(6) . ?
C3 H3 0.9300 . ?
C6 H6A 0.9300 . ?
C6 C5 1.367(6) . ?
C5 H5 0.9300 . ?
C15 H15 0.9300 . ?
C15 C14 1.378(6) . ?
C22 C27 1.384(5) . ?
C22 C23 1.397(5) . ?
C27 H27 0.9300 . ?
C27 C26 1.379(6) . ?
C25 H25 0.9300 . ?
C25 C26 1.375(6) . ?
C25 C24 1.379(6) . ?
C13 H13 0.9300 . ?
C13 C14 1.387(6) . ?
C13 C12 1.364(7) . ?
C14 H14 0.9300 . ?
C26 H26 0.9300 . ?
C23 H23 0.9300 . ?
C23 C24 1.383(6) . ?
C11 H11 0.9300 . ?
C11 C12 1.385(6) . ?
C24 H24 0.9300 . ?
C28 C33 1.393(7) . ?
C28 C29 1.331(7) . ?
C12 H12 0.9300 . ?
C35 H35 0.9300 . ?
C35 C36 1.386(7) . ?
C35 C34 1.346(8) . ?
C17 H17 0.9300 . ?
C17 C18 1.375(6) . ?
C36 H36 0.9300 . ?
C36 C37 1.377(8) . ?
C34 C39 1.413(7) . ?
C21 H21 0.9300 . ?
C21 C20 1.392(7) . ?
C18 H18 0.9300 . ?
C18 C19 1.364(9) . ?
C19 H19 0.9300 . ?
C19 C20 1.376(9) . ?
C33 H33 0.9300 . ?
C33 C32 1.379(9) . ?
C37 H37 0.9300 . ?
C37 C38 1.376(8) . ?
C39 H39 0.9300 . ?
C39 C38 1.386(8) . ?
C38 H38 0.9300 . ?
C29 H29 0.9300 . ?
C29 C30 1.407(8) . ?
C20 H20 0.9300 . ?
C31 H31 0.9300 . ?
C31 C32 1.473(12) . ?
C31 C30 1.303(11) . ?
C32 H32 0.9300 . ?
C30 H30 0.9300 . ?
C40 C41 1.389(8) . ?
C40 C8 1.439(7) . ?
C41 H41 0.9300 . ?
C41 C42 1.382(9) . ?
C42 H42 0.9300 . ?
C42 C43 1.380(10) . ?
C43 H43 0.9300 . ?
C43 C44 1.412(9) . ?
C44 H44 0.9300 . ?
C44 C8 1.381(7) . ?
C8 H8 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 Cu1 P2 122.48(4) . . ?
N1 Cu1 P1 117.28(9) . . ?
N1 Cu1 P2 101.58(9) . . ?
N2 Cu1 P1 119.04(10) . . ?
N2 Cu1 P2 108.15(10) . . ?
N2 Cu1 N1 79.16(12) . . ?
C10 P1 Cu1 117.71(12) . . ?
C10 P1 C22 102.81(16) . . ?
C16 P1 Cu1 111.82(13) . . ?
C16 P1 C10 103.21(17) . . ?
C16 P1 C22 102.98(17) . . ?
C22 P1 Cu1 116.47(12) . . ?
C28 P2 Cu1 110.87(15) . . ?
C28 P2 C34 102.9(2) . . ?
C34 P2 Cu1 116.76(18) . . ?
C40 P2 Cu1 115.08(17) . . ?
C40 P2 C28 108.2(2) . . ?
C40 P2 C34 101.9(2) . . ?
C2 N1 Cu1 113.1(2) . . ?
C6 N1 Cu1 129.8(3) . . ?
C6 N1 C2 117.0(3) . . ?
N7 N6 H6 117(3) . . ?
C7 N6 N7 108.7(3) . . ?
C7 N6 H6 135(3) . . ?
N3 N2 Cu1 140.0(3) . . ?
N3 N2 C1 105.9(3) . . ?
C1 N2 Cu1 114.1(2) . . ?
C7 N9 N8 105.7(3) . . ?
N4 N3 N2 107.4(3) . . ?
N7 N8 N9 110.8(3) . . ?
C1 N5 N4 103.8(3) . . ?
N3 N4 N5 111.2(3) . . ?
N8 N7 N6 106.4(3) . . ?
C15 C10 P1 122.7(3) . . ?
C11 C10 P1 118.3(3) . . ?
C11 C10 C15 118.9(3) . . ?
N6 C7 C4 126.8(3) . . ?
N9 C7 N6 108.5(3) . . ?
N9 C7 C4 124.7(3) . . ?
C3 C4 C7 122.4(3) . . ?
C3 C4 C5 118.6(3) . . ?
C5 C4 C7 119.0(3) . . ?
N1 C2 C1 113.7(3) . . ?
N1 C2 C3 123.3(3) . . ?
C3 C2 C1 123.1(3) . . ?
C17 C16 P1 117.5(3) . . ?
C21 C16 P1 123.6(3) . . ?
C21 C16 C17 118.8(4) . . ?
N2 C1 C2 120.0(3) . . ?
N5 C1 N2 111.8(3) . . ?
N5 C1 C2 128.2(3) . . ?
C4 C3 H3 120.9 . . ?
C2 C3 C4 118.2(3) . . ?
C2 C3 H3 120.9 . . ?
N1 C6 H6A 118.3 . . ?
N1 C6 C5 123.5(3) . . ?
C5 C6 H6A 118.3 . . ?
C4 C5 H5 120.4 . . ?
C6 C5 C4 119.3(3) . . ?
C6 C5 H5 120.4 . . ?
C10 C15 H15 119.6 . . ?
C14 C15 C10 120.8(4) . . ?
C14 C15 H15 119.6 . . ?
C27 C22 P1 118.5(3) . . ?
C27 C22 C23 118.2(3) . . ?
C23 C22 P1 123.3(3) . . ?
C22 C27 H27 119.6 . . ?
C26 C27 C22 120.9(4) . . ?
C26 C27 H27 119.6 . . ?
C26 C25 H25 120.3 . . ?
C26 C25 C24 119.3(4) . . ?
C24 C25 H25 120.3 . . ?
C14 C13 H13 120.3 . . ?
C12 C13 H13 120.3 . . ?
C12 C13 C14 119.4(4) . . ?
C15 C14 C13 119.9(4) . . ?
C15 C14 H14 120.1 . . ?
C13 C14 H14 120.1 . . ?
C27 C26 H26 119.7 . . ?
C25 C26 C27 120.6(4) . . ?
C25 C26 H26 119.7 . . ?
C22 C23 H23 119.8 . . ?
C24 C23 C22 120.4(4) . . ?
C24 C23 H23 119.8 . . ?
C10 C11 H11 120.2 . . ?
C12 C11 C10 119.6(4) . . ?
C12 C11 H11 120.2 . . ?
C25 C24 C23 120.5(4) . . ?
C25 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
C33 C28 P2 118.2(4) . . ?
C29 C28 P2 121.1(4) . . ?
C29 C28 C33 120.5(5) . . ?
C13 C12 C11 121.4(4) . . ?
C13 C12 H12 119.3 . . ?
C11 C12 H12 119.3 . . ?
C36 C35 H35 119.1 . . ?
C34 C35 H35 119.1 . . ?
C34 C35 C36 121.8(5) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.5(5) . . ?
C18 C17 H17 119.8 . . ?
C35 C36 H36 119.4 . . ?
C37 C36 C35 121.2(5) . . ?
C37 C36 H36 119.4 . . ?
C35 C34 P2 121.1(4) . . ?
C35 C34 C39 116.9(5) . . ?
C39 C34 P2 121.9(4) . . ?
C16 C21 H21 119.9 . . ?
C16 C21 C20 120.2(5) . . ?
C20 C21 H21 119.9 . . ?
C17 C18 H18 119.7 . . ?
C19 C18 C17 120.5(5) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 H19 120.1 . . ?
C18 C19 C20 119.8(5) . . ?
C20 C19 H19 120.1 . . ?
C28 C33 H33 120.5 . . ?
C32 C33 C28 119.0(6) . . ?
C32 C33 H33 120.5 . . ?
C36 C37 H37 120.7 . . ?
C38 C37 C36 118.5(5) . . ?
C38 C37 H37 120.7 . . ?
C34 C39 H39 119.1 . . ?
C38 C39 C34 121.8(5) . . ?
C38 C39 H39 119.1 . . ?
C37 C38 C39 119.6(5) . . ?
C37 C38 H38 120.2 . . ?
C39 C38 H38 120.2 . . ?
C28 C29 H29 119.5 . . ?
C28 C29 C30 121.0(5) . . ?
C30 C29 H29 119.5 . . ?
C21 C20 H20 119.9 . . ?
C19 C20 C21 120.2(6) . . ?
C19 C20 H20 119.9 . . ?
C32 C31 H31 120.5 . . ?
C30 C31 H31 120.5 . . ?
C30 C31 C32 119.0(6) . . ?
C33 C32 C31 118.3(6) . . ?
C33 C32 H32 120.8 . . ?
C31 C32 H32 120.8 . . ?
C29 C30 H30 119.8 . . ?
C31 C30 C29 120.5(6) . . ?
C31 C30 H30 119.8 . . ?
C41 C40 P2 126.5(4) . . ?
C41 C40 C8 117.5(5) . . ?
C8 C40 P2 115.8(4) . . ?
C40 C41 H41 119.7 . . ?
C42 C41 C40 120.5(6) . . ?
C42 C41 H41 119.7 . . ?
C41 C42 H42 119.6 . . ?
C43 C42 C41 120.7(6) . . ?
C43 C42 H42 119.6 . . ?
C42 C43 H43 119.1 . . ?
C42 C43 C44 121.8(6) . . ?
C44 C43 H43 119.1 . . ?
C43 C44 H44 121.7 . . ?
C8 C44 C43 116.5(5) . . ?
C8 C44 H44 121.7 . . ?
C40 C8 H8 118.7 . . ?
C44 C8 C40 122.6(5) . . ?
C44 C8 H8 118.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cu1 P1 C10 C15 -148.4(3) . . . . ?
Cu1 P1 C10 C11 35.5(4) . . . . ?
Cu1 P1 C16 C17 51.1(4) . . . . ?
Cu1 P1 C16 C21 -125.3(4) . . . . ?
Cu1 P1 C22 C27 30.9(3) . . . . ?
Cu1 P1 C22 C23 -147.8(3) . . . . ?
Cu1 P2 C28 C33 -99.7(4) . . . . ?
Cu1 P2 C28 C29 84.2(5) . . . . ?
Cu1 P2 C34 C35 13.8(5) . . . . ?
Cu1 P2 C34 C39 -162.4(4) . . . . ?
Cu1 P2 C40 C41 -138.1(4) . . . . ?
Cu1 P2 C40 C8 37.4(4) . . . . ?
Cu1 N1 C2 C1 2.2(4) . . . . ?
Cu1 N1 C2 C3 -177.3(3) . . . . ?
Cu1 N1 C6 C5 177.8(3) . . . . ?
Cu1 N2 N3 N4 -177.3(3) . . . . ?
Cu1 N2 C1 N5 178.5(3) . . . . ?
Cu1 N2 C1 C2 -0.8(5) . . . . ?
P1 C10 C15 C14 -176.5(3) . . . . ?
P1 C10 C11 C12 175.7(4) . . . . ?
P1 C16 C17 C18 -175.4(4) . . . . ?
P1 C16 C21 C20 175.9(6) . . . . ?
P1 C22 C27 C26 -178.6(3) . . . . ?
P1 C22 C23 C24 179.0(3) . . . . ?
P2 C28 C33 C32 175.2(5) . . . . ?
P2 C28 C29 C30 -174.7(6) . . . . ?
P2 C34 C39 C38 -179.6(5) . . . . ?
P2 C40 C41 C42 178.2(5) . . . . ?
P2 C40 C8 C44 177.2(4) . . . . ?
N1 C2 C1 N2 -1.1(5) . . . . ?
N1 C2 C1 N5 179.8(4) . . . . ?
N1 C2 C3 C4 -0.6(6) . . . . ?
N1 C6 C5 C4 -2.0(6) . . . . ?
N6 C7 C4 C3 -9.1(6) . . . . ?
N6 C7 C4 C5 170.8(4) . . . . ?
N2 N3 N4 N5 -0.2(5) . . . . ?
N9 N8 N7 N6 0.4(5) . . . . ?
N9 C7 C4 C3 171.9(4) . . . . ?
N9 C7 C4 C5 -8.2(6) . . . . ?
N3 N2 C1 N5 0.4(5) . . . . ?
N3 N2 C1 C2 -178.8(4) . . . . ?
N8 N9 C7 N6 0.5(5) . . . . ?
N8 N9 C7 C4 179.7(4) . . . . ?
N4 N5 C1 N2 -0.5(5) . . . . ?
N4 N5 C1 C2 178.6(4) . . . . ?
N7 N6 C7 N9 -0.3(5) . . . . ?
N7 N6 C7 C4 -179.5(4) . . . . ?
C10 P1 C16 C17 -76.4(4) . . . . ?
C10 P1 C16 C21 107.2(5) . . . . ?
C10 P1 C22 C27 161.1(3) . . . . ?
C10 P1 C22 C23 -17.5(3) . . . . ?
C10 C15 C14 C13 0.8(6) . . . . ?
C10 C11 C12 C13 1.1(8) . . . . ?
C7 N6 N7 N8 0.0(5) . . . . ?
C7 N9 N8 N7 -0.6(5) . . . . ?
C7 C4 C3 C2 -178.5(4) . . . . ?
C7 C4 C5 C6 179.8(4) . . . . ?
C2 N1 C6 C5 2.9(6) . . . . ?
C16 P1 C10 C15 -24.7(4) . . . . ?
C16 P1 C10 C11 159.2(3) . . . . ?
C16 P1 C22 C27 -91.8(3) . . . . ?
C16 P1 C22 C23 89.5(3) . . . . ?
C16 C17 C18 C19 -1.8(9) . . . . ?
C16 C21 C20 C19 0.3(12) . . . . ?
C1 N2 N3 N4 -0.2(4) . . . . ?
C1 N5 N4 N3 0.4(5) . . . . ?
C1 C2 C3 C4 179.9(4) . . . . ?
C3 C4 C5 C6 -0.4(6) . . . . ?
C3 C2 C1 N2 178.5(4) . . . . ?
C3 C2 C1 N5 -0.7(7) . . . . ?
C6 N1 C2 C1 177.9(3) . . . . ?
C6 N1 C2 C3 -1.6(6) . . . . ?
C5 C4 C3 C2 1.6(6) . . . . ?
C15 C10 C11 C12 -0.5(6) . . . . ?
C22 P1 C10 C15 82.1(3) . . . . ?
C22 P1 C10 C11 -94.0(3) . . . . ?
C22 P1 C16 C17 176.9(3) . . . . ?
C22 P1 C16 C21 0.5(5) . . . . ?
C22 C27 C26 C25 -1.1(6) . . . . ?
C22 C23 C24 C25 0.3(7) . . . . ?
C27 C22 C23 C24 0.3(6) . . . . ?
C14 C13 C12 C11 -0.7(8) . . . . ?
C26 C25 C24 C23 -1.3(7) . . . . ?
C23 C22 C27 C26 0.1(6) . . . . ?
C11 C10 C15 C14 -0.4(6) . . . . ?
C24 C25 C26 C27 1.7(7) . . . . ?
C28 P2 C34 C35 135.4(4) . . . . ?
C28 P2 C34 C39 -40.8(5) . . . . ?
C28 P2 C40 C41 97.3(5) . . . . ?
C28 P2 C40 C8 -87.2(4) . . . . ?
C28 C33 C32 C31 -2.0(11) . . . . ?
C28 C29 C30 C31 1.6(13) . . . . ?
C12 C13 C14 C15 -0.2(7) . . . . ?
C35 C36 C37 C38 0.0(9) . . . . ?
C35 C34 C39 C38 4.0(8) . . . . ?
C17 C16 C21 C20 -0.4(9) . . . . ?
C17 C18 C19 C20 1.7(11) . . . . ?
C36 C35 C34 P2 179.2(4) . . . . ?
C36 C35 C34 C39 -4.4(8) . . . . ?
C36 C37 C38 C39 -0.4(9) . . . . ?
C34 P2 C28 C33 134.8(5) . . . . ?
C34 P2 C28 C29 -41.4(6) . . . . ?
C34 P2 C40 C41 -10.7(5) . . . . ?
C34 P2 C40 C8 164.8(4) . . . . ?
C34 C35 C36 C37 2.6(8) . . . . ?
C34 C39 C38 C37 -1.6(9) . . . . ?
C21 C16 C17 C18 1.1(7) . . . . ?
C18 C19 C20 C21 -1.0(13) . . . . ?
C33 C28 C29 C30 9.3(11) . . . . ?
C29 C28 C33 C32 -8.6(10) . . . . ?
C32 C31 C30 C29 -12.2(13) . . . . ?
C30 C31 C32 C33 12.5(12) . . . . ?
C40 P2 C28 C33 27.4(5) . . . . ?
C40 P2 C28 C29 -148.7(5) . . . . ?
C40 P2 C34 C35 -112.5(4) . . . . ?
C40 P2 C34 C39 71.3(5) . . . . ?
C40 C41 C42 C43 1.4(10) . . . . ?
C41 C40 C8 C44 -6.8(8) . . . . ?
C41 C42 C43 C44 -2.0(10) . . . . ?
C42 C43 C44 C8 -1.8(9) . . . . ?
C43 C44 C8 C40 6.2(8) . . . . ?
C8 C40 C41 C42 2.8(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 5.836
_oxdiff_exptl_absorpt_empirical_full_min 0.436
####################################################################### 
# 
# 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_exp_7476
_database_code_depnum_ccdc_archive 'CCDC 2178440'
loop_
_audit_author_name
_audit_author_address
'Li-Xin Wang'
;Yangtze University
China
;
_audit_update_record             
;
2022-06-11 deposited with the CCDC.	2022-09-13 downloaded from the CCDC.
;
_audit_creation_date             2021-07-27
_audit_creation_method           
;
Olex2 1.5-alpha
(compiled 2021.07.19 svn.r715e62df for OlexSys, GUI svn.r6380)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C43 H34 Ag N9 P2'
_chemical_formula_sum            'C43 H34 Ag N9 P2'
_chemical_formula_weight         846.60
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   19.2853(9)
_cell_length_b                   10.8239(4)
_cell_length_c                   19.3211(8)
_cell_angle_alpha                90
_cell_angle_beta                 92.111(4)
_cell_angle_gamma                90
_cell_volume                     4030.4(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3208
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      69.9240
_cell_measurement_theta_min      5.1740
_shelx_estimated_absorpt_T_max   0.629
_shelx_estimated_absorpt_T_min   0.629
_exptl_absorpt_coefficient_mu    5.102
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.43893
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            white
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1728
_exptl_crystal_recrystallization_method ?edit
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0853
_diffrn_reflns_av_unetI/netI     0.0909
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            26014
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.614
_diffrn_reflns_theta_min         3.180
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.1281
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   -8.00   18.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -        0.0000   57.0000   90.0000 26

#__ type_ start__ end____ width___ exp.time_
  2 omega   25.00   63.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -        0.0000   57.0000   90.0000 38

#__ type_ start__ end____ width___ exp.time_
  3 omega   86.00  112.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -       56.4896  150.0000  -78.0000 26

#__ type_ start__ end____ width___ exp.time_
  4 omega  121.00  148.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      112.9792  178.0000  -60.0000 27

#__ type_ start__ end____ width___ exp.time_
  5 omega  118.00  172.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      112.9792  111.0000 -180.0000 54

#__ type_ start__ end____ width___ exp.time_
  6 omega   87.00  166.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      112.9792   50.0000 -150.0000 79

#__ type_ start__ end____ width___ exp.time_
  7 omega  104.00  136.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      112.9792   63.0000    0.0000 32

#__ type_ start__ end____ width___ exp.time_
  8 omega  143.00  171.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      112.9792   63.0000    0.0000 28

#__ type_ start__ end____ width___ exp.time_
  9 omega   70.00  116.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -       56.4896   61.0000  -90.0000 46

#__ type_ start__ end____ width___ exp.time_
 10 omega   51.00   91.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      112.9792  -25.0000 -150.0000 40

#__ type_ start__ end____ width___ exp.time_
 11 omega   55.00  104.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      112.9792  -50.0000 -180.0000 49

#__ type_ start__ end____ width___ exp.time_
 12 omega   59.00  108.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      112.9792 -111.0000  -60.0000 49

#__ type_ start__ end____ width___ exp.time_
 13 omega   72.00  116.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      112.9792 -111.0000   30.0000 44

#__ type_ start__ end____ width___ exp.time_
 14 omega   70.00  102.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      112.9792  -50.0000    0.0000 32

#__ type_ start__ end____ width___ exp.time_
 15 omega   64.00  139.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      112.9792  -77.0000   60.0000 75

#__ type_ start__ end____ width___ exp.time_
 16 omega   64.00   91.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      112.9792  -37.0000   90.0000 27

#__ type_ start__ end____ width___ exp.time_
 17 omega   49.00  172.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      112.9792  -12.0000    0.0000 123

#__ type_ start__ end____ width___ exp.time_
 18 omega   43.00  139.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      112.9792  -63.0000  -90.0000 96

#__ type_ start__ end____ width___ exp.time_
 19 omega   40.00   92.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      112.9792  -37.0000   60.0000 52

#__ type_ start__ end____ width___ exp.time_
 20 omega   27.00   74.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -       56.4896 -122.0000   37.0000 47

#__ type_ start__ end____ width___ exp.time_
 21 omega   42.00   92.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      112.9792  -37.0000  -90.0000 50

#__ type_ start__ end____ width___ exp.time_
 22 omega   41.00   83.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      112.9792  -25.0000 -180.0000 42

#__ type_ start__ end____ width___ exp.time_
 23 omega   34.00   60.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -       56.4896   61.0000  -90.0000 26

#__ type_ start__ end____ width___ exp.time_
 24 omega  -22.00   69.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -        0.0000   57.0000 -180.0000 91

#__ type_ start__ end____ width___ exp.time_
 25 omega   44.00   99.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      112.9792 -111.0000 -120.0000 55

#__ type_ start__ end____ width___ exp.time_
 26 omega   35.00  112.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -       56.4896 -125.0000 -180.0000 77

#__ type_ start__ end____ width___ exp.time_
 27 omega  -53.00   12.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      -56.4896   45.0000  120.0000 65

#__ type_ start__ end____ width___ exp.time_
 28 omega  -79.00  -40.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      -56.4896   61.0000  120.0000 39

#__ type_ start__ end____ width___ exp.time_
 29 omega  -81.00   13.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      -56.4896   61.0000  -30.0000 94

#__ type_ start__ end____ width___ exp.time_
 30 omega  -82.00  -34.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -        0.0000  178.0000  -90.0000 48

#__ type_ start__ end____ width___ exp.time_
 31 omega -125.00  -32.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      -56.4896  -61.0000 -180.0000 93

#__ type_ start__ end____ width___ exp.time_
 32 omega -130.00  -86.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      -56.4896  -94.0000 -120.0000 44

#__ type_ start__ end____ width___ exp.time_
 33 omega -128.00  -96.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      -56.4896  -94.0000    0.0000 32

#__ type_ start__ end____ width___ exp.time_
 34 omega -127.00  -81.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      -56.4896  -94.0000   90.0000 46
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0671698000
_diffrn_orient_matrix_UB_12      -0.0063796000
_diffrn_orient_matrix_UB_13      -0.0455412000
_diffrn_orient_matrix_UB_21      -0.0433419000
_diffrn_orient_matrix_UB_22      0.0156477000
_diffrn_orient_matrix_UB_23      0.0648699000
_diffrn_orient_matrix_UB_31      0.0017673000
_diffrn_orient_matrix_UB_32      0.1412778000
_diffrn_orient_matrix_UB_33      -0.0091841000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4695
_reflns_number_total             7814
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    
;
Superflip  (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         0.944
_refine_diff_density_min         -0.726
_refine_diff_density_rms         0.110
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     484
_refine_ls_number_reflns         7814
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.1160
_refine_ls_R_factor_gt           0.0660
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0948P)²+1.9387P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1678
_refine_ls_wR_factor_ref         0.2095
_refine_special_details          ?
_olex2_refinement_description    
;
1. Rigid bond restraints
 C34, C23
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
2. Uiso/Uaniso restraints and constraints
Uanis(C42) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C25) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C43) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3.a Aromatic/amide H refined with riding coordinates:
 N8(H8), C1(H1), C3(H3), C8(H8A), C11(H11), C12(H12), C14(H14), C15(H15),
 C16(H16), C17(H17), C18(H18), C19(H19), C1A(H1A), C1B(H1B), C1C(H1C), C21(H21),
  C22(H22), C23(H23), C24(H24), C27(H27), C28(H28), C29(H29), C30(H30),
 C31(H31), C33(H33), C34(H34), C38(H38), C39(H39), C41(H41), C42(H42), C36(H36),
  C35(H35), C40(H40), C43(H43)
3.b Fitted hexagon refined as free rotating group:
 C42(C25,C36,C35,C40,C43)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.47012(3) 0.21920(5) 0.25589(3) 0.04967(19) Uani 1 1 d . . . . .
P1 P 0.40069(9) 0.25553(16) 0.35565(9) 0.0428(4) Uani 1 1 d . . . . .
P2 P 0.53888(10) 0.03406(18) 0.22854(10) 0.0513(5) Uani 1 1 d . . . . .
N6 N 0.4371(3) 0.2964(6) 0.1483(3) 0.0546(15) Uani 1 1 d . . . . .
N7 N 0.5523(3) 0.3865(6) 0.2213(3) 0.0515(15) Uani 1 1 d . . . . .
N8 N 0.6854(3) 0.6986(6) 0.0710(3) 0.0559(16) Uani 1 1 d . . . . .
H8 H 0.655591 0.677283 0.037459 0.067 Uiso 1 1 calc R U . . .
N9 N 0.3885(3) 0.2688(6) 0.0998(3) 0.0593(17) Uani 1 1 d . . . . .
C10 C 0.5394(3) 0.4314(7) 0.1566(3) 0.0455(16) Uani 1 1 d . . . . .
C1 C 0.5813(3) 0.5193(7) 0.1265(3) 0.0468(16) Uani 1 1 d . . . . .
H1 H 0.570607 0.547823 0.080799 0.056 Uiso 1 1 calc R U . . .
N2 N 0.7684(4) 0.7851(6) 0.1259(4) 0.0634(17) Uani 1 1 d . . . . .
N3 N 0.7380(4) 0.7795(7) 0.0654(4) 0.0652(18) Uani 1 1 d . . . . .
C4 C 0.3397(3) 0.3848(6) 0.3507(3) 0.0409(14) Uani 1 1 d . . . . .
N5 N 0.4010(3) 0.3335(7) 0.0446(3) 0.0669(19) Uani 1 1 d . . . . .
N1 N 0.7378(3) 0.7089(6) 0.1715(3) 0.0602(17) Uani 1 1 d . . . . .
C7 C 0.6392(3) 0.5655(7) 0.1635(3) 0.0466(16) Uani 1 1 d . . . . .
N4 N 0.4569(3) 0.4051(7) 0.0551(3) 0.0668(19) Uani 1 1 d . . . . .
C9 C 0.4779(4) 0.3789(7) 0.1197(3) 0.0498(17) Uani 1 1 d . . . . .
C2 C 0.3471(3) 0.1239(7) 0.3777(3) 0.0459(16) Uani 1 1 d . . . . .
C3 C 0.3119(4) 0.4158(8) 0.2870(4) 0.064(2) Uani 1 1 d . . . . .
H3 H 0.325581 0.372080 0.247081 0.076 Uiso 1 1 calc R U . . .
C5 C 0.6039(4) -0.0115(7) 0.2939(4) 0.0517(17) Uani 1 1 d . . . . .
C6 C 0.6860(4) 0.6565(7) 0.1355(3) 0.0472(16) Uani 1 1 d . . . . .
C8 C 0.6521(4) 0.5184(8) 0.2302(4) 0.059(2) Uani 1 1 d . . . . .
H8A H 0.690642 0.547297 0.257667 0.071 Uiso 1 1 calc R U . . .
C11 C 0.6090(4) 0.4305(8) 0.2555(4) 0.063(2) Uani 1 1 d . . . . .
H11 H 0.619764 0.398303 0.300353 0.076 Uiso 1 1 calc R U . . .
C12 C 0.3353(5) -0.0995(8) 0.3830(6) 0.085(3) Uani 1 1 d . . . . .
H12 H 0.354163 -0.179231 0.375368 0.102 Uiso 1 1 calc R U . . .
C13 C 0.4538(4) 0.2831(7) 0.4338(4) 0.0492(16) Uani 1 1 d . . . . .
C14 C 0.3191(4) 0.4500(7) 0.4085(4) 0.0579(19) Uani 1 1 d . . . . .
H14 H 0.337742 0.428664 0.453119 0.070 Uiso 1 1 calc R U . . .
C15 C 0.2797(4) 0.1326(7) 0.4017(4) 0.0523(17) Uani 1 1 d . . . . .
H15 H 0.259386 0.211628 0.407751 0.063 Uiso 1 1 calc R U . . .
C16 C 0.2700(4) -0.0877(8) 0.4073(4) 0.061(2) Uani 1 1 d . . . . .
H16 H 0.243628 -0.158946 0.417687 0.074 Uiso 1 1 calc R U . . .
C17 C 0.2717(4) 0.5457(7) 0.4017(5) 0.066(2) Uani 1 1 d . . . . .
H17 H 0.258464 0.590595 0.441341 0.079 Uiso 1 1 calc R U . . .
C18 C 0.2642(5) 0.5102(9) 0.2803(5) 0.084(3) Uani 1 1 d . . . . .
H18 H 0.244919 0.530863 0.235881 0.100 Uiso 1 1 calc R U . . .
C19 C 0.2442(5) 0.5751(8) 0.3379(5) 0.073(2) Uani 1 1 d . . . . .
H19 H 0.211307 0.640135 0.332898 0.087 Uiso 1 1 calc R U . . .
C1A C 0.6026(4) 0.0385(8) 0.3592(4) 0.063(2) Uani 1 1 d . . . . .
H1A H 0.568237 0.098140 0.369036 0.076 Uiso 1 1 calc R U . . .
C1B C 0.7034(5) -0.1295(10) 0.3325(5) 0.089(3) Uani 1 1 d . . . . .
H1B H 0.737662 -0.189924 0.323434 0.106 Uiso 1 1 calc R U . . .
C1C C 0.2427(4) 0.0284(8) 0.4165(4) 0.062(2) Uani 1 1 d . . . . .
H1C H 0.197356 0.036495 0.433469 0.074 Uiso 1 1 calc R U . . .
C20 C 0.4851(4) -0.1031(8) 0.2177(5) 0.071(2) Uani 1 1 d . . . . .
C21 C 0.4359(6) 0.2511(10) 0.4992(5) 0.094(4) Uani 1 1 d . . . . .
H21 H 0.393192 0.209162 0.504470 0.113 Uiso 1 1 calc R U . . .
C22 C 0.3745(4) 0.0073(7) 0.3693(5) 0.068(2) Uani 1 1 d . . . . .
H22 H 0.420553 -0.001184 0.354000 0.082 Uiso 1 1 calc R U . . .
C23 C 0.4544(7) -0.3163(11) 0.2373(7) 0.105(4) Uani 1 1 d . U . . .
H23 H 0.464034 -0.393639 0.258851 0.126 Uiso 1 1 calc R U . . .
C24 C 0.6578(5) -0.0938(9) 0.2809(5) 0.079(3) Uani 1 1 d . . . . .
H24 H 0.662521 -0.125344 0.235474 0.095 Uiso 1 1 calc R U . . .
C27 C 0.6506(5) 0.0038(9) 0.4114(5) 0.074(2) Uani 1 1 d . . . . .
H27 H 0.648203 0.038068 0.456487 0.089 Uiso 1 1 calc R U . . .
C28 C 0.7004(5) -0.0790(10) 0.3971(5) 0.082(3) Uani 1 1 d . . . . .
H28 H 0.733593 -0.102283 0.432275 0.099 Uiso 1 1 calc R U . . .
C29 C 0.4761(8) 0.2761(12) 0.5577(6) 0.126(5) Uani 1 1 d . . . . .
H29 H 0.460868 0.256774 0.602616 0.151 Uiso 1 1 calc R U . . .
C30 C 0.5010(6) -0.2175(9) 0.2466(5) 0.088(3) Uani 1 1 d . . . . .
H30 H 0.543237 -0.228880 0.272651 0.106 Uiso 1 1 calc R U . . .
C31 C 0.5174(5) 0.3397(9) 0.4283(5) 0.081(3) Uani 1 1 d . . . . .
H31 H 0.531942 0.363281 0.383800 0.097 Uiso 1 1 calc R U . . .
C33 C 0.5599(6) 0.3628(12) 0.4844(7) 0.106(4) Uani 1 1 d . . . . .
H33 H 0.603552 0.401351 0.478697 0.127 Uiso 1 1 calc R U . . .
C34 C 0.3973(7) -0.3017(13) 0.1987(10) 0.141(6) Uani 1 1 d . U . . .
H34 H 0.369983 -0.371759 0.186089 0.170 Uiso 1 1 calc R U . . .
C38 C 0.5402(7) 0.3311(12) 0.5477(7) 0.115(5) Uani 1 1 d . . . . .
H38 H 0.570562 0.346506 0.586611 0.138 Uiso 1 1 calc R U . . .
C39 C 0.4218(6) -0.0926(11) 0.1879(7) 0.107(4) Uani 1 1 d . . . . .
H39 H 0.406566 -0.012924 0.173332 0.129 Uiso 1 1 calc R U . . .
C41 C 0.3774(7) -0.1908(14) 0.1771(8) 0.127(5) Uani 1 1 d . . . . .
H41 H 0.333232 -0.179129 0.154640 0.153 Uiso 1 1 calc R U . . .
C42 C 0.5636(4) -0.0203(8) 0.0914(4) 0.132(5) Uani 1 1 d G U . . .
H42 H 0.525264 -0.075144 0.093561 0.159 Uiso 1 1 calc R U . . .
C25 C 0.5866(3) 0.0434(7) 0.1503(3) 0.067(2) Uani 1 1 d G U . . .
C36 C 0.6427(4) 0.1237(8) 0.1472(4) 0.146(7) Uani 1 1 d G . . . .
H36 H 0.658406 0.167255 0.187486 0.176 Uiso 1 1 calc R U . . .
C35 C 0.6757(5) 0.1402(9) 0.0852(5) 0.183(9) Uani 1 1 d G . . . .
H35 H 0.714047 0.195022 0.083016 0.219 Uiso 1 1 calc R U . . .
C40 C 0.6527(5) 0.0764(10) 0.0262(3) 0.157(7) Uani 1 1 d G . . . .
H40 H 0.675297 0.087708 -0.016182 0.188 Uiso 1 1 calc R U . . .
C43 C 0.5966(5) -0.0038(9) 0.0294(3) 0.137(5) Uani 1 1 d G U . . .
H43 H 0.580906 -0.047376 -0.010911 0.165 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 2.4191(17) . ?
Ag1 P2 2.4709(19) . ?
Ag1 N6 2.308(6) . ?
Ag1 N7 2.513(6) . ?
P1 C4 1.828(7) . ?
P1 C2 1.820(7) . ?
P1 C13 1.817(7) . ?
P2 C5 1.815(8) . ?
P2 C20 1.819(9) . ?
P2 C25 1.801(5) . ?
N6 N9 1.335(8) . ?
N6 C9 1.325(8) . ?
N7 C10 1.355(8) . ?
N7 C11 1.344(9) . ?
N8 H8 0.8800 . ?
N8 N3 1.348(8) . ?
N8 C6 1.327(8) . ?
N9 N5 1.305(8) . ?
C10 C1 1.391(9) . ?
C10 C9 1.475(9) . ?
C1 H1 0.9500 . ?
C1 C7 1.397(9) . ?
N2 N3 1.289(9) . ?
N2 N1 1.358(9) . ?
C4 C3 1.366(9) . ?
C4 C14 1.392(9) . ?
N5 N4 1.337(8) . ?
N1 C6 1.324(9) . ?
C7 C6 1.455(10) . ?
C7 C8 1.399(9) . ?
N4 C9 1.328(9) . ?
C2 C15 1.398(9) . ?
C2 C22 1.380(10) . ?
C3 H3 0.9500 . ?
C3 C18 1.378(11) . ?
C5 C1A 1.373(10) . ?
C5 C24 1.398(10) . ?
C8 H8A 0.9500 . ?
C8 C11 1.366(10) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C12 C16 1.365(11) . ?
C12 C22 1.413(11) . ?
C13 C21 1.365(12) . ?
C13 C31 1.379(11) . ?
C14 H14 0.9500 . ?
C14 C17 1.384(11) . ?
C15 H15 0.9500 . ?
C15 C1C 1.370(10) . ?
C16 H16 0.9500 . ?
C16 C1C 1.376(11) . ?
C17 H17 0.9500 . ?
C17 C19 1.363(12) . ?
C18 H18 0.9500 . ?
C18 C19 1.381(12) . ?
C19 H19 0.9500 . ?
C1A H1A 0.9500 . ?
C1A C27 1.394(12) . ?
C1B H1B 0.9500 . ?
C1B C24 1.361(12) . ?
C1B C28 1.367(13) . ?
C1C H1C 0.9500 . ?
C20 C30 1.387(12) . ?
C20 C39 1.335(13) . ?
C21 H21 0.9500 . ?
C21 C29 1.373(13) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C23 C30 1.404(15) . ?
C23 C34 1.317(17) . ?
C24 H24 0.9500 . ?
C27 H27 0.9500 . ?
C27 C28 1.349(13) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C29 C38 1.392(17) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C31 C33 1.357(13) . ?
C33 H33 0.9500 . ?
C33 C38 1.339(16) . ?
C34 H34 0.9500 . ?
C34 C41 1.323(18) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
C39 C41 1.376(15) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C42 C25 1.3900 . ?
C42 C43 1.3900 . ?
C25 C36 1.3900 . ?
C36 H36 0.9500 . ?
C36 C35 1.3900 . ?
C35 H35 0.9500 . ?
C35 C40 1.3900 . ?
C40 H40 0.9500 . ?
C40 C43 1.3900 . ?
C43 H43 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Ag1 P2 128.27(7) . . ?
P1 Ag1 N7 117.90(15) . . ?
P2 Ag1 N7 100.29(16) . . ?
N6 Ag1 P1 121.07(16) . . ?
N6 Ag1 P2 103.51(17) . . ?
N6 Ag1 N7 69.84(19) . . ?
C4 P1 Ag1 117.2(2) . . ?
C2 P1 Ag1 113.3(2) . . ?
C2 P1 C4 104.0(3) . . ?
C13 P1 Ag1 112.2(2) . . ?
C13 P1 C4 105.1(3) . . ?
C13 P1 C2 103.9(3) . . ?
C5 P2 Ag1 115.7(2) . . ?
C5 P2 C20 103.6(4) . . ?
C20 P2 Ag1 112.2(3) . . ?
C25 P2 Ag1 115.4(3) . . ?
C25 P2 C5 103.7(3) . . ?
C25 P2 C20 104.9(4) . . ?
N9 N6 Ag1 135.6(4) . . ?
C9 N6 Ag1 118.1(5) . . ?
C9 N6 N9 105.7(6) . . ?
C10 N7 Ag1 114.1(4) . . ?
C11 N7 Ag1 129.3(5) . . ?
C11 N7 C10 116.4(6) . . ?
N3 N8 H8 125.7 . . ?
C6 N8 H8 125.7 . . ?
C6 N8 N3 108.5(6) . . ?
N5 N9 N6 107.9(6) . . ?
N7 C10 C1 122.8(6) . . ?
N7 C10 C9 115.2(6) . . ?
C1 C10 C9 122.0(6) . . ?
C10 C1 H1 120.1 . . ?
C10 C1 C7 119.7(6) . . ?
C7 C1 H1 120.1 . . ?
N3 N2 N1 111.5(6) . . ?
N2 N3 N8 106.0(6) . . ?
C3 C4 P1 117.7(5) . . ?
C3 C4 C14 119.0(7) . . ?
C14 C4 P1 123.3(5) . . ?
N9 N5 N4 111.0(6) . . ?
C6 N1 N2 104.8(6) . . ?
C1 C7 C6 123.1(6) . . ?
C1 C7 C8 117.0(6) . . ?
C8 C7 C6 119.9(6) . . ?
C9 N4 N5 103.6(6) . . ?
N6 C9 C10 122.5(6) . . ?
N6 C9 N4 111.7(6) . . ?
N4 C9 C10 125.8(6) . . ?
C15 C2 P1 124.6(6) . . ?
C22 C2 P1 117.7(5) . . ?
C22 C2 C15 117.8(7) . . ?
C4 C3 H3 119.9 . . ?
C4 C3 C18 120.3(8) . . ?
C18 C3 H3 119.9 . . ?
C1A C5 P2 119.8(6) . . ?
C1A C5 C24 117.0(8) . . ?
C24 C5 P2 123.2(6) . . ?
N8 C6 C7 126.7(6) . . ?
N1 C6 N8 109.2(6) . . ?
N1 C6 C7 124.1(6) . . ?
C7 C8 H8A 120.2 . . ?
C11 C8 C7 119.5(7) . . ?
C11 C8 H8A 120.2 . . ?
N7 C11 C8 124.5(7) . . ?
N7 C11 H11 117.8 . . ?
C8 C11 H11 117.8 . . ?
C16 C12 H12 120.2 . . ?
C16 C12 C22 119.6(8) . . ?
C22 C12 H12 120.2 . . ?
C21 C13 P1 125.0(6) . . ?
C21 C13 C31 116.0(8) . . ?
C31 C13 P1 119.0(6) . . ?
C4 C14 H14 119.7 . . ?
C17 C14 C4 120.7(7) . . ?
C17 C14 H14 119.7 . . ?
C2 C15 H15 119.6 . . ?
C1C C15 C2 120.7(7) . . ?
C1C C15 H15 119.6 . . ?
C12 C16 H16 120.3 . . ?
C12 C16 C1C 119.5(8) . . ?
C1C C16 H16 120.3 . . ?
C14 C17 H17 120.2 . . ?
C19 C17 C14 119.7(7) . . ?
C19 C17 H17 120.2 . . ?
C3 C18 H18 119.8 . . ?
C3 C18 C19 120.5(8) . . ?
C19 C18 H18 119.8 . . ?
C17 C19 C18 119.9(8) . . ?
C17 C19 H19 120.1 . . ?
C18 C19 H19 120.1 . . ?
C5 C1A H1A 119.2 . . ?
C5 C1A C27 121.6(8) . . ?
C27 C1A H1A 119.2 . . ?
C24 C1B H1B 119.8 . . ?
C24 C1B C28 120.5(9) . . ?
C28 C1B H1B 119.8 . . ?
C15 C1C C16 121.3(8) . . ?
C15 C1C H1C 119.3 . . ?
C16 C1C H1C 119.3 . . ?
C30 C20 P2 124.4(7) . . ?
C39 C20 P2 119.2(8) . . ?
C39 C20 C30 115.8(10) . . ?
C13 C21 H21 118.0 . . ?
C13 C21 C29 123.9(10) . . ?
C29 C21 H21 118.0 . . ?
C2 C22 C12 121.0(8) . . ?
C2 C22 H22 119.5 . . ?
C12 C22 H22 119.5 . . ?
C30 C23 H23 120.1 . . ?
C34 C23 H23 120.1 . . ?
C34 C23 C30 119.9(13) . . ?
C5 C24 H24 119.5 . . ?
C1B C24 C5 121.0(9) . . ?
C1B C24 H24 119.5 . . ?
C1A C27 H27 120.3 . . ?
C28 C27 C1A 119.3(9) . . ?
C28 C27 H27 120.3 . . ?
C1B C28 H28 119.8 . . ?
C27 C28 C1B 120.4(9) . . ?
C27 C28 H28 119.8 . . ?
C21 C29 H29 121.7 . . ?
C21 C29 C38 116.6(11) . . ?
C38 C29 H29 121.7 . . ?
C20 C30 C23 119.8(11) . . ?
C20 C30 H30 120.1 . . ?
C23 C30 H30 120.1 . . ?
C13 C31 H31 118.9 . . ?
C33 C31 C13 122.3(10) . . ?
C33 C31 H31 118.9 . . ?
C31 C33 H33 120.0 . . ?
C38 C33 C31 119.9(11) . . ?
C38 C33 H33 120.0 . . ?
C23 C34 H34 119.5 . . ?
C23 C34 C41 121.0(14) . . ?
C41 C34 H34 119.5 . . ?
C29 C38 H38 119.4 . . ?
C33 C38 C29 121.2(11) . . ?
C33 C38 H38 119.4 . . ?
C20 C39 H39 118.2 . . ?
C20 C39 C41 123.6(12) . . ?
C41 C39 H39 118.2 . . ?
C34 C41 C39 118.8(14) . . ?
C34 C41 H41 120.6 . . ?
C39 C41 H41 120.6 . . ?
C25 C42 H42 120.0 . . ?
C25 C42 C43 120.0 . . ?
C43 C42 H42 120.0 . . ?
C42 C25 P2 120.1(4) . . ?
C36 C25 P2 119.6(4) . . ?
C36 C25 C42 120.0 . . ?
C25 C36 H36 120.0 . . ?
C25 C36 C35 120.0 . . ?
C35 C36 H36 120.0 . . ?
C36 C35 H35 120.0 . . ?
C40 C35 C36 120.0 . . ?
C40 C35 H35 120.0 . . ?
C35 C40 H40 120.0 . . ?
C35 C40 C43 120.0 . . ?
C43 C40 H40 120.0 . . ?
C42 C43 H43 120.0 . . ?
C40 C43 C42 120.0 . . ?
C40 C43 H43 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 P1 C4 C3 30.2(7) . . . . ?
Ag1 P1 C4 C14 -151.6(5) . . . . ?
Ag1 P1 C2 C15 -142.3(6) . . . . ?
Ag1 P1 C2 C22 36.7(7) . . . . ?
Ag1 P1 C13 C21 -148.2(8) . . . . ?
Ag1 P1 C13 C31 31.3(8) . . . . ?
Ag1 P2 C5 C1A 13.8(7) . . . . ?
Ag1 P2 C5 C24 -164.3(7) . . . . ?
Ag1 P2 C20 C30 -134.6(8) . . . . ?
Ag1 P2 C20 C39 36.3(11) . . . . ?
Ag1 P2 C25 C42 -105.2(5) . . . . ?
Ag1 P2 C25 C36 68.7(5) . . . . ?
Ag1 N6 N9 N5 -170.7(6) . . . . ?
Ag1 N6 C9 C10 -6.0(10) . . . . ?
Ag1 N6 C9 N4 173.1(5) . . . . ?
Ag1 N7 C10 C1 -176.3(6) . . . . ?
Ag1 N7 C10 C9 2.9(8) . . . . ?
Ag1 N7 C11 C8 176.7(6) . . . . ?
P1 C4 C3 C18 178.2(7) . . . . ?
P1 C4 C14 C17 -178.8(6) . . . . ?
P1 C2 C15 C1C 179.4(6) . . . . ?
P1 C2 C22 C12 -177.8(8) . . . . ?
P1 C13 C21 C29 -178.1(10) . . . . ?
P1 C13 C31 C33 -179.8(9) . . . . ?
P2 C5 C1A C27 178.4(7) . . . . ?
P2 C5 C24 C1B -177.0(8) . . . . ?
P2 C20 C30 C23 177.4(9) . . . . ?
P2 C20 C39 C41 179.7(11) . . . . ?
P2 C25 C36 C35 -174.0(6) . . . . ?
N6 N9 N5 N4 -0.4(10) . . . . ?
N7 C10 C1 C7 -0.5(11) . . . . ?
N7 C10 C9 N6 1.8(11) . . . . ?
N7 C10 C9 N4 -177.1(8) . . . . ?
N9 N6 C9 C10 -178.7(7) . . . . ?
N9 N6 C9 N4 0.3(9) . . . . ?
N9 N5 N4 C9 0.6(10) . . . . ?
C10 N7 C11 C8 1.9(13) . . . . ?
C10 C1 C7 C6 179.4(7) . . . . ?
C10 C1 C7 C8 0.6(11) . . . . ?
C1 C10 C9 N6 -179.0(7) . . . . ?
C1 C10 C9 N4 2.0(12) . . . . ?
C1 C7 C6 N8 -7.2(12) . . . . ?
C1 C7 C6 N1 174.3(7) . . . . ?
C1 C7 C8 C11 0.5(12) . . . . ?
N2 N1 C6 N8 0.2(9) . . . . ?
N2 N1 C6 C7 179.0(7) . . . . ?
N3 N8 C6 N1 0.2(9) . . . . ?
N3 N8 C6 C7 -178.5(7) . . . . ?
N3 N2 N1 C6 -0.6(9) . . . . ?
C4 P1 C2 C15 -14.1(7) . . . . ?
C4 P1 C2 C22 165.0(6) . . . . ?
C4 P1 C13 C21 83.4(9) . . . . ?
C4 P1 C13 C31 -97.0(7) . . . . ?
C4 C3 C18 C19 0.4(15) . . . . ?
C4 C14 C17 C19 1.0(13) . . . . ?
N5 N4 C9 N6 -0.6(10) . . . . ?
N5 N4 C9 C10 178.4(7) . . . . ?
N1 N2 N3 N8 0.7(9) . . . . ?
C7 C8 C11 N7 -1.9(14) . . . . ?
C9 N6 N9 N5 0.0(9) . . . . ?
C9 C10 C1 C7 -179.6(7) . . . . ?
C2 P1 C4 C3 -95.6(6) . . . . ?
C2 P1 C4 C14 82.6(7) . . . . ?
C2 P1 C13 C21 -25.5(9) . . . . ?
C2 P1 C13 C31 154.1(7) . . . . ?
C2 C15 C1C C16 -1.1(12) . . . . ?
C3 C4 C14 C17 -0.6(12) . . . . ?
C3 C18 C19 C17 0.0(16) . . . . ?
C5 P2 C20 C30 -9.0(10) . . . . ?
C5 P2 C20 C39 161.8(9) . . . . ?
C5 P2 C25 C42 127.2(5) . . . . ?
C5 P2 C25 C36 -58.9(5) . . . . ?
C5 C1A C27 C28 1.4(14) . . . . ?
C6 N8 N3 N2 -0.5(9) . . . . ?
C6 C7 C8 C11 -178.3(7) . . . . ?
C8 C7 C6 N8 171.5(8) . . . . ?
C8 C7 C6 N1 -7.0(11) . . . . ?
C11 N7 C10 C1 -0.7(11) . . . . ?
C11 N7 C10 C9 178.5(7) . . . . ?
C12 C16 C1C C15 0.1(13) . . . . ?
C13 P1 C4 C3 155.5(6) . . . . ?
C13 P1 C4 C14 -26.3(7) . . . . ?
C13 P1 C2 C15 95.7(7) . . . . ?
C13 P1 C2 C22 -85.3(7) . . . . ?
C13 C21 C29 C38 -4(2) . . . . ?
C13 C31 C33 C38 -1(2) . . . . ?
C14 C4 C3 C18 -0.1(13) . . . . ?
C14 C17 C19 C18 -0.6(14) . . . . ?
C15 C2 C22 C12 1.3(13) . . . . ?
C16 C12 C22 C2 -2.3(15) . . . . ?
C1A C5 C24 C1B 4.9(14) . . . . ?
C1A C27 C28 C1B -0.8(15) . . . . ?
C20 P2 C5 C1A -109.4(7) . . . . ?
C20 P2 C5 C24 72.4(8) . . . . ?
C20 P2 C25 C42 18.8(6) . . . . ?
C20 P2 C25 C36 -167.3(5) . . . . ?
C20 C39 C41 C34 2(2) . . . . ?
C21 C13 C31 C33 -0.1(16) . . . . ?
C21 C29 C38 C33 3(2) . . . . ?
C22 C2 C15 C1C 0.3(11) . . . . ?
C22 C12 C16 C1C 1.5(15) . . . . ?
C23 C34 C41 C39 8(3) . . . . ?
C24 C5 C1A C27 -3.3(13) . . . . ?
C24 C1B C28 C27 2.3(17) . . . . ?
C28 C1B C24 C5 -4.4(17) . . . . ?
C30 C20 C39 C41 -9(2) . . . . ?
C30 C23 C34 C41 -11(2) . . . . ?
C31 C13 C21 C29 2.3(17) . . . . ?
C31 C33 C38 C29 -1(2) . . . . ?
C34 C23 C30 C20 3(2) . . . . ?
C39 C20 C30 C23 6.3(17) . . . . ?
C42 C25 C36 C35 0.0 . . . . ?
C25 P2 C5 C1A 141.2(7) . . . . ?
C25 P2 C5 C24 -36.9(8) . . . . ?
C25 P2 C20 C30 99.5(10) . . . . ?
C25 P2 C20 C39 -89.7(10) . . . . ?
C25 C42 C43 C40 0.0 . . . . ?
C25 C36 C35 C40 0.0 . . . . ?
C36 C35 C40 C43 0.0 . . . . ?
C35 C40 C43 C42 0.0 . . . . ?
C43 C42 C25 P2 173.9(6) . . . . ?
C43 C42 C25 C36 0.0 . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
