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

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

data_Cu2-MeCN
_database_code_depnum_ccdc_archive 'CCDC 1923228'
loop_
_audit_author_name
_audit_author_address
'Yue Wang'
;Chongqing University of Education
China
;
_audit_update_record             
;
2019-06-16 deposited with the CCDC.	2019-08-06 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         ?
_chemical_formula_sum            'C38 H34 Cl2 Cu2 N4 O8 P2'
_chemical_formula_weight         934.61

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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                   8.1484(6)
_cell_length_b                   11.1597(9)
_cell_length_c                   12.1161(9)
_cell_angle_alpha                64.235(3)
_cell_angle_beta                 87.836(3)
_cell_angle_gamma                81.558(3)
_cell_volume                     981.06(13)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9931
_cell_measurement_theta_min      3.09
_cell_measurement_theta_max      27.51

_exptl_crystal_description       Bloc
_exptl_crystal_colour            white
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.582
_exptl_crystal_F_000             476
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.32
_exptl_absorpt_coefficient_mu    1.359
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.586
_exptl_absorpt_correction_T_max  0.647
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20491
_diffrn_reflns_av_unetI/netI     0.0310
_diffrn_reflns_av_R_equivalents  0.0393
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_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         2.528
_diffrn_reflns_theta_max         27.523
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             4509
_reflns_number_gt                4062
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0470P)²+0.3335P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4509
_refine_ls_number_parameters     265
_refine_ls_number_restraints     27
_refine_ls_R_factor_all          0.0319
_refine_ls_R_factor_gt           0.0263
_refine_ls_wR_factor_ref         0.0895
_refine_ls_wR_factor_gt          0.0779
_refine_ls_goodness_of_fit_ref   1.171
_refine_ls_restrained_S_all      1.180
_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
Cu1 Cu 0.52841(3) 0.56972(2) 0.59779(2) 0.01522(9) Uani 1 1 d . . . . .
P1 P 0.38659(6) 0.32918(5) 0.59029(4) 0.01195(11) Uani 1 1 d . . . . .
Cl1 Cl 0.75301(5) 0.76455(5) 0.89209(4) 0.01724(11) Uani 1 1 d . . . . .
O1 O 0.91292(19) 0.77223(17) 0.93399(15) 0.0303(4) Uani 1 1 d . . . . .
O2 O 0.62551(19) 0.80861(16) 0.95741(14) 0.0267(3) Uani 1 1 d . . . . .
O3 O 0.7317(2) 0.85019(16) 0.76277(13) 0.0316(4) Uani 1 1 d . . . . .
O4 O 0.7439(2) 0.62740(15) 0.91563(15) 0.0283(3) Uani 1 1 d . . . . .
N1 N 0.60745(19) 0.37544(16) 0.71772(14) 0.0142(3) Uani 1 1 d . . . . .
N2 N 0.4420(2) 0.64520(17) 0.71035(15) 0.0188(3) Uani 1 1 d . . . . .
C1 C 0.2911(2) 0.18127(18) 0.61809(16) 0.0140(3) Uani 1 1 d . . . . .
C2 C 0.1812(3) 0.1283(2) 0.71323(18) 0.0201(4) Uani 1 1 d . . . . .
H2A H 0.160782 0.165260 0.770672 0.024 Uiso 1 1 calc R U . . .
C3 C 0.1024(3) 0.0222(2) 0.72358(19) 0.0232(4) Uani 1 1 d . . . . .
H3A H 0.027973 -0.013347 0.788181 0.028 Uiso 1 1 calc R U . . .
C4 C 0.1315(3) -0.0324(2) 0.63998(19) 0.0216(4) Uani 1 1 d . . . . .
H4A H 0.075745 -0.104233 0.646697 0.026 Uiso 1 1 calc R U . . .
C5 C 0.2420(3) 0.0178(2) 0.54685(19) 0.0212(4) Uani 1 1 d . . . . .
H5A H 0.263838 -0.020814 0.490733 0.025 Uiso 1 1 calc R U . . .
C6 C 0.3210(2) 0.12515(19) 0.53556(18) 0.0172(4) Uani 1 1 d . . . . .
H6A H 0.395744 0.160125 0.471057 0.021 Uiso 1 1 calc R U . . .
C7 C 0.2394(2) 0.43935(18) 0.63474(16) 0.0132(3) Uani 1 1 d . . . . .
C8 C 0.1661(2) 0.56148(19) 0.54247(17) 0.0156(4) Uani 1 1 d . . . . .
H8A H 0.192624 0.584199 0.459367 0.019 Uiso 1 1 calc R U . . .
C9 C 0.0547(2) 0.6501(2) 0.57107(18) 0.0186(4) Uani 1 1 d . . . . .
H9A H 0.007516 0.733907 0.507882 0.022 Uiso 1 1 calc R U . . .
C10 C 0.0126(2) 0.6161(2) 0.69181(18) 0.0181(4) Uani 1 1 d . . . . .
H10A H -0.066024 0.675468 0.711119 0.022 Uiso 1 1 calc R U . . .
C11 C 0.0855(2) 0.4951(2) 0.78493(17) 0.0169(4) Uani 1 1 d . . . . .
H11A H 0.057258 0.472474 0.867721 0.020 Uiso 1 1 calc R U . . .
C12 C 0.1992(2) 0.40753(19) 0.75719(17) 0.0151(4) Uani 1 1 d . . . . .
H12A H 0.249960 0.325794 0.821133 0.018 Uiso 1 1 calc R U . . .
C13 C 0.5451(2) 0.27227(19) 0.71230(16) 0.0140(4) Uani 1 1 d . . . . .
C14 C 0.6004(2) 0.1387(2) 0.79042(18) 0.0186(4) Uani 1 1 d . . . . .
H14A H 0.554669 0.068090 0.784548 0.022 Uiso 1 1 calc R U . . .
C15 C 0.7251(3) 0.1109(2) 0.87800(18) 0.0215(4) Uani 1 1 d . . . . .
H15A H 0.765098 0.020608 0.933095 0.026 Uiso 1 1 calc R U . . .
C16 C 0.7892(2) 0.2157(2) 0.88353(18) 0.0201(4) Uani 1 1 d . . . . .
H16A H 0.875140 0.198582 0.941559 0.024 Uiso 1 1 calc R U . . .
C17 C 0.7267(2) 0.3465(2) 0.80332(17) 0.0182(4) Uani 1 1 d . . . . .
H17A H 0.769471 0.418512 0.808876 0.022 Uiso 1 1 calc R U . . .
C18 C 0.3893(2) 0.66161(19) 0.79196(18) 0.0174(4) Uani 1 1 d . . . . .
C19 C 0.3216(3) 0.6795(2) 0.89732(19) 0.0226(4) Uani 1 1 d D U . . .
H19C H 0.1989(14) 0.707(2) 0.876(2) 0.045(5) Uiso 1 1 d D U . . .
H19B H 0.382(3) 0.7501(19) 0.900(2) 0.044(5) Uiso 1 1 d D U . . .
H19A H 0.347(3) 0.5868(14) 0.967(2) 0.046(5) Uiso 1 1 d D 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
Cu1 N2 1.9537(17) . ?
Cu1 N1 2.0368(16) . ?
Cu1 P1 2.1956(5) 2_666 ?
P1 C1 1.8212(19) . ?
P1 C7 1.8258(19) . ?
P1 C13 1.8288(19) . ?
Cl1 O3 1.4383(15) . ?
Cl1 O2 1.4400(16) . ?
Cl1 O1 1.4435(15) . ?
Cl1 O4 1.4428(16) . ?
N1 C17 1.348(2) . ?
N1 C13 1.352(2) . ?
N2 C18 1.139(3) . ?
C1 C6 1.390(3) . ?
C1 C2 1.402(3) . ?
C2 C3 1.385(3) . ?
C2 H2A 0.9500 . ?
C3 C4 1.390(3) . ?
C3 H3A 0.9500 . ?
C4 C5 1.385(3) . ?
C4 H4A 0.9500 . ?
C5 C6 1.395(3) . ?
C5 H5A 0.9500 . ?
C6 H6A 0.9500 . ?
C7 C8 1.397(2) . ?
C7 C12 1.405(3) . ?
C8 C9 1.390(3) . ?
C8 H8A 0.9500 . ?
C9 C10 1.385(3) . ?
C9 H9A 0.9500 . ?
C10 C11 1.393(3) . ?
C10 H10A 0.9500 . ?
C11 C12 1.386(3) . ?
C11 H11A 0.9500 . ?
C12 H12A 0.9500 . ?
C13 C14 1.389(3) . ?
C14 C15 1.399(3) . ?
C14 H14A 0.9500 . ?
C15 C16 1.377(3) . ?
C15 H15A 0.9500 . ?
C16 C17 1.386(3) . ?
C16 H16A 0.9500 . ?
C17 H17A 0.9500 . ?
C18 C19 1.452(3) . ?
C19 H19C 1.011(9) . ?
C19 H19B 1.001(9) . ?
C19 H19A 1.007(9) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Cu1 N1 100.91(7) . . ?
N2 Cu1 P1 129.79(5) . 2_666 ?
N1 Cu1 P1 125.27(5) . 2_666 ?
C1 P1 C7 107.55(8) . . ?
C1 P1 C13 105.31(8) . . ?
C7 P1 C13 100.14(8) . . ?
C1 P1 Cu1 113.42(6) . 2_666 ?
C7 P1 Cu1 113.22(6) . 2_666 ?
C13 P1 Cu1 115.99(6) . 2_666 ?
O3 Cl1 O2 109.69(10) . . ?
O3 Cl1 O1 109.32(10) . . ?
O2 Cl1 O1 108.85(10) . . ?
O3 Cl1 O4 109.86(10) . . ?
O2 Cl1 O4 109.71(10) . . ?
O1 Cl1 O4 109.39(10) . . ?
C17 N1 C13 118.24(16) . . ?
C17 N1 Cu1 120.42(13) . . ?
C13 N1 Cu1 121.33(12) . . ?
C18 N2 Cu1 165.53(17) . . ?
C6 C1 C2 119.24(17) . . ?
C6 C1 P1 117.74(14) . . ?
C2 C1 P1 122.87(15) . . ?
C3 C2 C1 120.08(19) . . ?
C3 C2 H2A 120.0 . . ?
C1 C2 H2A 120.0 . . ?
C2 C3 C4 120.36(19) . . ?
C2 C3 H3A 119.8 . . ?
C4 C3 H3A 119.8 . . ?
C5 C4 C3 119.97(18) . . ?
C5 C4 H4A 120.0 . . ?
C3 C4 H4A 120.0 . . ?
C4 C5 C6 119.91(19) . . ?
C4 C5 H5A 120.0 . . ?
C6 C5 H5A 120.0 . . ?
C1 C6 C5 120.42(18) . . ?
C1 C6 H6A 119.8 . . ?
C5 C6 H6A 119.8 . . ?
C8 C7 C12 118.92(17) . . ?
C8 C7 P1 118.13(14) . . ?
C12 C7 P1 122.94(14) . . ?
C9 C8 C7 120.65(17) . . ?
C9 C8 H8A 119.7 . . ?
C7 C8 H8A 119.7 . . ?
C10 C9 C8 119.93(18) . . ?
C10 C9 H9A 120.0 . . ?
C8 C9 H9A 120.0 . . ?
C9 C10 C11 120.08(18) . . ?
C9 C10 H10A 120.0 . . ?
C11 C10 H10A 120.0 . . ?
C12 C11 C10 120.22(18) . . ?
C12 C11 H11A 119.9 . . ?
C10 C11 H11A 119.9 . . ?
C11 C12 C7 120.17(17) . . ?
C11 C12 H12A 119.9 . . ?
C7 C12 H12A 119.9 . . ?
N1 C13 C14 122.53(17) . . ?
N1 C13 P1 112.50(13) . . ?
C14 C13 P1 124.96(15) . . ?
C13 C14 C15 118.31(19) . . ?
C13 C14 H14A 120.8 . . ?
C15 C14 H14A 120.8 . . ?
C16 C15 C14 119.32(18) . . ?
C16 C15 H15A 120.3 . . ?
C14 C15 H15A 120.3 . . ?
C15 C16 C17 119.13(18) . . ?
C15 C16 H16A 120.4 . . ?
C17 C16 H16A 120.4 . . ?
N1 C17 C16 122.46(19) . . ?
N1 C17 H17A 118.8 . . ?
C16 C17 H17A 118.8 . . ?
N2 C18 C19 178.8(2) . . ?
C18 C19 H19C 103.1(17) . . ?
C18 C19 H19B 103.7(17) . . ?
H19C C19 H19B 115.7(17) . . ?
C18 C19 H19A 103.3(17) . . ?
H19C C19 H19A 112.3(16) . . ?
H19B C19 H19A 116.4(17) . . ?

_refine_diff_density_max         0.449
_refine_diff_density_min         -0.460
_refine_diff_density_rms         0.128

####################################################################### 
# 
# 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_Ag2-MeCN
_database_code_depnum_ccdc_archive 'CCDC 1923229'
loop_
_audit_author_name
_audit_author_address
'Yue Wang'
;Chongqing University of Education
China
;
_audit_update_record             
;
2019-06-16 deposited with the CCDC.	2019-08-06 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         ?
_chemical_formula_sum            'C44 H43 Ag2 Cl2 N7 O8 P2'
_chemical_formula_weight         1146.43

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'
Cl Cl 0.1484 0.1585 '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'
P P 0.1023 0.0942 '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                   10.5412(4)
_cell_length_b                   14.2159(6)
_cell_length_c                   16.8559(6)
_cell_angle_alpha                71.2940(10)
_cell_angle_beta                 88.8160(10)
_cell_angle_gamma                86.6360(10)
_cell_volume                     2388.35(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9905
_cell_measurement_theta_min      2.52
_cell_measurement_theta_max      27.13

_exptl_crystal_description       Needle
_exptl_crystal_colour            White
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.594
_exptl_crystal_F_000             1156
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_exptl_absorpt_coefficient_mu    1.057
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.816
_exptl_absorpt_correction_T_max  0.881
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            38350
_diffrn_reflns_av_unetI/netI     0.0287
_diffrn_reflns_av_R_equivalents  0.0316
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.271
_diffrn_reflns_theta_max         27.134
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             10520
_reflns_number_gt                9436
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0555P)²+5.6399P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10520
_refine_ls_number_parameters     663
_refine_ls_number_restraints     119
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0395
_refine_ls_wR_factor_ref         0.1141
_refine_ls_wR_factor_gt          0.1034
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_restrained_S_all      1.330
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.87496(2) 1.05261(2) 0.53568(2) 0.01778(8) Uani 1 1 d . . . . .
Ag2 Ag 1.13480(2) 0.44028(2) -0.01651(2) 0.01759(8) Uani 1 1 d . . . . .
P1 P 0.95663(7) 0.97931(6) 0.36395(5) 0.01580(16) Uani 1 1 d . . . . .
P2 P 1.01888(8) 0.54738(6) 0.12251(5) 0.01698(17) Uani 1 1 d . . . . .
Cl1 Cl 0.51965(8) 0.54094(7) 0.66966(6) 0.0315(2) Uani 1 1 d . . . . .
O1 O 0.6353(4) 0.5834(5) 0.6773(3) 0.119(3) Uani 1 1 d . . . . .
O2 O 0.4438(3) 0.6121(2) 0.60900(19) 0.0444(8) Uani 1 1 d . . . . .
O3 O 0.4545(3) 0.5118(2) 0.74961(17) 0.0353(6) Uani 1 1 d . . . . .
O4 O 0.5400(6) 0.4567(3) 0.6418(3) 0.105(2) Uani 1 1 d . . . . .
N1 N 0.8496(2) 1.1411(2) 0.39567(17) 0.0173(5) Uani 1 1 d . . . . .
N2 N 1.1379(3) 0.3739(2) 0.12610(17) 0.0196(6) Uani 1 1 d . . . . .
N3 N 0.6902(3) 0.9680(2) 0.5676(2) 0.0273(7) Uani 1 1 d . . . . .
N4 N 1.3202(3) 0.5234(2) -0.05866(19) 0.0257(6) Uani 1 1 d . . . . .
N5 N 1.2588(4) 0.2829(3) -0.0263(3) 0.0565(12) Uani 1 1 d . . . . .
N6 N 0.9672(3) 0.3933(3) 0.4482(2) 0.0342(7) Uani 1 1 d . . . . .
N7 N 0.7498(3) 1.1921(2) 0.5829(2) 0.0303(7) Uani 1 1 d . . . . .
C1 C 1.0000(3) 0.9617(3) 0.26387(19) 0.0200(6) Uani 1 1 d . . . . .
C2 C 1.1202(3) 0.9846(3) 0.2325(2) 0.0239(7) Uani 1 1 d . . . . .
H2A H 1.179026 1.005394 0.264590 0.029 Uiso 1 1 calc R U . . .
C3 C 1.1566(3) 0.9778(3) 0.1546(2) 0.0296(8) Uani 1 1 d . . . . .
H3A H 1.238627 0.996340 0.132919 0.035 Uiso 1 1 calc R U . . .
C4 C 1.0744(4) 0.9445(4) 0.1095(3) 0.0437(11) Uani 1 1 d . . . . .
H4A H 1.100367 0.935971 0.057851 0.052 Uiso 1 1 calc R U . . .
C5 C 0.9539(6) 0.9234(7) 0.1396(3) 0.091(3) Uani 1 1 d . . . . .
H5A H 0.895396 0.902930 0.107051 0.109 Uiso 1 1 calc R U . . .
C6 C 0.9157(5) 0.9313(5) 0.2166(3) 0.0657(19) Uani 1 1 d . . . . .
H6A H 0.832101 0.915944 0.236655 0.079 Uiso 1 1 calc R U . . .
C7 C 0.8228(3) 0.9025(2) 0.40291(19) 0.0186(6) Uani 1 1 d . . . . .
C8 C 0.7008(3) 0.9290(3) 0.3696(2) 0.0305(8) Uani 1 1 d . . . . .
H8A H 0.685117 0.989868 0.325655 0.037 Uiso 1 1 calc R U . . .
C9 C 0.6026(4) 0.8667(4) 0.4005(3) 0.0379(10) Uani 1 1 d . . . . .
H9A H 0.519444 0.885279 0.378085 0.045 Uiso 1 1 calc R U . . .
C10 C 0.6253(4) 0.7768(3) 0.4643(2) 0.0319(9) Uani 1 1 d . . . . .
H10A H 0.557970 0.733839 0.484971 0.038 Uiso 1 1 calc R U . . .
C11 C 0.7462(4) 0.7501(3) 0.4975(2) 0.0246(7) Uani 1 1 d . . . . .
H11A H 0.761655 0.688858 0.541069 0.030 Uiso 1 1 calc R U . . .
C12 C 0.8446(3) 0.8124(2) 0.4675(2) 0.0199(6) Uani 1 1 d . . . . .
H12A H 0.927156 0.794030 0.490775 0.024 Uiso 1 1 calc R U . . .
C13 C 0.8841(3) 1.1064(2) 0.3319(2) 0.0176(6) Uani 1 1 d . . . . .
C14 C 0.8685(3) 1.1644(3) 0.2486(2) 0.0236(7) Uani 1 1 d . . . . .
H14A H 0.894181 1.138660 0.204963 0.028 Uiso 1 1 calc R U . . .
C15 C 0.8149(3) 1.2607(3) 0.2300(2) 0.0277(8) Uani 1 1 d . . . . .
H15A H 0.804113 1.301808 0.173459 0.033 Uiso 1 1 calc R U . . .
C16 C 0.7777(3) 1.2959(3) 0.2948(2) 0.0243(7) Uani 1 1 d . . . . .
H16A H 0.740041 1.361251 0.283652 0.029 Uiso 1 1 calc R U . . .
C17 C 0.7964(3) 1.2337(3) 0.3769(2) 0.0210(7) Uani 1 1 d . . . . .
H17A H 0.770402 1.257776 0.421500 0.025 Uiso 1 1 calc R U . . .
C18 C 0.9562(3) 0.5933(3) 0.2053(2) 0.0245(7) Uani 1 1 d . . . . .
C19 C 1.0303(5) 0.6382(5) 0.2478(3) 0.0549(15) Uani 1 1 d . . . . .
H19A H 1.118384 0.643984 0.235472 0.066 Uiso 1 1 calc R U . . .
C20 C 0.9763(5) 0.6752(5) 0.3089(3) 0.0611(17) Uani 1 1 d . . . . .
H20A H 1.027622 0.705852 0.338163 0.073 Uiso 1 1 calc R U . . .
C21 C 0.8493(5) 0.6672(3) 0.3265(3) 0.0422(11) Uani 1 1 d . . . . .
H21A H 0.812601 0.692915 0.367782 0.051 Uiso 1 1 calc R U . . .
C22 C 0.7737(4) 0.6221(3) 0.2847(2) 0.0305(8) Uani 1 1 d . . . . .
H22A H 0.685683 0.616397 0.297447 0.037 Uiso 1 1 calc R U . . .
C23 C 0.8272(3) 0.5851(3) 0.2240(2) 0.0228(7) Uani 1 1 d . . . . .
H23A H 0.775610 0.554072 0.195199 0.027 Uiso 1 1 calc R U . . .
C24 C 1.1569(3) 0.6194(2) 0.0840(2) 0.0189(6) Uani 1 1 d . . . . .
C25 C 1.1404(3) 0.7055(3) 0.0148(2) 0.0230(7) Uani 1 1 d . . . . .
H25A H 1.059883 0.722638 -0.011877 0.028 Uiso 1 1 calc R U . . .
C26 C 1.2409(4) 0.7658(3) -0.0150(2) 0.0277(8) Uani 1 1 d . . . . .
H26A H 1.229002 0.824513 -0.061625 0.033 Uiso 1 1 calc R U . . .
C27 C 1.3590(3) 0.7404(3) 0.0233(2) 0.0282(8) Uani 1 1 d . . . . .
H27A H 1.428061 0.781581 0.002573 0.034 Uiso 1 1 calc R U . . .
C28 C 1.3762(3) 0.6546(3) 0.0922(2) 0.0259(7) Uani 1 1 d . . . . .
H28A H 1.457165 0.637189 0.118146 0.031 Uiso 1 1 calc R U . . .
C29 C 1.2754(3) 0.5946(3) 0.1230(2) 0.0214(7) Uani 1 1 d . . . . .
H29A H 1.287028 0.536799 0.170522 0.026 Uiso 1 1 calc R U . . .
C30 C 1.0872(3) 0.4226(3) 0.1772(2) 0.0202(7) Uani 1 1 d . . . . .
C31 C 1.0844(4) 0.3792(3) 0.2637(2) 0.0327(9) Uani 1 1 d . . . . .
H31A H 1.047890 0.414692 0.298371 0.039 Uiso 1 1 calc R U . . .
C32 C 1.1361(4) 0.2829(3) 0.2982(2) 0.0416(12) Uani 1 1 d . . . . .
H32A H 1.134538 0.251165 0.357157 0.050 Uiso 1 1 calc R U . . .
C33 C 1.1894(4) 0.2338(3) 0.2466(3) 0.0387(11) Uani 1 1 d . . . . .
H33A H 1.226125 0.168080 0.269173 0.046 Uiso 1 1 calc R U . . .
C34 C 1.1887(3) 0.2816(3) 0.1612(2) 0.0280(8) Uani 1 1 d . . . . .
H34A H 1.226059 0.247396 0.125758 0.034 Uiso 1 1 calc R U . . .
C35 C 0.6073(3) 0.9186(3) 0.5903(2) 0.0265(7) Uani 1 1 d . . . . .
C36 C 0.5010(4) 0.8547(3) 0.6202(3) 0.0363(9) Uani 1 1 d D . . . .
C37 C 1.4034(3) 0.5716(3) -0.0861(2) 0.0234(7) Uani 1 1 d . . . . .
C38 C 1.5093(3) 0.6338(3) -0.1218(2) 0.0292(8) Uani 1 1 d D . . . .
C39 C 1.3037(4) 0.2307(4) -0.0574(3) 0.0447(11) Uani 1 1 d D . . . .
C40 C 1.3628(5) 0.1645(6) -0.0986(4) 0.073(2) Uani 1 1 d D . . . .
C41 C 0.8825(4) 0.4256(3) 0.4757(2) 0.0282(8) Uani 1 1 d . . . . .
C42 C 0.7734(4) 0.4670(3) 0.5106(3) 0.0393(10) Uani 1 1 d D . . . .
C43 C 0.7075(4) 1.2100(3) 0.6393(3) 0.0323(8) Uani 1 1 d . . . . .
C44 C 0.6525(7) 1.2318(4) 0.7119(4) 0.0664(18) Uani 1 1 d D . . . .
H36C H 0.462(4) 0.859(4) 0.6801(15) 0.072(19) Uiso 1 1 d D . . . .
H36B H 0.536(5) 0.7782(16) 0.628(3) 0.062(17) Uiso 1 1 d D . . . .
H38C H 1.474(5) 0.7122(16) -0.141(3) 0.10(2) Uiso 1 1 d D . . . .
H38B H 1.547(5) 0.616(4) -0.1769(18) 0.08(2) Uiso 1 1 d D . . . .
H36A H 0.429(4) 0.880(3) 0.571(2) 0.073(19) Uiso 1 1 d D . . . .
H42C H 0.683(4) 0.448(5) 0.490(4) 0.16(4) Uiso 1 1 d D . . . .
H42B H 0.781(6) 0.438(4) 0.5790(8) 0.09(2) Uiso 1 1 d D . . . .
H42A H 0.779(7) 0.5482(10) 0.489(4) 0.13(3) Uiso 1 1 d D . . . .
H38A H 1.584(3) 0.622(4) -0.075(2) 0.072(19) Uiso 1 1 d D . . . .
H40A H 1.462(2) 0.182(3) -0.116(3) 0.17(4) Uiso 1 1 d D . . . .
H40B H 1.310(4) 0.169(3) -0.156(2) 0.18(4) Uiso 1 1 d D . . . .
H40C H 1.361(4) 0.0869(10) -0.0563(18) 0.060(18) Uiso 1 1 d D . . . .
H44A H 0.608(5) 1.3072(16) 0.696(4) 0.09(2) Uiso 1 1 d D . . . .
H44B H 0.733(5) 1.224(4) 0.754(4) 0.18(5) Uiso 1 1 d D . . . .
H44C H 0.583(4) 1.176(3) 0.741(4) 0.12(3) Uiso 1 1 d D . . . .
Cl2 Cl 0.50510(8) 0.93993(6) 0.82573(6) 0.02542(18) Uani 0.696(6) 1 d D U P A 1
O5 O 0.4390(7) 1.0292(5) 0.8238(5) 0.085(2) Uani 0.696(6) 1 d D U P A 1
O6 O 0.5993(7) 0.9493(10) 0.7652(6) 0.144(4) Uani 0.696(6) 1 d D U P A 1
O7 O 0.5517(5) 0.9127(5) 0.9076(3) 0.0755(16) Uani 0.696(6) 1 d D U P A 1
O8 O 0.4072(5) 0.8781(4) 0.8095(3) 0.0417(13) Uani 0.696(6) 1 d D U P A 1
Cl2' Cl 0.50510(8) 0.93993(6) 0.82573(6) 0.02542(18) Uani 0.304(6) 1 d D U P A
2
O6' O 0.5765(8) 0.9671(6) 0.7393(4) 0.0191(19) Uiso 0.304(6) 1 d D U P A 2
O7' O 0.6052(8) 0.8689(6) 0.8240(6) 0.039(2) Uiso 0.304(6) 1 d D U P A 2
O5' O 0.5137(7) 1.0453(4) 0.7829(4) 0.0165(17) Uiso 0.304(6) 1 d D U P A 2
O8' O 0.3819(7) 0.9101(8) 0.8249(7) 0.029(3) Uiso 0.304(6) 1 d D 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
Ag1 N1 2.304(3) . ?
Ag1 N3 2.312(3) . ?
Ag1 P1 2.3993(8) 2_776 ?
Ag1 Ag1 3.3458(5) 2_776 ?
Ag2 N2 2.284(3) . ?
Ag2 N4 2.322(3) . ?
Ag2 P2 2.3943(8) 2_765 ?
Ag2 N5 2.574(4) . ?
Ag2 Ag2 3.3533(5) 2_765 ?
P1 C7 1.816(3) . ?
P1 C1 1.828(3) . ?
P1 C13 1.836(3) . ?
P2 C24 1.815(3) . ?
P2 C18 1.818(3) . ?
P2 C30 1.829(4) . ?
Cl1 O2 1.409(3) . ?
Cl1 O1 1.418(4) . ?
Cl1 O4 1.423(4) . ?
Cl1 O3 1.448(3) . ?
N1 C17 1.341(4) . ?
N1 C13 1.355(4) . ?
N2 C34 1.338(5) . ?
N2 C30 1.352(4) . ?
N3 C35 1.135(5) . ?
N4 C37 1.142(5) . ?
N5 C39 1.118(6) . ?
N6 C41 1.138(5) . ?
N7 C43 1.136(5) . ?
C1 C2 1.379(5) . ?
C1 C6 1.380(5) . ?
C2 C3 1.392(5) . ?
C2 H2A 0.9500 . ?
C3 C4 1.363(5) . ?
C3 H3A 0.9500 . ?
C4 C5 1.372(7) . ?
C4 H4A 0.9500 . ?
C5 C6 1.388(6) . ?
C5 H5A 0.9500 . ?
C6 H6A 0.9500 . ?
C7 C8 1.396(5) . ?
C7 C12 1.399(5) . ?
C8 C9 1.384(5) . ?
C8 H8A 0.9500 . ?
C9 C10 1.393(6) . ?
C9 H9A 0.9500 . ?
C10 C11 1.385(6) . ?
C10 H10A 0.9500 . ?
C11 C12 1.383(5) . ?
C11 H11A 0.9500 . ?
C12 H12A 0.9500 . ?
C13 C14 1.388(4) . ?
C14 C15 1.390(5) . ?
C14 H14A 0.9500 . ?
C15 C16 1.381(5) . ?
C15 H15A 0.9500 . ?
C16 C17 1.394(5) . ?
C16 H16A 0.9500 . ?
C17 H17A 0.9500 . ?
C18 C19 1.381(5) . ?
C18 C23 1.394(5) . ?
C19 C20 1.395(6) . ?
C19 H19A 0.9500 . ?
C20 C21 1.369(7) . ?
C20 H20A 0.9500 . ?
C21 C22 1.385(6) . ?
C21 H21A 0.9500 . ?
C22 C23 1.387(5) . ?
C22 H22A 0.9500 . ?
C23 H23A 0.9500 . ?
C24 C29 1.397(5) . ?
C24 C25 1.398(5) . ?
C25 C26 1.385(5) . ?
C25 H25A 0.9500 . ?
C26 C27 1.388(5) . ?
C26 H26A 0.9500 . ?
C27 C28 1.394(5) . ?
C27 H27A 0.9500 . ?
C28 C29 1.387(5) . ?
C28 H28A 0.9500 . ?
C29 H29A 0.9500 . ?
C30 C31 1.388(5) . ?
C31 C32 1.387(6) . ?
C31 H31A 0.9500 . ?
C32 C33 1.373(7) . ?
C32 H32A 0.9500 . ?
C33 C34 1.380(5) . ?
C33 H33A 0.9500 . ?
C34 H34A 0.9500 . ?
C35 C36 1.462(5) . ?
C36 H36C 1.097(10) . ?
C36 H36B 1.097(10) . ?
C36 H36A 1.093(10) . ?
C37 C38 1.462(5) . ?
C38 H38C 1.100(10) . ?
C38 H38B 1.098(10) . ?
C38 H38A 1.095(10) . ?
C39 C40 1.445(7) . ?
C40 H40A 1.101(9) . ?
C40 H40B 1.106(9) . ?
C40 H40C 1.106(9) . ?
C41 C42 1.459(5) . ?
C42 H42C 1.098(10) . ?
C42 H42B 1.096(10) . ?
C42 H42A 1.099(10) . ?
C43 C44 1.458(6) . ?
C44 H44A 1.096(10) . ?
C44 H44B 1.099(10) . ?
C44 H44C 1.096(10) . ?
Cl2 O6 1.389(6) . ?
Cl2 O7 1.400(5) . ?
Cl2 O5 1.403(5) . ?
Cl2 O8 1.478(4) . ?
Cl2' O8' 1.391(7) . ?
Cl2' O7' 1.423(7) . ?
Cl2' O5' 1.447(6) . ?
Cl2' O6' 1.570(7) . ?
O6' O5' 1.622(10) . ?
O6' O7' 1.664(11) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N3 102.69(10) . . ?
N1 Ag1 P1 135.91(7) . 2_776 ?
N3 Ag1 P1 120.94(8) . 2_776 ?
N1 Ag1 Ag1 82.58(7) . 2_776 ?
N3 Ag1 Ag1 118.68(8) . 2_776 ?
P1 Ag1 Ag1 71.79(2) 2_776 2_776 ?
N2 Ag2 N4 108.04(10) . . ?
N2 Ag2 P2 134.45(7) . 2_765 ?
N4 Ag2 P2 117.25(8) . 2_765 ?
N2 Ag2 N5 89.30(12) . . ?
N4 Ag2 N5 87.27(14) . . ?
P2 Ag2 N5 97.07(12) 2_765 . ?
N2 Ag2 Ag2 83.99(7) . 2_765 ?
N4 Ag2 Ag2 121.40(8) . 2_765 ?
P2 Ag2 Ag2 69.12(2) 2_765 2_765 ?
N5 Ag2 Ag2 151.24(11) . 2_765 ?
C7 P1 C1 105.61(15) . . ?
C7 P1 C13 103.44(15) . . ?
C1 P1 C13 102.80(15) . . ?
C7 P1 Ag1 112.79(11) . 2_776 ?
C1 P1 Ag1 115.72(11) . 2_776 ?
C13 P1 Ag1 115.14(10) . 2_776 ?
C24 P2 C18 104.18(15) . . ?
C24 P2 C30 103.69(15) . . ?
C18 P2 C30 104.72(16) . . ?
C24 P2 Ag2 113.80(11) . 2_765 ?
C18 P2 Ag2 112.91(12) . 2_765 ?
C30 P2 Ag2 116.28(10) . 2_765 ?
O2 Cl1 O1 108.6(3) . . ?
O2 Cl1 O4 107.2(3) . . ?
O1 Cl1 O4 111.9(4) . . ?
O2 Cl1 O3 110.19(18) . . ?
O1 Cl1 O3 109.7(2) . . ?
O4 Cl1 O3 109.3(2) . . ?
C17 N1 C13 118.4(3) . . ?
C17 N1 Ag1 116.8(2) . . ?
C13 N1 Ag1 124.8(2) . . ?
C34 N2 C30 118.0(3) . . ?
C34 N2 Ag2 119.0(2) . . ?
C30 N2 Ag2 122.9(2) . . ?
C35 N3 Ag1 172.2(3) . . ?
C37 N4 Ag2 172.4(3) . . ?
C39 N5 Ag2 157.0(4) . . ?
C2 C1 C6 118.7(3) . . ?
C2 C1 P1 118.3(2) . . ?
C6 C1 P1 122.9(3) . . ?
C1 C2 C3 121.1(3) . . ?
C1 C2 H2A 119.5 . . ?
C3 C2 H2A 119.5 . . ?
C4 C3 C2 119.9(3) . . ?
C4 C3 H3A 120.1 . . ?
C2 C3 H3A 120.1 . . ?
C3 C4 C5 119.3(4) . . ?
C3 C4 H4A 120.3 . . ?
C5 C4 H4A 120.3 . . ?
C4 C5 C6 121.3(4) . . ?
C4 C5 H5A 119.4 . . ?
C6 C5 H5A 119.4 . . ?
C1 C6 C5 119.7(4) . . ?
C1 C6 H6A 120.2 . . ?
C5 C6 H6A 120.2 . . ?
C8 C7 C12 119.3(3) . . ?
C8 C7 P1 122.5(3) . . ?
C12 C7 P1 118.2(2) . . ?
C9 C8 C7 120.1(4) . . ?
C9 C8 H8A 119.9 . . ?
C7 C8 H8A 119.9 . . ?
C8 C9 C10 120.2(4) . . ?
C8 C9 H9A 119.9 . . ?
C10 C9 H9A 119.9 . . ?
C11 C10 C9 119.9(3) . . ?
C11 C10 H10A 120.0 . . ?
C9 C10 H10A 120.0 . . ?
C12 C11 C10 120.2(3) . . ?
C12 C11 H11A 119.9 . . ?
C10 C11 H11A 119.9 . . ?
C11 C12 C7 120.3(3) . . ?
C11 C12 H12A 119.9 . . ?
C7 C12 H12A 119.9 . . ?
N1 C13 C14 121.9(3) . . ?
N1 C13 P1 115.1(2) . . ?
C14 C13 P1 123.0(3) . . ?
C13 C14 C15 119.2(3) . . ?
C13 C14 H14A 120.4 . . ?
C15 C14 H14A 120.4 . . ?
C16 C15 C14 119.1(3) . . ?
C16 C15 H15A 120.4 . . ?
C14 C15 H15A 120.4 . . ?
C15 C16 C17 118.6(3) . . ?
C15 C16 H16A 120.7 . . ?
C17 C16 H16A 120.7 . . ?
N1 C17 C16 122.8(3) . . ?
N1 C17 H17A 118.6 . . ?
C16 C17 H17A 118.6 . . ?
C19 C18 C23 119.4(3) . . ?
C19 C18 P2 122.7(3) . . ?
C23 C18 P2 117.9(3) . . ?
C18 C19 C20 120.3(4) . . ?
C18 C19 H19A 119.8 . . ?
C20 C19 H19A 119.8 . . ?
C21 C20 C19 119.8(4) . . ?
C21 C20 H20A 120.1 . . ?
C19 C20 H20A 120.1 . . ?
C20 C21 C22 120.6(4) . . ?
C20 C21 H21A 119.7 . . ?
C22 C21 H21A 119.7 . . ?
C21 C22 C23 119.6(4) . . ?
C21 C22 H22A 120.2 . . ?
C23 C22 H22A 120.2 . . ?
C22 C23 C18 120.2(3) . . ?
C22 C23 H23A 119.9 . . ?
C18 C23 H23A 119.9 . . ?
C29 C24 C25 119.6(3) . . ?
C29 C24 P2 122.6(3) . . ?
C25 C24 P2 117.7(2) . . ?
C26 C25 C24 120.2(3) . . ?
C26 C25 H25A 119.9 . . ?
C24 C25 H25A 119.9 . . ?
C25 C26 C27 120.1(3) . . ?
C25 C26 H26A 120.0 . . ?
C27 C26 H26A 120.0 . . ?
C26 C27 C28 120.0(3) . . ?
C26 C27 H27A 120.0 . . ?
C28 C27 H27A 120.0 . . ?
C29 C28 C27 120.2(3) . . ?
C29 C28 H28A 119.9 . . ?
C27 C28 H28A 119.9 . . ?
C28 C29 C24 119.9(3) . . ?
C28 C29 H29A 120.1 . . ?
C24 C29 H29A 120.1 . . ?
N2 C30 C31 122.2(3) . . ?
N2 C30 P2 114.3(2) . . ?
C31 C30 P2 123.5(3) . . ?
C32 C31 C30 118.6(4) . . ?
C32 C31 H31A 120.7 . . ?
C30 C31 H31A 120.7 . . ?
C33 C32 C31 119.4(4) . . ?
C33 C32 H32A 120.3 . . ?
C31 C32 H32A 120.3 . . ?
C32 C33 C34 118.8(4) . . ?
C32 C33 H33A 120.6 . . ?
C34 C33 H33A 120.6 . . ?
N2 C34 C33 123.0(4) . . ?
N2 C34 H34A 118.5 . . ?
C33 C34 H34A 118.5 . . ?
N3 C35 C36 179.4(4) . . ?
C35 C36 H36C 113(3) . . ?
C35 C36 H36B 107(3) . . ?
H36C C36 H36B 109.5(19) . . ?
C35 C36 H36A 106(3) . . ?
H36C C36 H36A 110.6(19) . . ?
H36B C36 H36A 110.9(19) . . ?
N4 C37 C38 179.6(5) . . ?
C37 C38 H38C 108(3) . . ?
C37 C38 H38B 110(3) . . ?
H38C C38 H38B 109.1(19) . . ?
C37 C38 H38A 110(3) . . ?
H38C C38 H38A 109.4(19) . . ?
H38B C38 H38A 110.1(19) . . ?
N5 C39 C40 179.0(7) . . ?
C39 C40 H40A 111.8(16) . . ?
C39 C40 H40B 110.7(16) . . ?
H40A C40 H40B 108.3(17) . . ?
C39 C40 H40C 109.5(14) . . ?
H40A C40 H40C 109.0(17) . . ?
H40B C40 H40C 107.4(17) . . ?
N6 C41 C42 179.6(5) . . ?
C41 C42 H42C 112(4) . . ?
C41 C42 H42B 108(3) . . ?
H42C C42 H42B 110(2) . . ?
C41 C42 H42A 107(4) . . ?
H42C C42 H42A 109(2) . . ?
H42B C42 H42A 110(2) . . ?
N7 C43 C44 179.4(5) . . ?
C43 C44 H44A 113(3) . . ?
C43 C44 H44B 105(4) . . ?
H44A C44 H44B 110(2) . . ?
C43 C44 H44C 108(4) . . ?
H44A C44 H44C 110(2) . . ?
H44B C44 H44C 111(2) . . ?
O6 Cl2 O7 113.8(5) . . ?
O6 Cl2 O5 115.0(7) . . ?
O7 Cl2 O5 98.2(4) . . ?
O6 Cl2 O8 107.9(4) . . ?
O7 Cl2 O8 116.8(3) . . ?
O5 Cl2 O8 104.7(4) . . ?
O8' Cl2' O7' 116.5(6) . . ?
O8' Cl2' O5' 111.8(5) . . ?
O7' Cl2' O5' 122.4(5) . . ?
O8' Cl2' O6' 115.3(6) . . ?
O7' Cl2' O6' 67.4(5) . . ?
O5' Cl2' O6' 64.9(4) . . ?
Cl2' O6' O5' 53.9(3) . . ?
Cl2' O6' O7' 52.1(3) . . ?
O5' O6' O7' 99.9(5) . . ?
Cl2' O7' O6' 60.5(4) . . ?
Cl2' O5' O6' 61.2(3) . . ?

_refine_diff_density_max         3.716
_refine_diff_density_min         -1.686
_refine_diff_density_rms         0.167

####################################################################### 
# 
# 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_Cu2
_database_code_depnum_ccdc_archive 'CCDC 1923231'
loop_
_audit_author_name
_audit_author_address
'Yue Wang'
;Chongqing University of Education
China
;
_audit_update_record             
;
2019-06-16 deposited with the CCDC.	2019-08-06 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         ?
_chemical_formula_sum            'C34 H28 Cl2 Cu2 N2 O8 P2'
_chemical_formula_weight         852.50

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   9.1529(5)
_cell_length_b                   18.4467(10)
_cell_length_c                   20.8604(13)
_cell_angle_alpha                90
_cell_angle_beta                 101.679(2)
_cell_angle_gamma                90
_cell_volume                     3449.2(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9869
_cell_measurement_theta_min      2.54
_cell_measurement_theta_max      27.10

_exptl_crystal_description       Bloc
_exptl_crystal_colour            'Light Yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.642
_exptl_crystal_F_000             1728
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.28
_exptl_absorpt_coefficient_mu    1.536
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.563
_exptl_absorpt_correction_T_max  0.650
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            59958
_diffrn_reflns_av_unetI/netI     0.0184
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.208
_diffrn_reflns_theta_max         27.145
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7641
_reflns_number_gt                6947
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0522P)²+4.3631P] 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         7641
_refine_ls_number_parameters     451
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0308
_refine_ls_R_factor_gt           0.0246
_refine_ls_wR_factor_ref         0.0916
_refine_ls_wR_factor_gt          0.0726
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.021
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.61869(3) 0.70855(2) 0.34800(2) 0.01365(7) Uani 1 1 d . . . . .
Cu2 Cu 0.25346(3) 0.71246(2) 0.31338(2) 0.01660(8) Uani 1 1 d . . . . .
P1 P 0.50365(5) 0.60184(3) 0.32301(2) 0.01231(11) Uani 1 1 d . . . . .
P2 P 0.51227(6) 0.81564(3) 0.36309(3) 0.01348(11) Uani 1 1 d . . . . .
Cl1 Cl 0.80959(6) 0.68972(3) 0.48655(2) 0.01859(11) Uani 1 1 d . . . . .
Cl2 Cl 0.86984(6) 0.69749(3) 0.25578(2) 0.01740(11) Uani 1 1 d . . . . .
O1 O 0.82666(17) 0.69295(9) 0.41830(7) 0.0200(3) Uani 1 1 d . . . . .
O2 O 0.67420(19) 0.65076(9) 0.48887(8) 0.0258(3) Uani 1 1 d . . . . .
O3 O 0.9359(2) 0.65256(13) 0.52380(9) 0.0410(5) Uani 1 1 d . . . . .
O4 O 0.8006(2) 0.76178(10) 0.51054(10) 0.0364(4) Uani 1 1 d . . . . .
O5 O 0.73771(17) 0.73386(9) 0.26980(8) 0.0211(3) Uani 1 1 d . . . . .
O6 O 0.8733(2) 0.62346(9) 0.27643(9) 0.0305(4) Uani 1 1 d . . . . .
O7 O 0.99945(18) 0.73574(10) 0.29245(9) 0.0290(4) Uani 1 1 d . . . . .
O8 O 0.8674(2) 0.70337(10) 0.18730(9) 0.0311(4) Uani 1 1 d . . . . .
N1 N 0.26451(19) 0.63445(9) 0.37447(9) 0.0160(3) Uani 1 1 d . . . . .
N2 N 0.2954(2) 0.78913(9) 0.25825(9) 0.0164(4) Uani 1 1 d . . . . .
C1 C 0.3822(2) 0.59997(11) 0.24174(10) 0.0158(4) Uani 1 1 d . . . . .
C2 C 0.2328(3) 0.57812(13) 0.22975(11) 0.0225(4) Uani 1 1 d . . . . .
H2B H 0.189905 0.561121 0.264776 0.027 Uiso 1 1 calc R U . . .
C3 C 0.1469(3) 0.58125(15) 0.16665(12) 0.0302(5) Uani 1 1 d . . . . .
H3B H 0.044983 0.567179 0.158727 0.036 Uiso 1 1 calc R U . . .
C4 C 0.2099(3) 0.60484(15) 0.11544(12) 0.0319(6) Uani 1 1 d . . . . .
H4B H 0.151133 0.606973 0.072378 0.038 Uiso 1 1 calc R U . . .
C5 C 0.3583(3) 0.62533(14) 0.12670(12) 0.0295(5) Uani 1 1 d . . . . .
H5A H 0.401574 0.640532 0.091216 0.035 Uiso 1 1 calc R U . . .
C6 C 0.4439(3) 0.62376(12) 0.18956(11) 0.0223(4) Uani 1 1 d . . . . .
H6B H 0.545118 0.638960 0.197162 0.027 Uiso 1 1 calc R U . . .
C7 C 0.6072(2) 0.51736(11) 0.32727(10) 0.0148(4) Uani 1 1 d . . . . .
C8 C 0.7504(2) 0.51432(11) 0.36647(10) 0.0169(4) Uani 1 1 d . . . . .
H8B H 0.794516 0.556685 0.388034 0.020 Uiso 1 1 calc R U . . .
C9 C 0.8281(3) 0.44904(12) 0.37379(11) 0.0217(4) Uani 1 1 d . . . . .
H9A H 0.924939 0.446846 0.400759 0.026 Uiso 1 1 calc R U . . .
C10 C 0.7650(3) 0.38715(12) 0.34197(13) 0.0255(5) Uani 1 1 d . . . . .
H10A H 0.818531 0.342704 0.347242 0.031 Uiso 1 1 calc R U . . .
C11 C 0.6236(3) 0.39016(12) 0.30241(13) 0.0271(5) Uani 1 1 d . . . . .
H11A H 0.580721 0.347848 0.280315 0.033 Uiso 1 1 calc R U . . .
C12 C 0.5445(2) 0.45511(12) 0.29507(12) 0.0215(4) Uani 1 1 d . . . . .
H12A H 0.447637 0.457009 0.268076 0.026 Uiso 1 1 calc R U . . .
C13 C 0.3734(2) 0.58401(11) 0.37748(10) 0.0139(4) Uani 1 1 d . . . . .
C14 C 0.3853(2) 0.52596(11) 0.42059(10) 0.0175(4) Uani 1 1 d . . . . .
H14A H 0.462420 0.491111 0.422254 0.021 Uiso 1 1 calc R U . . .
C15 C 0.2829(3) 0.51940(12) 0.46135(11) 0.0215(4) Uani 1 1 d . . . . .
H15A H 0.289917 0.480432 0.491596 0.026 Uiso 1 1 calc R U . . .
C16 C 0.1712(3) 0.57042(13) 0.45708(11) 0.0221(4) Uani 1 1 d . . . . .
H16A H 0.099277 0.566672 0.483998 0.027 Uiso 1 1 calc R U . . .
C17 C 0.1649(2) 0.62719(12) 0.41310(11) 0.0191(4) Uani 1 1 d . . . . .
H17A H 0.087524 0.662091 0.410249 0.023 Uiso 1 1 calc R U . . .
C18 C 0.3788(2) 0.81561(11) 0.41737(10) 0.0164(4) Uani 1 1 d . . . . .
C19 C 0.4252(3) 0.78384(13) 0.47893(12) 0.0263(5) Uani 1 1 d . . . . .
H19A H 0.524292 0.765999 0.491372 0.032 Uiso 1 1 calc R U . . .
C20 C 0.3288(3) 0.77796(15) 0.52218(13) 0.0322(6) Uani 1 1 d . . . . .
H20A H 0.362502 0.757277 0.564285 0.039 Uiso 1 1 calc R U . . .
C21 C 0.1835(3) 0.80232(14) 0.50374(13) 0.0288(5) Uani 1 1 d . . . . .
H21A H 0.116182 0.796931 0.532633 0.035 Uiso 1 1 calc R U . . .
C22 C 0.1365(3) 0.83420(16) 0.44384(13) 0.0327(6) Uani 1 1 d . . . . .
H22A H 0.036806 0.851212 0.431626 0.039 Uiso 1 1 calc R U . . .
C23 C 0.2332(3) 0.84201(14) 0.40054(12) 0.0255(5) Uani 1 1 d . . . . .
H23A H 0.200008 0.865323 0.359571 0.031 Uiso 1 1 calc R U . . .
C24 C 0.6289(2) 0.89515(11) 0.38572(10) 0.0171(4) Uani 1 1 d . . . . .
C25 C 0.5991(3) 0.94728(12) 0.42974(11) 0.0222(4) Uani 1 1 d . . . . .
H25A H 0.514674 0.942065 0.449370 0.027 Uiso 1 1 calc R U . . .
C26 C 0.6929(3) 1.00700(14) 0.44503(13) 0.0298(5) Uani 1 1 d . . . . .
H26A H 0.673633 1.041803 0.475853 0.036 Uiso 1 1 calc R U . . .
C27 C 0.8138(3) 1.01569(14) 0.41545(14) 0.0314(6) Uani 1 1 d . . . . .
H27A H 0.877004 1.056688 0.425650 0.038 Uiso 1 1 calc R U . . .
C28 C 0.8430(3) 0.96472(14) 0.37092(15) 0.0343(6) Uani 1 1 d . . . . .
H28A H 0.924826 0.971435 0.349892 0.041 Uiso 1 1 calc R U . . .
C29 C 0.7529(3) 0.90377(13) 0.35692(13) 0.0281(5) Uani 1 1 d . . . . .
H29A H 0.775638 0.867941 0.327725 0.034 Uiso 1 1 calc R U . . .
C30 C 0.4007(2) 0.83953(11) 0.28236(10) 0.0160(4) Uani 1 1 d . . . . .
C31 C 0.4278(2) 0.89851(12) 0.24544(12) 0.0226(5) Uani 1 1 d . . . . .
H31A H 0.499720 0.933995 0.263410 0.027 Uiso 1 1 calc R U . . .
C32 C 0.3478(3) 0.90479(14) 0.18166(12) 0.0269(5) Uani 1 1 d . . . . .
H32A H 0.365014 0.944713 0.155380 0.032 Uiso 1 1 calc R U . . .
C33 C 0.2430(3) 0.85282(14) 0.15642(11) 0.0255(5) Uani 1 1 d . . . . .
H33A H 0.188970 0.855917 0.112539 0.031 Uiso 1 1 calc R U . . .
C34 C 0.2185(3) 0.79615(12) 0.19652(11) 0.0212(4) Uani 1 1 d . . . . .
H34A H 0.144725 0.761019 0.179763 0.025 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
Cu1 O1 2.1742(15) . ?
Cu1 O5 2.1876(15) . ?
Cu1 P1 2.2435(6) . ?
Cu1 P2 2.2527(6) . ?
Cu2 N2 1.9103(18) . ?
Cu2 N1 1.9111(18) . ?
Cu2 O7 2.3172(16) 1_455 ?
P1 C7 1.817(2) . ?
P1 C1 1.829(2) . ?
P1 C13 1.835(2) . ?
P2 C24 1.819(2) . ?
P2 C18 1.826(2) . ?
P2 C30 1.838(2) . ?
Cl1 O4 1.4286(18) . ?
Cl1 O3 1.4307(17) . ?
Cl1 O2 1.4418(17) . ?
Cl1 O1 1.4645(16) . ?
Cl2 O8 1.4283(18) . ?
Cl2 O6 1.4303(16) . ?
Cl2 O7 1.4570(17) . ?
Cl2 O5 1.4634(16) . ?
N1 C17 1.340(3) . ?
N1 C13 1.356(3) . ?
N2 C34 1.343(3) . ?
N2 C30 1.360(3) . ?
C1 C6 1.395(3) . ?
C1 C2 1.399(3) . ?
C2 C3 1.391(3) . ?
C2 H2B 0.9500 . ?
C3 C4 1.383(4) . ?
C3 H3B 0.9500 . ?
C4 C5 1.383(4) . ?
C4 H4B 0.9500 . ?
C5 C6 1.385(3) . ?
C5 H5A 0.9500 . ?
C6 H6B 0.9500 . ?
C7 C12 1.394(3) . ?
C7 C8 1.398(3) . ?
C8 C9 1.391(3) . ?
C8 H8B 0.9500 . ?
C9 C10 1.386(3) . ?
C9 H9A 0.9500 . ?
C10 C11 1.388(4) . ?
C10 H10A 0.9500 . ?
C11 C12 1.392(3) . ?
C11 H11A 0.9500 . ?
C12 H12A 0.9500 . ?
C13 C14 1.388(3) . ?
C14 C15 1.392(3) . ?
C14 H14A 0.9500 . ?
C15 C16 1.380(3) . ?
C15 H15A 0.9500 . ?
C16 C17 1.386(3) . ?
C16 H16A 0.9500 . ?
C17 H17A 0.9500 . ?
C18 C23 1.395(3) . ?
C18 C19 1.397(3) . ?
C19 C20 1.388(3) . ?
C19 H19A 0.9500 . ?
C20 C21 1.383(4) . ?
C20 H20A 0.9500 . ?
C21 C22 1.369(4) . ?
C21 H21A 0.9500 . ?
C22 C23 1.394(3) . ?
C22 H22A 0.9500 . ?
C23 H23A 0.9500 . ?
C24 C25 1.394(3) . ?
C24 C29 1.396(3) . ?
C25 C26 1.393(3) . ?
C25 H25A 0.9500 . ?
C26 C27 1.381(4) . ?
C26 H26A 0.9500 . ?
C27 C28 1.385(4) . ?
C27 H27A 0.9500 . ?
C28 C29 1.390(3) . ?
C28 H28A 0.9500 . ?
C29 H29A 0.9500 . ?
C30 C31 1.384(3) . ?
C31 C32 1.388(3) . ?
C31 H31A 0.9500 . ?
C32 C33 1.383(4) . ?
C32 H32A 0.9500 . ?
C33 C34 1.385(3) . ?
C33 H33A 0.9500 . ?
C34 H34A 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
O1 Cu1 O5 91.78(6) . . ?
O1 Cu1 P1 110.26(5) . . ?
O5 Cu1 P1 107.16(5) . . ?
O1 Cu1 P2 111.47(5) . . ?
O5 Cu1 P2 102.22(4) . . ?
P1 Cu1 P2 127.31(2) . . ?
N2 Cu2 N1 165.69(8) . . ?
N2 Cu2 O7 93.76(7) . 1_455 ?
N1 Cu2 O7 100.42(7) . 1_455 ?
C7 P1 C1 104.03(9) . . ?
C7 P1 C13 102.35(9) . . ?
C1 P1 C13 102.80(9) . . ?
C7 P1 Cu1 121.70(7) . . ?
C1 P1 Cu1 113.60(7) . . ?
C13 P1 Cu1 110.27(7) . . ?
C24 P2 C18 105.69(10) . . ?
C24 P2 C30 103.44(10) . . ?
C18 P2 C30 104.53(10) . . ?
C24 P2 Cu1 119.72(7) . . ?
C18 P2 Cu1 116.67(7) . . ?
C30 P2 Cu1 104.95(7) . . ?
O4 Cl1 O3 110.68(13) . . ?
O4 Cl1 O2 109.94(11) . . ?
O3 Cl1 O2 110.40(12) . . ?
O4 Cl1 O1 109.13(11) . . ?
O3 Cl1 O1 108.29(10) . . ?
O2 Cl1 O1 108.33(10) . . ?
O8 Cl2 O6 111.64(11) . . ?
O8 Cl2 O7 109.55(11) . . ?
O6 Cl2 O7 109.78(11) . . ?
O8 Cl2 O5 108.58(10) . . ?
O6 Cl2 O5 110.26(10) . . ?
O7 Cl2 O5 106.92(10) . . ?
Cl1 O1 Cu1 114.20(9) . . ?
Cl2 O5 Cu1 127.41(9) . . ?
Cl2 O7 Cu2 133.50(11) . 1_655 ?
C17 N1 C13 119.14(18) . . ?
C17 N1 Cu2 121.71(15) . . ?
C13 N1 Cu2 119.13(14) . . ?
C34 N2 C30 118.90(19) . . ?
C34 N2 Cu2 121.24(15) . . ?
C30 N2 Cu2 119.80(14) . . ?
C6 C1 C2 119.1(2) . . ?
C6 C1 P1 116.83(16) . . ?
C2 C1 P1 124.03(17) . . ?
C3 C2 C1 120.1(2) . . ?
C3 C2 H2B 119.9 . . ?
C1 C2 H2B 119.9 . . ?
C4 C3 C2 120.0(2) . . ?
C4 C3 H3B 120.0 . . ?
C2 C3 H3B 120.0 . . ?
C3 C4 C5 120.2(2) . . ?
C3 C4 H4B 119.9 . . ?
C5 C4 H4B 119.9 . . ?
C4 C5 C6 120.2(2) . . ?
C4 C5 H5A 119.9 . . ?
C6 C5 H5A 119.9 . . ?
C5 C6 C1 120.3(2) . . ?
C5 C6 H6B 119.8 . . ?
C1 C6 H6B 119.8 . . ?
C12 C7 C8 119.64(19) . . ?
C12 C7 P1 121.53(16) . . ?
C8 C7 P1 118.76(15) . . ?
C9 C8 C7 119.8(2) . . ?
C9 C8 H8B 120.1 . . ?
C7 C8 H8B 120.1 . . ?
C10 C9 C8 120.4(2) . . ?
C10 C9 H9A 119.8 . . ?
C8 C9 H9A 119.8 . . ?
C9 C10 C11 120.0(2) . . ?
C9 C10 H10A 120.0 . . ?
C11 C10 H10A 120.0 . . ?
C10 C11 C12 120.1(2) . . ?
C10 C11 H11A 120.0 . . ?
C12 C11 H11A 120.0 . . ?
C11 C12 C7 120.1(2) . . ?
C11 C12 H12A 119.9 . . ?
C7 C12 H12A 119.9 . . ?
N1 C13 C14 121.31(19) . . ?
N1 C13 P1 114.33(15) . . ?
C14 C13 P1 124.32(16) . . ?
C13 C14 C15 119.2(2) . . ?
C13 C14 H14A 120.4 . . ?
C15 C14 H14A 120.4 . . ?
C16 C15 C14 118.9(2) . . ?
C16 C15 H15A 120.5 . . ?
C14 C15 H15A 120.5 . . ?
C15 C16 C17 119.3(2) . . ?
C15 C16 H16A 120.4 . . ?
C17 C16 H16A 120.4 . . ?
N1 C17 C16 122.1(2) . . ?
N1 C17 H17A 118.9 . . ?
C16 C17 H17A 118.9 . . ?
C23 C18 C19 118.4(2) . . ?
C23 C18 P2 124.65(17) . . ?
C19 C18 P2 116.91(16) . . ?
C20 C19 C18 121.0(2) . . ?
C20 C19 H19A 119.5 . . ?
C18 C19 H19A 119.5 . . ?
C21 C20 C19 119.7(2) . . ?
C21 C20 H20A 120.1 . . ?
C19 C20 H20A 120.1 . . ?
C22 C21 C20 120.0(2) . . ?
C22 C21 H21A 120.0 . . ?
C20 C21 H21A 120.0 . . ?
C21 C22 C23 120.8(2) . . ?
C21 C22 H22A 119.6 . . ?
C23 C22 H22A 119.6 . . ?
C22 C23 C18 120.0(2) . . ?
C22 C23 H23A 120.0 . . ?
C18 C23 H23A 120.0 . . ?
C25 C24 C29 119.3(2) . . ?
C25 C24 P2 122.99(17) . . ?
C29 C24 P2 117.73(17) . . ?
C26 C25 C24 120.2(2) . . ?
C26 C25 H25A 119.9 . . ?
C24 C25 H25A 119.9 . . ?
C27 C26 C25 120.1(2) . . ?
C27 C26 H26A 119.9 . . ?
C25 C26 H26A 119.9 . . ?
C26 C27 C28 120.1(2) . . ?
C26 C27 H27A 119.9 . . ?
C28 C27 H27A 119.9 . . ?
C27 C28 C29 120.2(2) . . ?
C27 C28 H28A 119.9 . . ?
C29 C28 H28A 119.9 . . ?
C28 C29 C24 120.1(2) . . ?
C28 C29 H29A 120.0 . . ?
C24 C29 H29A 120.0 . . ?
N2 C30 C31 121.7(2) . . ?
N2 C30 P2 113.31(15) . . ?
C31 C30 P2 124.73(17) . . ?
C30 C31 C32 118.7(2) . . ?
C30 C31 H31A 120.7 . . ?
C32 C31 H31A 120.7 . . ?
C33 C32 C31 119.9(2) . . ?
C33 C32 H32A 120.1 . . ?
C31 C32 H32A 120.1 . . ?
C32 C33 C34 118.6(2) . . ?
C32 C33 H33A 120.7 . . ?
C34 C33 H33A 120.7 . . ?
N2 C34 C33 122.3(2) . . ?
N2 C34 H34A 118.9 . . ?
C33 C34 H34A 118.9 . . ?

_refine_diff_density_max         0.685
_refine_diff_density_min         -0.854
_refine_diff_density_rms         0.218

####################################################################### 
# 
# 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_Ag2
_database_code_depnum_ccdc_archive 'CCDC 1923230'
loop_
_audit_author_name
_audit_author_address
'Yue Wang'
;Chongqing University of Education
China
;
_audit_update_record             
;
2019-06-16 deposited with the CCDC.	2019-08-06 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         ?
_chemical_formula_sum            'C36 H32 Ag2 Cl6 N2 O8 P2'
_chemical_formula_weight         1111.01

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   9.2146(4)
_cell_length_b                   22.3264(11)
_cell_length_c                   20.6049(10)
_cell_angle_alpha                90
_cell_angle_beta                 102.501(2)
_cell_angle_gamma                90
_cell_volume                     4138.5(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9952
_cell_measurement_theta_min      2.44
_cell_measurement_theta_max      27.48

_exptl_crystal_description       Needle
_exptl_crystal_colour            white
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.783
_exptl_crystal_F_000             2208
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    1.463
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.782
_exptl_absorpt_correction_T_max  0.864
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            55986
_diffrn_reflns_av_unetI/netI     0.0476
_diffrn_reflns_av_R_equivalents  0.0730
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.221
_diffrn_reflns_theta_max         27.515
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             9474
_reflns_number_gt                7735
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)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         9474
_refine_ls_number_parameters     505
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_gt           0.0421
_refine_ls_wR_factor_ref         0.1417
_refine_ls_wR_factor_gt          0.1251
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_restrained_S_all      0.992
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.59675(3) 0.66863(2) 0.64141(2) 0.01921(10) Uani 1 1 d . . . . .
Ag2 Ag 0.29376(3) 0.65130(2) 0.67340(2) 0.01615(10) Uani 1 1 d . . . . .
Cl1 Cl 0.20964(11) 0.51282(4) 0.71964(5) 0.0193(2) Uani 1 1 d . . . . .
Cl2 Cl -0.06180(10) 0.73725(5) 0.65241(5) 0.0201(2) Uani 1 1 d . . . . .
Cl3 Cl 0.74661(19) 0.52334(10) 0.61050(10) 0.0736(6) Uani 1 1 d . . . . .
Cl4 Cl 0.42426(16) 0.52459(6) 0.56931(7) 0.0445(3) Uani 1 1 d . . . . .
Cl5 Cl 0.67225(17) 0.44928(11) 0.81243(8) 0.0715(6) Uani 1 1 d . . . . .
Cl6 Cl 0.55324(18) 0.48047(6) 0.92705(7) 0.0458(3) Uani 1 1 d . . . . .
P1 P 0.43714(11) 0.70154(5) 0.54170(5) 0.0152(2) Uani 1 1 d . . . . .
P2 P 0.45535(10) 0.68073(4) 0.77378(5) 0.0134(2) Uani 1 1 d . . . . .
O1 O 0.1260(3) 0.56723(13) 0.70003(16) 0.0245(7) Uani 1 1 d . . . . .
O2 O 0.1644(4) 0.46720(15) 0.67045(17) 0.0343(8) Uani 1 1 d . . . . .
O3 O 0.3665(3) 0.52555(15) 0.72717(17) 0.0296(7) Uani 1 1 d . . . . .
O4 O 0.1823(4) 0.49372(13) 0.78308(15) 0.0248(7) Uani 1 1 d . . . . .
O5 O -0.1405(4) 0.69270(17) 0.60709(18) 0.0377(8) Uani 1 1 d . . . . .
O6 O 0.0534(3) 0.70816(15) 0.70079(16) 0.0266(7) Uani 1 1 d . . . . .
O7 O -0.1653(4) 0.7648(2) 0.68632(18) 0.0461(10) Uani 1 1 d . . . . .
O8 O 0.0031(4) 0.78092(18) 0.61691(18) 0.0436(10) Uani 1 1 d . . . . .
N1 N 0.1978(4) 0.64033(15) 0.56651(16) 0.0160(7) Uani 1 1 d . . . . .
N2 N 0.7027(4) 0.63576(15) 0.74109(16) 0.0153(7) Uani 1 1 d . . . . .
C1 C 0.5097(4) 0.69810(19) 0.4663(2) 0.0170(8) Uani 1 1 d . . . . .
C2 C 0.5873(5) 0.6469(2) 0.4546(2) 0.0233(9) Uani 1 1 d . . . . .
H5 H 0.610376 0.616812 0.487868 0.028 Uiso 1 1 calc R U . . .
C3 C 0.6310(5) 0.6397(2) 0.3948(2) 0.0276(10) Uani 1 1 d . . . . .
H4 H 0.682487 0.604525 0.386720 0.033 Uiso 1 1 calc R U . . .
C4 C 0.5989(5) 0.6845(2) 0.3464(2) 0.0259(9) Uani 1 1 d . . . . .
H3 H 0.627019 0.679300 0.305075 0.031 Uiso 1 1 calc R U . . .
C5 C 0.5268(5) 0.7361(2) 0.3583(2) 0.0239(9) Uani 1 1 d . . . . .
H1 H 0.507564 0.766847 0.325722 0.029 Uiso 1 1 calc R U . . .
C6 C 0.4824(4) 0.74286(19) 0.4180(2) 0.0189(8) Uani 1 1 d . . . . .
H2 H 0.432643 0.778465 0.426060 0.023 Uiso 1 1 calc R U . . .
C7 C 0.2587(4) 0.66094(18) 0.5169(2) 0.0170(8) Uani 1 1 d . . . . .
C8 C 0.1957(5) 0.65000(19) 0.4508(2) 0.0214(9) Uani 1 1 d . . . . .
H23 H 0.240564 0.665706 0.417075 0.026 Uiso 1 1 calc R U . . .
C9 C 0.0665(5) 0.6160(2) 0.4337(2) 0.0249(9) Uani 1 1 d . . . . .
H6 H 0.022837 0.607529 0.388471 0.030 Uiso 1 1 calc R U . . .
C10 C 0.0035(5) 0.5949(2) 0.4845(2) 0.0243(9) Uani 1 1 d . . . . .
H7 H -0.085000 0.571681 0.474722 0.029 Uiso 1 1 calc R U . . .
C11 C 0.0714(5) 0.6081(2) 0.5501(2) 0.0214(9) Uani 1 1 d . . . . .
H8 H 0.027001 0.593791 0.584603 0.026 Uiso 1 1 calc R U . . .
C12 C 0.3920(4) 0.67617(18) 0.85132(19) 0.0148(8) Uani 1 1 d . . . . .
C13 C 0.3326(5) 0.6222(2) 0.8681(2) 0.0232(9) Uani 1 1 d . . . . .
H9 H 0.322923 0.589312 0.838195 0.028 Uiso 1 1 calc R U . . .
C14 C 0.2883(5) 0.6162(2) 0.9269(2) 0.0271(10) Uani 1 1 d . . . . .
H13 H 0.248445 0.579217 0.937828 0.033 Uiso 1 1 calc R U . . .
C15 C 0.3017(5) 0.6643(2) 0.9709(2) 0.0246(9) Uani 1 1 d . . . . .
H10 H 0.271498 0.660026 1.011933 0.029 Uiso 1 1 calc R U . . .
C16 C 0.3584(5) 0.7180(2) 0.9550(2) 0.0219(9) Uani 1 1 d . . . . .
H11 H 0.366574 0.750840 0.984938 0.026 Uiso 1 1 calc R U . . .
C17 C 0.4036(4) 0.72428(19) 0.8955(2) 0.0180(8) Uani 1 1 d . . . . .
H12 H 0.442679 0.761447 0.884614 0.022 Uiso 1 1 calc R U . . .
C18 C 0.6381(4) 0.64342(17) 0.7935(2) 0.0152(8) Uani 1 1 d . . . . .
C19 C 0.7067(5) 0.6253(2) 0.8568(2) 0.0214(9) Uani 1 1 d . . . . .
H14 H 0.659182 0.631088 0.892944 0.026 Uiso 1 1 calc R U . . .
C20 C 0.8456(5) 0.5987(2) 0.8671(2) 0.0254(9) Uani 1 1 d . . . . .
H15 H 0.894054 0.585443 0.910105 0.031 Uiso 1 1 calc R U . . .
C21 C 0.9129(5) 0.5917(2) 0.8135(2) 0.0236(9) Uani 1 1 d . . . . .
H16 H 1.008380 0.573873 0.819254 0.028 Uiso 1 1 calc R U . . .
C22 C 0.8389(4) 0.61114(18) 0.7518(2) 0.0194(8) Uani 1 1 d . . . . .
H17 H 0.886031 0.606983 0.715374 0.023 Uiso 1 1 calc R U . . .
C23 C 0.4995(4) 0.75888(18) 0.76535(19) 0.0154(8) Uani 1 1 d . . . . .
C24 C 0.3810(4) 0.79641(18) 0.7361(2) 0.0196(8) Uani 1 1 d . . . . .
H22 H 0.284419 0.780158 0.720635 0.024 Uiso 1 1 calc R U . . .
C25 C 0.4054(5) 0.85756(19) 0.7297(2) 0.0228(9) Uani 1 1 d . . . . .
H18 H 0.325119 0.883127 0.710490 0.027 Uiso 1 1 calc R U . . .
C26 C 0.5468(5) 0.88098(19) 0.7513(2) 0.0211(9) Uani 1 1 d . . . . .
H21 H 0.562651 0.922789 0.747708 0.025 Uiso 1 1 calc R U . . .
C27 C 0.6654(5) 0.84403(19) 0.7780(2) 0.0208(9) Uani 1 1 d . . . . .
H19 H 0.762781 0.860195 0.790967 0.025 Uiso 1 1 calc R U . . .
C28 C 0.6417(4) 0.78317(19) 0.7859(2) 0.0185(8) Uani 1 1 d . . . . .
H20 H 0.722609 0.758035 0.805456 0.022 Uiso 1 1 calc R U . . .
C29 C 0.3875(4) 0.77971(18) 0.54869(19) 0.0172(8) Uani 1 1 d . . . . .
C30 C 0.2423(5) 0.8004(2) 0.5289(2) 0.0206(8) Uani 1 1 d . . . . .
H24 H 0.163835 0.773270 0.512099 0.025 Uiso 1 1 calc R U . . .
C31 C 0.2124(5) 0.8618(2) 0.5337(2) 0.0260(10) Uani 1 1 d . . . . .
H25 H 0.113075 0.876056 0.521492 0.031 Uiso 1 1 calc R U . . .
C32 C 0.3281(5) 0.9014(2) 0.5564(2) 0.0290(10) Uani 1 1 d . . . . .
H28 H 0.308340 0.942991 0.558393 0.035 Uiso 1 1 calc R U . . .
C33 C 0.4732(5) 0.8804(2) 0.5762(2) 0.0285(10) Uani 1 1 d . . . . .
H26 H 0.552351 0.907614 0.591607 0.034 Uiso 1 1 calc R U . . .
C34 C 0.5017(5) 0.8194(2) 0.5734(2) 0.0243(9) Uani 1 1 d . . . . .
H27 H 0.600165 0.804873 0.588505 0.029 Uiso 1 1 calc R U . . .
C35 C 0.5801(6) 0.4953(3) 0.6245(4) 0.0533(16) Uani 1 1 d . . . . .
H29 H 0.572949 0.504945 0.670623 0.064 Uiso 1 1 calc R U . . .
H30 H 0.579985 0.451183 0.620059 0.064 Uiso 1 1 calc R U . . .
C36 C 0.5262(6) 0.4369(2) 0.8541(3) 0.0376(12) Uani 1 1 d . . . . .
H31 H 0.430164 0.447662 0.824405 0.045 Uiso 1 1 calc R U . . .
H32 H 0.522692 0.393983 0.865591 0.045 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.200(3) . ?
Ag1 P1 2.3699(10) . ?
Ag1 Ag2 3.0291(4) . ?
Ag2 N1 2.202(3) . ?
Ag2 P2 2.3652(10) . ?
Ag2 O1 2.566(3) . ?
Cl1 O2 1.434(3) . ?
Cl1 O4 1.448(3) . ?
Cl1 O3 1.448(3) . ?
Cl1 O1 1.448(3) . ?
Cl2 O8 1.426(3) . ?
Cl2 O7 1.437(3) . ?
Cl2 O6 1.443(3) . ?
Cl2 O5 1.447(4) . ?
Cl3 C35 1.738(6) . ?
Cl4 C35 1.754(6) . ?
Cl5 C36 1.767(6) . ?
Cl6 C36 1.763(5) . ?
P1 C29 1.818(4) . ?
P1 C1 1.820(4) . ?
P1 C7 1.850(4) . ?
P2 C23 1.809(4) . ?
P2 C12 1.819(4) . ?
P2 C18 1.843(4) . ?
N1 C11 1.349(5) . ?
N1 C7 1.349(5) . ?
N2 C22 1.344(5) . ?
N2 C18 1.353(5) . ?
C1 C6 1.395(6) . ?
C1 C2 1.397(6) . ?
C2 C3 1.387(6) . ?
C2 H5 0.9500 . ?
C3 C4 1.397(7) . ?
C3 H4 0.9500 . ?
C4 C5 1.378(7) . ?
C4 H3 0.9500 . ?
C5 C6 1.386(6) . ?
C5 H1 0.9500 . ?
C6 H2 0.9500 . ?
C7 C8 1.381(6) . ?
C8 C9 1.391(6) . ?
C8 H23 0.9500 . ?
C9 C10 1.386(6) . ?
C9 H6 0.9500 . ?
C10 C11 1.392(6) . ?
C10 H7 0.9500 . ?
C11 H8 0.9500 . ?
C12 C17 1.397(6) . ?
C12 C13 1.397(6) . ?
C13 C14 1.368(6) . ?
C13 H9 0.9500 . ?
C14 C15 1.394(7) . ?
C14 H13 0.9500 . ?
C15 C16 1.375(6) . ?
C15 H10 0.9500 . ?
C16 C17 1.387(6) . ?
C16 H11 0.9500 . ?
C17 H12 0.9500 . ?
C18 C19 1.381(6) . ?
C19 C20 1.386(6) . ?
C19 H14 0.9500 . ?
C20 C21 1.387(6) . ?
C20 H15 0.9500 . ?
C21 C22 1.375(6) . ?
C21 H16 0.9500 . ?
C22 H17 0.9500 . ?
C23 C28 1.396(5) . ?
C23 C24 1.405(5) . ?
C24 C25 1.394(6) . ?
C24 H22 0.9500 . ?
C25 C26 1.385(6) . ?
C25 H18 0.9500 . ?
C26 C27 1.385(6) . ?
C26 H21 0.9500 . ?
C27 C28 1.391(6) . ?
C27 H19 0.9500 . ?
C28 H20 0.9500 . ?
C29 C34 1.386(6) . ?
C29 C30 1.391(6) . ?
C30 C31 1.404(6) . ?
C30 H24 0.9500 . ?
C31 C32 1.386(7) . ?
C31 H25 0.9500 . ?
C32 C33 1.391(7) . ?
C32 H28 0.9500 . ?
C33 C34 1.390(7) . ?
C33 H26 0.9500 . ?
C34 H27 0.9500 . ?
C35 H29 0.9900 . ?
C35 H30 0.9900 . ?
C36 H31 0.9900 . ?
C36 H32 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 P1 168.33(9) . . ?
N2 Ag1 Ag2 89.88(8) . . ?
P1 Ag1 Ag2 78.46(3) . . ?
N1 Ag2 P2 161.09(9) . . ?
N1 Ag2 O1 90.14(11) . . ?
P2 Ag2 O1 108.10(8) . . ?
N1 Ag2 Ag1 89.19(9) . . ?
P2 Ag2 Ag1 73.70(2) . . ?
O1 Ag2 Ag1 140.04(7) . . ?
O2 Cl1 O4 110.4(2) . . ?
O2 Cl1 O3 110.2(2) . . ?
O4 Cl1 O3 109.0(2) . . ?
O2 Cl1 O1 110.0(2) . . ?
O4 Cl1 O1 108.23(18) . . ?
O3 Cl1 O1 108.90(19) . . ?
O8 Cl2 O7 110.7(3) . . ?
O8 Cl2 O6 109.5(2) . . ?
O7 Cl2 O6 108.9(2) . . ?
O8 Cl2 O5 110.3(2) . . ?
O7 Cl2 O5 108.4(2) . . ?
O6 Cl2 O5 109.1(2) . . ?
C29 P1 C1 104.67(18) . . ?
C29 P1 C7 105.57(18) . . ?
C1 P1 C7 102.26(18) . . ?
C29 P1 Ag1 110.40(14) . . ?
C1 P1 Ag1 116.93(13) . . ?
C7 P1 Ag1 115.80(14) . . ?
C23 P2 C12 105.08(18) . . ?
C23 P2 C18 104.09(18) . . ?
C12 P2 C18 103.41(18) . . ?
C23 P2 Ag2 107.23(13) . . ?
C12 P2 Ag2 119.46(13) . . ?
C18 P2 Ag2 116.08(13) . . ?
Cl1 O1 Ag2 111.36(16) . . ?
C11 N1 C7 118.0(4) . . ?
C11 N1 Ag2 116.7(3) . . ?
C7 N1 Ag2 125.3(3) . . ?
C22 N2 C18 118.5(3) . . ?
C22 N2 Ag1 120.0(3) . . ?
C18 N2 Ag1 121.4(3) . . ?
C6 C1 C2 118.8(4) . . ?
C6 C1 P1 122.4(3) . . ?
C2 C1 P1 118.6(3) . . ?
C3 C2 C1 120.5(4) . . ?
C3 C2 H5 119.8 . . ?
C1 C2 H5 119.8 . . ?
C2 C3 C4 119.6(4) . . ?
C2 C3 H4 120.2 . . ?
C4 C3 H4 120.2 . . ?
C5 C4 C3 120.5(4) . . ?
C5 C4 H3 119.7 . . ?
C3 C4 H3 119.7 . . ?
C4 C5 C6 119.7(4) . . ?
C4 C5 H1 120.2 . . ?
C6 C5 H1 120.2 . . ?
C5 C6 C1 120.9(4) . . ?
C5 C6 H2 119.6 . . ?
C1 C6 H2 119.6 . . ?
N1 C7 C8 122.1(4) . . ?
N1 C7 P1 116.6(3) . . ?
C8 C7 P1 121.2(3) . . ?
C7 C8 C9 120.1(4) . . ?
C7 C8 H23 120.0 . . ?
C9 C8 H23 120.0 . . ?
C10 C9 C8 118.0(4) . . ?
C10 C9 H6 121.0 . . ?
C8 C9 H6 121.0 . . ?
C9 C10 C11 119.2(4) . . ?
C9 C10 H7 120.4 . . ?
C11 C10 H7 120.4 . . ?
N1 C11 C10 122.7(4) . . ?
N1 C11 H8 118.7 . . ?
C10 C11 H8 118.7 . . ?
C17 C12 C13 118.8(4) . . ?
C17 C12 P2 122.3(3) . . ?
C13 C12 P2 118.9(3) . . ?
C14 C13 C12 120.8(4) . . ?
C14 C13 H9 119.6 . . ?
C12 C13 H9 119.6 . . ?
C13 C14 C15 120.0(4) . . ?
C13 C14 H13 120.0 . . ?
C15 C14 H13 120.0 . . ?
C16 C15 C14 120.1(4) . . ?
C16 C15 H10 119.9 . . ?
C14 C15 H10 119.9 . . ?
C15 C16 C17 120.1(4) . . ?
C15 C16 H11 120.0 . . ?
C17 C16 H11 120.0 . . ?
C16 C17 C12 120.2(4) . . ?
C16 C17 H12 119.9 . . ?
C12 C17 H12 119.9 . . ?
N2 C18 C19 121.8(4) . . ?
N2 C18 P2 114.8(3) . . ?
C19 C18 P2 123.4(3) . . ?
C18 C19 C20 119.2(4) . . ?
C18 C19 H14 120.4 . . ?
C20 C19 H14 120.4 . . ?
C19 C20 C21 119.0(4) . . ?
C19 C20 H15 120.5 . . ?
C21 C20 H15 120.5 . . ?
C22 C21 C20 118.9(4) . . ?
C22 C21 H16 120.6 . . ?
C20 C21 H16 120.6 . . ?
N2 C22 C21 122.6(4) . . ?
N2 C22 H17 118.7 . . ?
C21 C22 H17 118.7 . . ?
C28 C23 C24 119.3(4) . . ?
C28 C23 P2 124.2(3) . . ?
C24 C23 P2 116.5(3) . . ?
C25 C24 C23 119.9(4) . . ?
C25 C24 H22 120.1 . . ?
C23 C24 H22 120.1 . . ?
C26 C25 C24 119.9(4) . . ?
C26 C25 H18 120.0 . . ?
C24 C25 H18 120.0 . . ?
C27 C26 C25 120.6(4) . . ?
C27 C26 H21 119.7 . . ?
C25 C26 H21 119.7 . . ?
C26 C27 C28 119.9(4) . . ?
C26 C27 H19 120.1 . . ?
C28 C27 H19 120.1 . . ?
C27 C28 C23 120.3(4) . . ?
C27 C28 H20 119.9 . . ?
C23 C28 H20 119.9 . . ?
C34 C29 C30 120.1(4) . . ?
C34 C29 P1 117.3(3) . . ?
C30 C29 P1 122.6(3) . . ?
C29 C30 C31 119.7(4) . . ?
C29 C30 H24 120.2 . . ?
C31 C30 H24 120.2 . . ?
C32 C31 C30 119.8(4) . . ?
C32 C31 H25 120.1 . . ?
C30 C31 H25 120.1 . . ?
C31 C32 C33 120.3(4) . . ?
C31 C32 H28 119.9 . . ?
C33 C32 H28 119.9 . . ?
C34 C33 C32 119.7(4) . . ?
C34 C33 H26 120.1 . . ?
C32 C33 H26 120.1 . . ?
C29 C34 C33 120.4(4) . . ?
C29 C34 H27 119.8 . . ?
C33 C34 H27 119.8 . . ?
Cl3 C35 Cl4 112.7(4) . . ?
Cl3 C35 H29 109.0 . . ?
Cl4 C35 H29 109.0 . . ?
Cl3 C35 H30 109.0 . . ?
Cl4 C35 H30 109.0 . . ?
H29 C35 H30 107.8 . . ?
Cl6 C36 Cl5 110.3(3) . . ?
Cl6 C36 H31 109.6 . . ?
Cl5 C36 H31 109.6 . . ?
Cl6 C36 H32 109.6 . . ?
Cl5 C36 H32 109.6 . . ?
H31 C36 H32 108.1 . . ?

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
O2 Cl1 O1 Ag2 -112.87(19) . . . . ?
O4 Cl1 O1 Ag2 126.43(17) . . . . ?
O3 Cl1 O1 Ag2 8.1(2) . . . . ?
C29 P1 C1 C6 -18.0(4) . . . . ?
C7 P1 C1 C6 91.9(4) . . . . ?
Ag1 P1 C1 C6 -140.5(3) . . . . ?
C29 P1 C1 C2 166.2(3) . . . . ?
C7 P1 C1 C2 -83.8(4) . . . . ?
Ag1 P1 C1 C2 43.8(4) . . . . ?
C6 C1 C2 C3 -2.6(6) . . . . ?
P1 C1 C2 C3 173.3(3) . . . . ?
C1 C2 C3 C4 1.0(7) . . . . ?
C2 C3 C4 C5 1.2(7) . . . . ?
C3 C4 C5 C6 -1.7(7) . . . . ?
C4 C5 C6 C1 0.0(6) . . . . ?
C2 C1 C6 C5 2.1(6) . . . . ?
P1 C1 C6 C5 -173.6(3) . . . . ?
C11 N1 C7 C8 0.0(6) . . . . ?
Ag2 N1 C7 C8 176.9(3) . . . . ?
C11 N1 C7 P1 -176.9(3) . . . . ?
Ag2 N1 C7 P1 0.0(4) . . . . ?
C29 P1 C7 N1 -89.6(3) . . . . ?
C1 P1 C7 N1 161.1(3) . . . . ?
Ag1 P1 C7 N1 32.8(3) . . . . ?
C29 P1 C7 C8 93.4(4) . . . . ?
C1 P1 C7 C8 -15.8(4) . . . . ?
Ag1 P1 C7 C8 -144.1(3) . . . . ?
N1 C7 C8 C9 -1.0(6) . . . . ?
P1 C7 C8 C9 175.8(3) . . . . ?
C7 C8 C9 C10 1.1(7) . . . . ?
C8 C9 C10 C11 -0.3(7) . . . . ?
C7 N1 C11 C10 0.8(6) . . . . ?
Ag2 N1 C11 C10 -176.4(3) . . . . ?
C9 C10 C11 N1 -0.6(7) . . . . ?
C23 P2 C12 C17 -8.9(4) . . . . ?
C18 P2 C12 C17 100.0(3) . . . . ?
Ag2 P2 C12 C17 -129.2(3) . . . . ?
C23 P2 C12 C13 172.5(3) . . . . ?
C18 P2 C12 C13 -78.6(3) . . . . ?
Ag2 P2 C12 C13 52.2(4) . . . . ?
C17 C12 C13 C14 -0.8(6) . . . . ?
P2 C12 C13 C14 177.8(3) . . . . ?
C12 C13 C14 C15 0.2(7) . . . . ?
C13 C14 C15 C16 0.4(7) . . . . ?
C14 C15 C16 C17 -0.5(6) . . . . ?
C15 C16 C17 C12 -0.1(6) . . . . ?
C13 C12 C17 C16 0.7(6) . . . . ?
P2 C12 C17 C16 -177.8(3) . . . . ?
C22 N2 C18 C19 -1.6(6) . . . . ?
Ag1 N2 C18 C19 -177.1(3) . . . . ?
C22 N2 C18 P2 177.3(3) . . . . ?
Ag1 N2 C18 P2 1.8(4) . . . . ?
C23 P2 C18 N2 -76.6(3) . . . . ?
C12 P2 C18 N2 173.8(3) . . . . ?
Ag2 P2 C18 N2 41.0(3) . . . . ?
C23 P2 C18 C19 102.3(4) . . . . ?
C12 P2 C18 C19 -7.3(4) . . . . ?
Ag2 P2 C18 C19 -140.1(3) . . . . ?
N2 C18 C19 C20 0.1(6) . . . . ?
P2 C18 C19 C20 -178.7(3) . . . . ?
C18 C19 C20 C21 0.9(7) . . . . ?
C19 C20 C21 C22 -0.4(7) . . . . ?
C18 N2 C22 C21 2.2(6) . . . . ?
Ag1 N2 C22 C21 177.7(3) . . . . ?
C20 C21 C22 N2 -1.1(7) . . . . ?
C12 P2 C23 C28 94.8(4) . . . . ?
C18 P2 C23 C28 -13.6(4) . . . . ?
Ag2 P2 C23 C28 -137.1(3) . . . . ?
C12 P2 C23 C24 -85.2(3) . . . . ?
C18 P2 C23 C24 166.4(3) . . . . ?
Ag2 P2 C23 C24 42.9(3) . . . . ?
C28 C23 C24 C25 -1.9(6) . . . . ?
P2 C23 C24 C25 178.1(3) . . . . ?
C23 C24 C25 C26 1.0(6) . . . . ?
C24 C25 C26 C27 1.3(6) . . . . ?
C25 C26 C27 C28 -2.7(6) . . . . ?
C26 C27 C28 C23 1.8(6) . . . . ?
C24 C23 C28 C27 0.5(6) . . . . ?
P2 C23 C28 C27 -179.4(3) . . . . ?
C1 P1 C29 C34 -78.9(3) . . . . ?
C7 P1 C29 C34 173.6(3) . . . . ?
Ag1 P1 C29 C34 47.8(3) . . . . ?
C1 P1 C29 C30 99.5(3) . . . . ?
C7 P1 C29 C30 -8.0(4) . . . . ?
Ag1 P1 C29 C30 -133.9(3) . . . . ?
C34 C29 C30 C31 0.3(6) . . . . ?
P1 C29 C30 C31 -178.0(3) . . . . ?
C29 C30 C31 C32 1.9(6) . . . . ?
C30 C31 C32 C33 -1.9(7) . . . . ?
C31 C32 C33 C34 -0.2(7) . . . . ?
C30 C29 C34 C33 -2.4(6) . . . . ?
P1 C29 C34 C33 176.0(3) . . . . ?
C32 C33 C34 C29 2.4(7) . . . . ?

_refine_diff_density_max         0.848
_refine_diff_density_min         -1.278
_refine_diff_density_rms         0.186

