#------------------------------------------------------------------------------
#$Date: 2025-10-06 12:04:23 +0200 (Mon 06 de Oct de 2025) $
#$Revision: 302709 $
#$URL: svn://www.crystallography.net/cod/cif/1/57/49/1574908.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1574908
loop_
_publ_author_name
'Peter, Blessing D.'
'Yi, Qiuhao'
'Luo, Zhixun'
_publ_section_title
;
 Studying how small silver clusters grow and their optical properties.
;
_journal_issue                   34
_journal_name_full               Nanoscale
_journal_page_first              19821
_journal_page_last               19827
_journal_paper_doi               10.1039/d5nr01269d
_journal_volume                  17
_journal_year                    2025
_chemical_formula_moiety
'C68 H56 Ag N4 P4, 0.795(C H2 Cl2), N O3, C2 H6 O'
_chemical_formula_sum            'C70.79 H63.59 Ag Cl1.59 N5 O4 P4'
_chemical_formula_weight         1336.51
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2025-06-16
_audit_creation_method
;
Olex2 1.5
(compiled 2025.05.31 svn.r86d253d1 for OlexSys, GUI svn.r7254)
;
_audit_update_record
;
2025-06-17 deposited with the CCDC.	2025-06-19 downloaded from the CCDC.
;
_cell_angle_alpha                91.203(2)
_cell_angle_beta                 91.613(2)
_cell_angle_gamma                96.934(2)
_cell_formula_units_Z            2
_cell_length_a                   11.9103(3)
_cell_length_b                   13.7805(4)
_cell_length_c                   19.6808(5)
_cell_measurement_reflns_used    27491
_cell_measurement_temperature    170.00(10)
_cell_measurement_theta_max      30.9660
_cell_measurement_theta_min      1.6880
_cell_volume                     3204.34(15)
_computing_cell_refinement       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.840
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -79.00 -51.00   0.50   10.95    --  -10.80  45.00 132.78   56
  2  ω    -15.00  11.00   0.50   10.95    --  -10.80  45.00 132.78   52
  3  ω     53.00  78.00   0.50   10.95    --  -10.80  45.00 132.78   50
  4  ω    -74.00 -38.00   0.50   10.95    --  -10.80  45.00  60.00   72
  5  ω    -26.00  69.00   0.50   10.95    --  -10.80  45.00  60.00  190
  6  ω   -100.00 -64.00   0.50   10.95    --  -10.80  45.00 -17.71   72
  7  ω    -44.00  77.00   0.50   10.95    --  -10.80  45.00 -17.71  242
  8  ω   -100.00 -47.00   0.50   10.95    --  -10.80  45.00 150.00  106
  9  ω    -48.00  78.00   0.50   10.95    --  -10.80  45.00 177.71  252
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0206780000
_diffrn_orient_matrix_UB_12      -0.0312015000
_diffrn_orient_matrix_UB_13      -0.0278585000
_diffrn_orient_matrix_UB_21      -0.0543099000
_diffrn_orient_matrix_UB_22      0.0155395000
_diffrn_orient_matrix_UB_23      0.0031012000
_diffrn_orient_matrix_UB_31      0.0150137000
_diffrn_orient_matrix_UB_32      0.0384070000
_diffrn_orient_matrix_UB_33      -0.0226860000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_av_unetI/netI     0.0293
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.840
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            52013
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.840
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.972
_diffrn_reflns_theta_min         1.723
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.534
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72387
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.45i (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_description       block
_exptl_crystal_F_000             1379
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.861
_refine_diff_density_min         -0.684
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     814
_refine_ls_number_reflns         17117
_refine_ls_number_restraints     73
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0399
_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)+(0.0626P)²+1.8241P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1089
_refine_ls_wR_factor_ref         0.1128
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14727
_reflns_number_total             17117
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5nr01269d2.cif
_cod_data_source_block           mx11116
_cod_depositor_comments
'Adding full bibliography for 1574898--1574913.cif.'
_cod_database_code               1574908
_shelx_shelxl_version_number     2019/3
_chemical_oxdiff_formula         AgNOPCHCl
_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.
;
_diffrn_oxdiff_ac3_digest_frames
;
0146bc64521475ee915f74d8c07b20a20c000257355
;
_diffrn_oxdiff_ac3_digest_hkl
;
01afdb2e4fa162fdef0f48e928cdc2f3002e5a
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O4-C71
 1.43 with sigma of 0.01
 Cl1A-C72 = Cl2A-C72 = Cl1-C72A = Cl2-C72A
 1.76 with sigma of 0.01
 C70-C71
 1.54 with sigma of 0.01
3. Rigid bond restraints
 C67, C68
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C72 \\sim Cl1A \\sim Cl2A \\sim Cl2 \\sim C72A \\sim Cl1: within 1.9A with
sigma of 0.02 and sigma for terminal atoms of 0.04 within 1.9A
5. Others
 Sof(Cl1)=Sof(Cl2)=Sof(C72A)=Sof(H72A)=Sof(H72B)=FVAR(1)
 Sof(Cl2A)=Sof(Cl1A)=Sof(C72)=Sof(H72C)=Sof(H72D)=FVAR(2)
6.a Riding coordinates:
 O4(H4A)
6.b Secondary CH2 refined with riding coordinates:
 C72A(H72A,H72B), C71(H71A,H71B), C72(H72C,H72D)
6.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C7(H7), C8(H8), C9(H9), C10(H10), C11(H11),
 C13(H13), C14(H14), C15(H15), C16(H16), C17(H17), C19(H19), C20(H20), C21(H21),
  C22(H22), C23(H23), C25(H25), C26(H26), C27(H27), C28(H28), C30(H30),
 C31(H31), C32(H32), C33(H33), C34(H34), C36(H36), C37(H37), C38(H38), C39(H39),
  C41(H41), C42(H42), C43(H43), C44(H44), C45(H45), C47(H47), C48(H48),
 C49(H49), C50(H50), C51(H51), C53(H53), C54(H54), C55(H55), C56(H56), C58(H58),
  C59(H59), C60(H60), C61(H61), C62(H62), C64(H64), C65(H65), C66(H66),
 C67(H67), C68(H68)
6.d Idealised Me refined as rotating group:
 C70(H70A,H70B,H70C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.540
_oxdiff_exptl_absorpt_empirical_full_min 0.649
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0.50931(2) 0.23946(2) 0.25314(2) 0.02635(5) Uani 1 1 d . . . . .
P1 P 0.36100(4) 0.26003(4) 0.34385(3) 0.02977(11) Uani 1 1 d . . . . .
P2 P 0.67168(4) 0.38143(4) 0.26856(3) 0.03080(11) Uani 1 1 d . . . . .
P3 P 0.58817(4) 0.07570(4) 0.27392(3) 0.02882(11) Uani 1 1 d . . . . .
P4 P 0.42002(5) 0.24205(4) 0.13334(3) 0.03211(11) Uani 1 1 d . . . . .
N1 N 0.39655(18) 0.45246(16) 0.33058(11) 0.0452(5) Uani 1 1 d . . . . .
N2 N 0.8100(2) 0.26219(17) 0.21721(14) 0.0565(6) Uani 1 1 d . . . . .
N3 N 0.39613(18) -0.00131(16) 0.32844(11) 0.0458(5) Uani 1 1 d . . . . .
N4 N 0.2989(2) 0.3943(2) 0.15740(13) 0.0660(7) Uani 1 1 d . . . . .
C1 C 0.31099(18) 0.38009(16) 0.33632(10) 0.0323(4) Uani 1 1 d . . . . .
C2 C 0.1982(2) 0.39577(18) 0.33313(13) 0.0412(5) Uani 1 1 d . . . . .
H2 H 0.139875 0.342866 0.336910 0.049 Uiso 1 1 calc R U . . .
C3 C 0.1721(2) 0.4902(2) 0.32433(14) 0.0498(6) Uani 1 1 d . . . . .
H3 H 0.095512 0.502969 0.321984 0.060 Uiso 1 1 calc R U . . .
C4 C 0.2585(3) 0.56489(19) 0.31906(14) 0.0536(7) Uani 1 1 d . . . . .
H4 H 0.242799 0.630245 0.313356 0.064 Uiso 1 1 calc R U . . .
C5 C 0.3687(3) 0.5432(2) 0.32221(15) 0.0543(7) Uani 1 1 d . . . . .
H5 H 0.428020 0.595240 0.318237 0.065 Uiso 1 1 calc R U . . .
C6 C 0.41177(17) 0.26263(16) 0.43224(11) 0.0319(4) Uani 1 1 d . . . . .
C7 C 0.4823(2) 0.19445(18) 0.45069(12) 0.0415(5) Uani 1 1 d . . . . .
H7 H 0.503215 0.149166 0.417718 0.050 Uiso 1 1 calc R U . . .
C8 C 0.5224(2) 0.1921(2) 0.51735(14) 0.0505(6) Uani 1 1 d . . . . .
H8 H 0.570677 0.144924 0.529805 0.061 Uiso 1 1 calc R U . . .
C9 C 0.4937(2) 0.2566(2) 0.56511(13) 0.0495(6) Uani 1 1 d . . . . .
H9 H 0.521532 0.254341 0.610674 0.059 Uiso 1 1 calc R U . . .
C10 C 0.4242(3) 0.3250(2) 0.54729(14) 0.0540(7) Uani 1 1 d . . . . .
H10 H 0.404489 0.370464 0.580556 0.065 Uiso 1 1 calc R U . . .
C11 C 0.3827(2) 0.32823(19) 0.48105(12) 0.0452(5) Uani 1 1 d . . . . .
H11 H 0.334195 0.375470 0.469075 0.054 Uiso 1 1 calc R U . . .
C12 C 0.22930(17) 0.17796(16) 0.34532(11) 0.0327(4) Uani 1 1 d . . . . .
C13 C 0.17408(18) 0.15403(18) 0.40474(12) 0.0392(5) Uani 1 1 d . . . . .
H13 H 0.205157 0.180825 0.447024 0.047 Uiso 1 1 calc R U . . .
C14 C 0.0741(2) 0.0915(2) 0.40307(15) 0.0527(7) Uani 1 1 d . . . . .
H14 H 0.036873 0.075494 0.444155 0.063 Uiso 1 1 calc R U . . .
C15 C 0.0286(2) 0.0526(2) 0.34269(18) 0.0608(8) Uani 1 1 d . . . . .
H15 H -0.039770 0.009220 0.341858 0.073 Uiso 1 1 calc R U . . .
C16 C 0.0809(3) 0.0757(3) 0.28379(17) 0.0639(8) Uani 1 1 d . . . . .
H16 H 0.048196 0.049276 0.241794 0.077 Uiso 1 1 calc R U . . .
C17 C 0.1825(2) 0.1381(2) 0.28454(14) 0.0529(6) Uani 1 1 d . . . . .
H17 H 0.219412 0.153076 0.243211 0.064 Uiso 1 1 calc R U . . .
C18 C 0.73379(18) 0.40524(15) 0.35408(11) 0.0345(4) Uani 1 1 d . . . . .
C19 C 0.8493(2) 0.4095(2) 0.36878(15) 0.0556(7) Uani 1 1 d . . . . .
H19 H 0.900236 0.402058 0.333266 0.067 Uiso 1 1 calc R U . . .
C20 C 0.8899(3) 0.4245(3) 0.43524(17) 0.0723(10) Uani 1 1 d . . . . .
H20 H 0.968625 0.426441 0.445319 0.087 Uiso 1 1 calc R U . . .
C21 C 0.8172(3) 0.4366(2) 0.48648(15) 0.0637(8) Uani 1 1 d . . . . .
H21 H 0.845748 0.448841 0.531813 0.076 Uiso 1 1 calc R U . . .
C22 C 0.7042(3) 0.4312(2) 0.47256(14) 0.0540(7) Uani 1 1 d . . . . .
H22 H 0.653923 0.437791 0.508510 0.065 Uiso 1 1 calc R U . . .
C23 C 0.6617(2) 0.41600(17) 0.40648(13) 0.0417(5) Uani 1 1 d . . . . .
H23 H 0.582608 0.413015 0.397276 0.050 Uiso 1 1 calc R U . . .
C24 C 0.79459(18) 0.35732(16) 0.22058(12) 0.0354(4) Uani 1 1 d . . . . .
C25 C 0.8683(3) 0.4297(2) 0.19218(19) 0.0678(9) Uani 1 1 d . . . . .
H25 H 0.854891 0.496257 0.194936 0.081 Uiso 1 1 calc R U . . .
C26 C 0.9618(3) 0.4033(4) 0.1598(3) 0.1003(16) Uani 1 1 d . . . . .
H26 H 1.014419 0.451535 0.140529 0.120 Uiso 1 1 calc R U . . .
C27 C 0.9777(4) 0.3062(4) 0.1558(2) 0.0993(15) Uani 1 1 d . . . . .
H27 H 1.040690 0.286607 0.132857 0.119 Uiso 1 1 calc R U . . .
C28 C 0.9027(3) 0.2387(3) 0.1849(2) 0.0774(10) Uani 1 1 d . . . . .
H28 H 0.915623 0.171991 0.182548 0.093 Uiso 1 1 calc R U . . .
C29 C 0.64843(18) 0.50346(15) 0.24077(12) 0.0349(4) Uani 1 1 d . . . . .
C30 C 0.5884(2) 0.5084(2) 0.18140(16) 0.0560(7) Uani 1 1 d . . . . .
H30 H 0.558131 0.450070 0.157512 0.067 Uiso 1 1 calc R U . . .
C31 C 0.5714(3) 0.5987(3) 0.15567(19) 0.0690(9) Uani 1 1 d . . . . .
H31 H 0.528839 0.601601 0.114367 0.083 Uiso 1 1 calc R U . . .
C32 C 0.6146(3) 0.6827(2) 0.18861(18) 0.0663(8) Uani 1 1 d . . . . .
H32 H 0.606157 0.744257 0.169559 0.080 Uiso 1 1 calc R U . . .
C33 C 0.6701(4) 0.6776(2) 0.2491(2) 0.0844(12) Uani 1 1 d . . . . .
H33 H 0.697329 0.736181 0.273725 0.101 Uiso 1 1 calc R U . . .
C34 C 0.6880(3) 0.58793(19) 0.27575(16) 0.0639(8) Uani 1 1 d . . . . .
H34 H 0.727531 0.585378 0.318141 0.077 Uiso 1 1 calc R U . . .
C35 C 0.47221(17) -0.02278(14) 0.28301(11) 0.0301(4) Uani 1 1 d . . . . .
C36 C 0.4588(2) -0.10909(16) 0.24473(12) 0.0391(5) Uani 1 1 d . . . . .
H36 H 0.514118 -0.122449 0.213145 0.047 Uiso 1 1 calc R U . . .
C37 C 0.3641(2) -0.17543(18) 0.25300(14) 0.0463(6) Uani 1 1 d . . . . .
H37 H 0.353387 -0.234956 0.227099 0.056 Uiso 1 1 calc R U . . .
C38 C 0.2852(2) -0.1545(2) 0.29920(14) 0.0476(6) Uani 1 1 d . . . . .
H38 H 0.219092 -0.198871 0.305541 0.057 Uiso 1 1 calc R U . . .
C39 C 0.3043(2) -0.0678(2) 0.33598(14) 0.0510(6) Uani 1 1 d . . . . .
H39 H 0.250245 -0.053836 0.368279 0.061 Uiso 1 1 calc R U . . .
C40 C 0.67707(17) 0.02308(14) 0.21262(11) 0.0305(4) Uani 1 1 d . . . . .
C41 C 0.6614(2) 0.04252(18) 0.14458(13) 0.0448(5) Uani 1 1 d . . . . .
H41 H 0.606938 0.083866 0.130994 0.054 Uiso 1 1 calc R U . . .
C42 C 0.7253(3) 0.0016(2) 0.09613(14) 0.0526(6) Uani 1 1 d . . . . .
H42 H 0.714393 0.015392 0.049487 0.063 Uiso 1 1 calc R U . . .
C43 C 0.8040(2) -0.0587(2) 0.11486(15) 0.0517(6) Uani 1 1 d . . . . .
H43 H 0.846787 -0.086877 0.081335 0.062 Uiso 1 1 calc R U . . .
C44 C 0.8205(2) -0.0779(2) 0.18250(15) 0.0512(6) Uani 1 1 d . . . . .
H44 H 0.875159 -0.119224 0.195748 0.061 Uiso 1 1 calc R U . . .
C45 C 0.75773(19) -0.03715(17) 0.23128(12) 0.0390(5) Uani 1 1 d . . . . .
H45 H 0.769850 -0.050472 0.277900 0.047 Uiso 1 1 calc R U . . .
C46 C 0.66775(17) 0.07120(15) 0.35412(11) 0.0319(4) Uani 1 1 d . . . . .
C47 C 0.6521(2) -0.0062(2) 0.39780(14) 0.0500(6) Uani 1 1 d . . . . .
H47 H 0.599176 -0.061612 0.385920 0.060 Uiso 1 1 calc R U . . .
C48 C 0.7135(3) -0.0033(2) 0.45890(15) 0.0593(8) Uani 1 1 d . . . . .
H48 H 0.702222 -0.056528 0.488870 0.071 Uiso 1 1 calc R U . . .
C49 C 0.7902(2) 0.0761(2) 0.47613(13) 0.0538(7) Uani 1 1 d . . . . .
H49 H 0.832603 0.077824 0.517861 0.065 Uiso 1 1 calc R U . . .
C50 C 0.8059(2) 0.1529(2) 0.43321(14) 0.0524(6) Uani 1 1 d . . . . .
H50 H 0.859017 0.208070 0.445318 0.063 Uiso 1 1 calc R U . . .
C51 C 0.7446(2) 0.15100(18) 0.37203(12) 0.0406(5) Uani 1 1 d . . . . .
H51 H 0.755712 0.204769 0.342523 0.049 Uiso 1 1 calc R U . . .
C52 C 0.36322(18) 0.35462(16) 0.10982(11) 0.0345(4) Uani 1 1 d . . . . .
C53 C 0.3840(2) 0.39983(18) 0.04860(12) 0.0412(5) Uani 1 1 d . . . . .
H53 H 0.427790 0.371640 0.015599 0.049 Uiso 1 1 calc R U . . .
C54 C 0.3404(2) 0.4866(2) 0.03585(16) 0.0513(6) Uani 1 1 d . . . . .
H54 H 0.354948 0.518143 -0.005988 0.062 Uiso 1 1 calc R U . . .
C55 C 0.2764(2) 0.5273(2) 0.08289(17) 0.0549(7) Uani 1 1 d . . . . .
H55 H 0.246328 0.586606 0.073793 0.066 Uiso 1 1 calc R U . . .
C56 C 0.2565(3) 0.4820(3) 0.14259(16) 0.0648(8) Uani 1 1 d . . . . .
H56 H 0.212561 0.510685 0.175284 0.078 Uiso 1 1 calc R U . . .
C57 C 0.30125(18) 0.14733(16) 0.11471(10) 0.0338(4) Uani 1 1 d . . . . .
C58 C 0.20483(19) 0.16387(18) 0.07785(12) 0.0398(5) Uani 1 1 d . . . . .
H58 H 0.198903 0.226253 0.059382 0.048 Uiso 1 1 calc R U . . .
C59 C 0.1169(2) 0.0885(2) 0.06810(14) 0.0506(6) Uani 1 1 d . . . . .
H59 H 0.050802 0.099200 0.042597 0.061 Uiso 1 1 calc R U . . .
C60 C 0.1253(3) -0.0015(2) 0.09524(15) 0.0537(7) Uani 1 1 d . . . . .
H60 H 0.064745 -0.052851 0.089265 0.064 Uiso 1 1 calc R U . . .
C61 C 0.2224(3) -0.0165(2) 0.13125(15) 0.0569(7) Uani 1 1 d . . . . .
H61 H 0.228713 -0.078904 0.149632 0.068 Uiso 1 1 calc R U . . .
C62 C 0.3104(2) 0.05748(17) 0.14100(12) 0.0429(5) Uani 1 1 d . . . . .
H62 H 0.377025 0.046150 0.165790 0.051 Uiso 1 1 calc R U . . .
C63 C 0.51752(19) 0.22534(16) 0.06557(11) 0.0354(4) Uani 1 1 d . . . . .
C64 C 0.4897(2) 0.1663(2) 0.00851(14) 0.0525(6) Uani 1 1 d . . . . .
H64 H 0.415786 0.132233 0.002219 0.063 Uiso 1 1 calc R U . . .
C65 C 0.5712(3) 0.1575(3) -0.03947(18) 0.0702(9) Uani 1 1 d . . . . .
H65 H 0.553239 0.116165 -0.078446 0.084 Uiso 1 1 calc R U . . .
C66 C 0.6770(3) 0.2076(2) -0.03134(19) 0.0664(9) Uani 1 1 d . . . . .
H66 H 0.731920 0.202737 -0.064908 0.080 Uiso 1 1 calc R U . . .
C67 C 0.7024(3) 0.2645(2) 0.02536(18) 0.0625(8) Uani 1 1 d . U . . .
H67 H 0.776453 0.298363 0.031660 0.075 Uiso 1 1 calc R U . . .
C68 C 0.6236(2) 0.27434(19) 0.07395(13) 0.0456(5) Uani 1 1 d . U . . .
H68 H 0.642960 0.315035 0.113119 0.055 Uiso 1 1 calc R U . . .
Cl1 Cl 1.05152(18) 0.72152(19) 0.41432(11) 0.1015(8) Uani 0.557(3) 1 d D U P A 1
Cl2 Cl 0.84535(17) 0.80939(18) 0.39323(9) 0.0915(7) Uani 0.557(3) 1 d D U P A 1
C72A C 0.9409(7) 0.7346(8) 0.3616(4) 0.111(3) Uani 0.557(3) 1 d D U P A 1
H72A H 0.899661 0.669091 0.350884 0.133 Uiso 0.557(3) 1 calc R U P A 1
H72B H 0.970168 0.761897 0.318561 0.133 Uiso 0.557(3) 1 calc R U P A 1
O1 O -0.0574(4) 0.3425(3) -0.2381(3) 0.168(2) Uani 1 1 d . . . . .
O2 O -0.1376(3) 0.2904(4) -0.1521(3) 0.161(2) Uani 1 1 d . . . . .
O3 O -0.0369(3) 0.2079(2) -0.2049(2) 0.1125(12) Uani 1 1 d . . . . .
N5 N -0.0758(2) 0.2811(2) -0.19971(17) 0.0671(7) Uani 1 1 d . . . . .
O4 O 0.0035(4) 0.2467(3) -0.0361(2) 0.1431(17) Uani 1 1 d D . . . .
H4A H -0.047888 0.237083 -0.066456 0.215 Uiso 1 1 d R U . . .
C70 C 0.1489(4) 0.3385(5) -0.0827(3) 0.1166(19) Uani 1 1 d D . . . .
H70A H 0.118844 0.341552 -0.129400 0.175 Uiso 1 1 calc R U . . .
H70B H 0.178089 0.275725 -0.076414 0.175 Uiso 1 1 calc R U . . .
H70C H 0.210144 0.391942 -0.074280 0.175 Uiso 1 1 calc R U . . .
C71 C 0.0546(5) 0.3484(5) -0.0329(3) 0.140(2) Uani 1 1 d D . . . .
H71A H 0.084539 0.369026 0.013236 0.168 Uiso 1 1 calc R U . . .
H71B H 0.001667 0.393713 -0.049103 0.168 Uiso 1 1 calc R U . . .
Cl2A Cl 0.8986(11) 0.8118(8) 0.3312(6) 0.198(5) Uani 0.237(4) 1 d D U P B 2
Cl1A Cl 0.9273(10) 0.6798(11) 0.4244(6) 0.228(6) Uani 0.237(4) 1 d D U P B 2
C72 C 0.953(2) 0.8055(12) 0.4112(8) 0.122(6) Uani 0.237(4) 1 d D U P B 2
H72C H 0.913393 0.843316 0.444229 0.147 Uiso 0.237(4) 1 calc R U P B 2
H72D H 1.035110 0.828992 0.413837 0.147 Uiso 0.237(4) 1 calc R U P B 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
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 108.565(18) . . ?
P1 Ag1 P3 107.699(18) . . ?
P3 Ag1 P2 109.249(17) . . ?
P4 Ag1 P1 110.606(18) . . ?
P4 Ag1 P2 109.628(19) . . ?
P4 Ag1 P3 111.033(18) . . ?
C1 P1 Ag1 109.66(7) . . ?
C6 P1 Ag1 116.20(7) . . ?
C6 P1 C1 102.19(10) . . ?
C12 P1 Ag1 121.22(7) . . ?
C12 P1 C1 102.46(10) . . ?
C12 P1 C6 102.73(10) . . ?
C18 P2 Ag1 117.25(7) . . ?
C18 P2 C29 102.87(10) . . ?
C24 P2 Ag1 111.20(7) . . ?
C24 P2 C18 101.70(10) . . ?
C24 P2 C29 102.31(10) . . ?
C29 P2 Ag1 119.16(7) . . ?
C35 P3 Ag1 110.39(6) . . ?
C40 P3 Ag1 121.75(7) . . ?
C40 P3 C35 102.55(9) . . ?
C40 P3 C46 103.16(9) . . ?
C46 P3 Ag1 114.63(7) . . ?
C46 P3 C35 102.02(10) . . ?
C52 P4 Ag1 116.45(7) . . ?
C57 P4 Ag1 115.16(7) . . ?
C57 P4 C52 103.24(10) . . ?
C63 P4 Ag1 113.94(7) . . ?
C63 P4 C52 102.67(10) . . ?
C63 P4 C57 103.70(10) . . ?
C5 N1 C1 117.1(2) . . ?
C24 N2 C28 117.3(3) . . ?
C35 N3 C39 117.5(2) . . ?
C52 N4 C56 118.2(3) . . ?
N1 C1 P1 112.34(16) . . ?
N1 C1 C2 122.8(2) . . ?
C2 C1 P1 124.74(17) . . ?
C1 C2 H2 120.6 . . ?
C1 C2 C3 118.7(2) . . ?
C3 C2 H2 120.6 . . ?
C2 C3 H3 120.5 . . ?
C4 C3 C2 119.1(2) . . ?
C4 C3 H3 120.5 . . ?
C3 C4 H4 120.6 . . ?
C3 C4 C5 118.7(2) . . ?
C5 C4 H4 120.6 . . ?
N1 C5 C4 123.5(3) . . ?
N1 C5 H5 118.2 . . ?
C4 C5 H5 118.2 . . ?
C7 C6 P1 117.36(17) . . ?
C7 C6 C11 119.1(2) . . ?
C11 C6 P1 123.56(17) . . ?
C6 C7 H7 120.0 . . ?
C6 C7 C8 120.0(2) . . ?
C8 C7 H7 120.0 . . ?
C7 C8 H8 119.6 . . ?
C9 C8 C7 120.8(2) . . ?
C9 C8 H8 119.6 . . ?
C8 C9 H9 120.1 . . ?
C8 C9 C10 119.8(2) . . ?
C10 C9 H9 120.1 . . ?
C9 C10 H10 119.8 . . ?
C9 C10 C11 120.3(2) . . ?
C11 C10 H10 119.8 . . ?
C6 C11 H11 120.0 . . ?
C10 C11 C6 120.1(2) . . ?
C10 C11 H11 120.0 . . ?
C13 C12 P1 122.82(17) . . ?
C17 C12 P1 118.53(18) . . ?
C17 C12 C13 118.7(2) . . ?
C12 C13 H13 119.7 . . ?
C14 C13 C12 120.6(2) . . ?
C14 C13 H13 119.7 . . ?
C13 C14 H14 119.9 . . ?
C15 C14 C13 120.3(3) . . ?
C15 C14 H14 119.9 . . ?
C14 C15 H15 119.9 . . ?
C16 C15 C14 120.2(3) . . ?
C16 C15 H15 119.9 . . ?
C15 C16 H16 119.8 . . ?
C15 C16 C17 120.4(3) . . ?
C17 C16 H16 119.8 . . ?
C12 C17 C16 120.0(3) . . ?
C12 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C19 C18 P2 123.11(19) . . ?
C23 C18 P2 117.90(17) . . ?
C23 C18 C19 119.0(2) . . ?
C18 C19 H19 120.1 . . ?
C20 C19 C18 119.9(3) . . ?
C20 C19 H19 120.1 . . ?
C19 C20 H20 119.8 . . ?
C21 C20 C19 120.3(3) . . ?
C21 C20 H20 119.8 . . ?
C20 C21 H21 120.0 . . ?
C22 C21 C20 120.0(3) . . ?
C22 C21 H21 120.0 . . ?
C21 C22 H22 119.7 . . ?
C21 C22 C23 120.7(3) . . ?
C23 C22 H22 119.7 . . ?
C18 C23 C22 120.1(2) . . ?
C18 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
N2 C24 P2 113.70(18) . . ?
N2 C24 C25 122.5(2) . . ?
C25 C24 P2 123.73(19) . . ?
C24 C25 H25 120.7 . . ?
C26 C25 C24 118.6(3) . . ?
C26 C25 H25 120.7 . . ?
C25 C26 H26 120.4 . . ?
C27 C26 C25 119.2(4) . . ?
C27 C26 H26 120.4 . . ?
C26 C27 H27 120.3 . . ?
C28 C27 C26 119.5(3) . . ?
C28 C27 H27 120.3 . . ?
N2 C28 H28 118.6 . . ?
C27 C28 N2 122.9(3) . . ?
C27 C28 H28 118.6 . . ?
C30 C29 P2 116.80(18) . . ?
C30 C29 C34 119.3(2) . . ?
C34 C29 P2 123.9(2) . . ?
C29 C30 H30 120.0 . . ?
C29 C30 C31 120.0(3) . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 119.5 . . ?
C32 C31 C30 120.9(3) . . ?
C32 C31 H31 119.5 . . ?
C31 C32 H32 120.5 . . ?
C33 C32 C31 119.0(3) . . ?
C33 C32 H32 120.5 . . ?
C32 C33 H33 119.5 . . ?
C32 C33 C34 120.9(3) . . ?
C34 C33 H33 119.5 . . ?
C29 C34 C33 119.8(3) . . ?
C29 C34 H34 120.1 . . ?
C33 C34 H34 120.1 . . ?
N3 C35 P3 113.32(16) . . ?
N3 C35 C36 122.2(2) . . ?
C36 C35 P3 124.35(17) . . ?
C35 C36 H36 120.4 . . ?
C37 C36 C35 119.2(2) . . ?
C37 C36 H36 120.4 . . ?
C36 C37 H37 120.4 . . ?
C38 C37 C36 119.3(2) . . ?
C38 C37 H37 120.4 . . ?
C37 C38 H38 120.7 . . ?
C39 C38 C37 118.5(2) . . ?
C39 C38 H38 120.7 . . ?
N3 C39 C38 123.3(2) . . ?
N3 C39 H39 118.4 . . ?
C38 C39 H39 118.4 . . ?
C41 C40 P3 118.23(16) . . ?
C41 C40 C45 118.9(2) . . ?
C45 C40 P3 122.80(17) . . ?
C40 C41 H41 120.0 . . ?
C40 C41 C42 120.0(2) . . ?
C42 C41 H41 120.0 . . ?
C41 C42 H42 119.6 . . ?
C43 C42 C41 120.8(3) . . ?
C43 C42 H42 119.6 . . ?
C42 C43 H43 120.2 . . ?
C42 C43 C44 119.6(2) . . ?
C44 C43 H43 120.2 . . ?
C43 C44 H44 119.9 . . ?
C43 C44 C45 120.2(2) . . ?
C45 C44 H44 119.9 . . ?
C40 C45 H45 119.7 . . ?
C44 C45 C40 120.6(2) . . ?
C44 C45 H45 119.7 . . ?
C47 C46 P3 123.42(18) . . ?
C51 C46 P3 117.28(17) . . ?
C51 C46 C47 119.3(2) . . ?
C46 C47 H47 119.9 . . ?
C46 C47 C48 120.2(2) . . ?
C48 C47 H47 119.9 . . ?
C47 C48 H48 119.9 . . ?
C49 C48 C47 120.1(3) . . ?
C49 C48 H48 119.9 . . ?
C48 C49 H49 120.0 . . ?
C50 C49 C48 119.9(2) . . ?
C50 C49 H49 120.0 . . ?
C49 C50 H50 119.8 . . ?
C49 C50 C51 120.5(3) . . ?
C51 C50 H50 119.8 . . ?
C46 C51 C50 120.0(2) . . ?
C46 C51 H51 120.0 . . ?
C50 C51 H51 120.0 . . ?
N4 C52 P4 116.08(18) . . ?
N4 C52 C53 120.6(2) . . ?
C53 C52 P4 123.26(17) . . ?
C52 C53 H53 120.3 . . ?
C52 C53 C54 119.4(2) . . ?
C54 C53 H53 120.3 . . ?
C53 C54 H54 119.7 . . ?
C55 C54 C53 120.7(3) . . ?
C55 C54 H54 119.7 . . ?
C54 C55 H55 120.4 . . ?
C56 C55 C54 119.3(3) . . ?
C56 C55 H55 120.4 . . ?
N4 C56 H56 119.1 . . ?
C55 C56 N4 121.8(3) . . ?
C55 C56 H56 119.1 . . ?
C58 C57 P4 123.33(18) . . ?
C62 C57 P4 116.19(17) . . ?
C62 C57 C58 120.5(2) . . ?
C57 C58 H58 120.3 . . ?
C57 C58 C59 119.5(2) . . ?
C59 C58 H58 120.3 . . ?
C58 C59 H59 119.9 . . ?
C60 C59 C58 120.2(3) . . ?
C60 C59 H59 119.9 . . ?
C59 C60 H60 120.3 . . ?
C59 C60 C61 119.3(3) . . ?
C61 C60 H60 120.3 . . ?
C60 C61 H61 119.5 . . ?
C62 C61 C60 121.1(3) . . ?
C62 C61 H61 119.5 . . ?
C57 C62 C61 119.5(2) . . ?
C57 C62 H62 120.3 . . ?
C61 C62 H62 120.3 . . ?
C64 C63 P4 123.83(19) . . ?
C68 C63 P4 116.14(18) . . ?
C68 C63 C64 120.0(2) . . ?
C63 C64 H64 120.5 . . ?
C63 C64 C65 119.0(3) . . ?
C65 C64 H64 120.5 . . ?
C64 C65 H65 119.6 . . ?
C66 C65 C64 120.8(3) . . ?
C66 C65 H65 119.6 . . ?
C65 C66 H66 120.5 . . ?
C67 C66 C65 119.0(3) . . ?
C67 C66 H66 120.5 . . ?
C66 C67 H67 119.2 . . ?
C66 C67 C68 121.5(3) . . ?
C68 C67 H67 119.2 . . ?
C63 C68 C67 119.6(3) . . ?
C63 C68 H68 120.2 . . ?
C67 C68 H68 120.2 . . ?
Cl1 C72A Cl2 115.0(5) . . ?
Cl1 C72A H72A 108.5 . . ?
Cl1 C72A H72B 108.5 . . ?
Cl2 C72A H72A 108.5 . . ?
Cl2 C72A H72B 108.5 . . ?
H72A C72A H72B 107.5 . . ?
O1 N5 O2 121.0(5) . . ?
O1 N5 O3 121.5(5) . . ?
O3 N5 O2 117.5(5) . . ?
C71 O4 H4A 111.8 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C71 C70 H70A 109.5 . . ?
C71 C70 H70B 109.5 . . ?
C71 C70 H70C 109.5 . . ?
O4 C71 C70 97.6(5) . . ?
O4 C71 H71A 112.2 . . ?
O4 C71 H71B 112.2 . . ?
C70 C71 H71A 112.2 . . ?
C70 C71 H71B 112.2 . . ?
H71A C71 H71B 109.8 . . ?
Cl2A C72 Cl1A 100.8(10) . . ?
Cl2A C72 H72C 111.6 . . ?
Cl2A C72 H72D 111.6 . . ?
Cl1A C72 H72C 111.6 . . ?
Cl1A C72 H72D 111.6 . . ?
H72C C72 H72D 109.4 . . ?
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 2.5817(5) . ?
Ag1 P2 2.5862(5) . ?
Ag1 P3 2.5828(5) . ?
Ag1 P4 2.5617(5) . ?
P1 C1 1.832(2) . ?
P1 C6 1.824(2) . ?
P1 C12 1.821(2) . ?
P2 C18 1.826(2) . ?
P2 C24 1.824(2) . ?
P2 C29 1.829(2) . ?
P3 C35 1.831(2) . ?
P3 C40 1.823(2) . ?
P3 C46 1.824(2) . ?
P4 C52 1.829(2) . ?
P4 C57 1.829(2) . ?
P4 C63 1.822(2) . ?
N1 C1 1.346(3) . ?
N1 C5 1.344(4) . ?
N2 C24 1.346(3) . ?
N2 C28 1.359(4) . ?
N3 C35 1.344(3) . ?
N3 C39 1.353(4) . ?
N4 C52 1.372(3) . ?
N4 C56 1.398(4) . ?
C1 C2 1.386(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.387(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.373(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.380(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.381(3) . ?
C6 C11 1.385(3) . ?
C7 H7 0.9500 . ?
C7 C8 1.386(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.359(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.372(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.385(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.384(3) . ?
C12 C17 1.380(3) . ?
C13 H13 0.9500 . ?
C13 C14 1.383(3) . ?
C14 H14 0.9500 . ?
C14 C15 1.363(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.357(5) . ?
C16 H16 0.9500 . ?
C16 C17 1.397(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.392(3) . ?
C18 C23 1.377(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.384(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.368(5) . ?
C21 H21 0.9500 . ?
C21 C22 1.358(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.385(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.385(4) . ?
C25 H25 0.9500 . ?
C25 C26 1.381(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.374(6) . ?
C27 H27 0.9500 . ?
C27 C28 1.358(6) . ?
C28 H28 0.9500 . ?
C29 C30 1.360(4) . ?
C29 C34 1.366(3) . ?
C30 H30 0.9500 . ?
C30 C31 1.388(4) . ?
C31 H31 0.9500 . ?
C31 C32 1.353(5) . ?
C32 H32 0.9500 . ?
C32 C33 1.353(5) . ?
C33 H33 0.9500 . ?
C33 C34 1.390(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.385(3) . ?
C36 H36 0.9500 . ?
C36 C37 1.379(3) . ?
C37 H37 0.9500 . ?
C37 C38 1.377(4) . ?
C38 H38 0.9500 . ?
C38 C39 1.375(4) . ?
C39 H39 0.9500 . ?
C40 C41 1.383(3) . ?
C40 C45 1.390(3) . ?
C41 H41 0.9500 . ?
C41 C42 1.389(4) . ?
C42 H42 0.9500 . ?
C42 C43 1.373(4) . ?
C43 H43 0.9500 . ?
C43 C44 1.376(4) . ?
C44 H44 0.9500 . ?
C44 C45 1.384(3) . ?
C45 H45 0.9500 . ?
C46 C47 1.383(3) . ?
C46 C51 1.376(3) . ?
C47 H47 0.9500 . ?
C47 C48 1.387(4) . ?
C48 H48 0.9500 . ?
C48 C49 1.369(4) . ?
C49 H49 0.9500 . ?
C49 C50 1.367(4) . ?
C50 H50 0.9500 . ?
C50 C51 1.388(3) . ?
C51 H51 0.9500 . ?
C52 C53 1.383(3) . ?
C53 H53 0.9500 . ?
C53 C54 1.384(3) . ?
C54 H54 0.9500 . ?
C54 C55 1.368(4) . ?
C55 H55 0.9500 . ?
C55 C56 1.355(5) . ?
C56 H56 0.9500 . ?
C57 C58 1.386(3) . ?
C57 C62 1.367(3) . ?
C58 H58 0.9500 . ?
C58 C59 1.389(4) . ?
C59 H59 0.9500 . ?
C59 C60 1.374(4) . ?
C60 H60 0.9500 . ?
C60 C61 1.379(4) . ?
C61 H61 0.9500 . ?
C61 C62 1.378(4) . ?
C62 H62 0.9500 . ?
C63 C64 1.381(3) . ?
C63 C68 1.363(3) . ?
C64 H64 0.9500 . ?
C64 C65 1.387(4) . ?
C65 H65 0.9500 . ?
C65 C66 1.365(5) . ?
C66 H66 0.9500 . ?
C66 C67 1.356(5) . ?
C67 H67 0.9500 . ?
C67 C68 1.375(4) . ?
C68 H68 0.9500 . ?
Cl1 C72A 1.683(6) . ?
Cl2 C72A 1.743(7) . ?
C72A H72A 0.9900 . ?
C72A H72B 0.9900 . ?
O1 N5 1.151(5) . ?
O2 N5 1.222(5) . ?
O3 N5 1.164(4) . ?
O4 H4A 0.8400 . ?
O4 C71 1.458(6) . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C70 C71 1.527(6) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
Cl2A C72 1.695(9) . ?
Cl1A C72 1.748(10) . ?
C72 H72C 0.9900 . ?
C72 H72D 0.9900 . ?
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 C1 N1 -46.62(17) . . . . ?
Ag1 P1 C1 C2 130.14(18) . . . . ?
Ag1 P1 C6 C7 -44.0(2) . . . . ?
Ag1 P1 C6 C11 136.55(19) . . . . ?
Ag1 P1 C12 C13 148.97(16) . . . . ?
Ag1 P1 C12 C17 -31.1(2) . . . . ?
Ag1 P2 C18 C19 126.2(2) . . . . ?
Ag1 P2 C18 C23 -51.4(2) . . . . ?
Ag1 P2 C24 N2 -34.1(2) . . . . ?
Ag1 P2 C24 C25 148.2(2) . . . . ?
Ag1 P2 C29 C30 -39.8(2) . . . . ?
Ag1 P2 C29 C34 140.5(2) . . . . ?
Ag1 P3 C35 N3 -50.88(17) . . . . ?
Ag1 P3 C35 C36 125.57(17) . . . . ?
Ag1 P3 C40 C41 -29.6(2) . . . . ?
Ag1 P3 C40 C45 151.81(16) . . . . ?
Ag1 P3 C46 C47 133.5(2) . . . . ?
Ag1 P3 C46 C51 -44.60(19) . . . . ?
Ag1 P4 C52 N4 -45.4(2) . . . . ?
Ag1 P4 C52 C53 133.50(18) . . . . ?
Ag1 P4 C57 C58 140.08(17) . . . . ?
Ag1 P4 C57 C62 -38.2(2) . . . . ?
Ag1 P4 C63 C64 137.3(2) . . . . ?
Ag1 P4 C63 C68 -42.0(2) . . . . ?
P1 C1 C2 C3 -177.09(19) . . . . ?
P1 C6 C7 C8 -179.2(2) . . . . ?
P1 C6 C11 C10 179.5(2) . . . . ?
P1 C12 C13 C14 179.9(2) . . . . ?
P1 C12 C17 C16 -179.3(2) . . . . ?
P2 C18 C19 C20 -177.8(3) . . . . ?
P2 C18 C23 C22 178.01(19) . . . . ?
P2 C24 C25 C26 176.8(3) . . . . ?
P2 C29 C30 C31 -177.3(3) . . . . ?
P2 C29 C34 C33 177.3(3) . . . . ?
P3 C35 C36 C37 -175.85(18) . . . . ?
P3 C40 C41 C42 -178.2(2) . . . . ?
P3 C40 C45 C44 177.86(19) . . . . ?
P3 C46 C47 C48 -178.1(2) . . . . ?
P3 C46 C51 C50 178.51(19) . . . . ?
P4 C52 C53 C54 -178.0(2) . . . . ?
P4 C57 C58 C59 -177.75(19) . . . . ?
P4 C57 C62 C61 177.6(2) . . . . ?
P4 C63 C64 C65 -178.9(3) . . . . ?
P4 C63 C68 C67 179.2(2) . . . . ?
N1 C1 C2 C3 -0.7(4) . . . . ?
N2 C24 C25 C26 -0.7(5) . . . . ?
N3 C35 C36 C37 0.3(3) . . . . ?
N4 C52 C53 C54 0.8(4) . . . . ?
C1 P1 C6 C7 -163.30(18) . . . . ?
C1 P1 C6 C11 17.2(2) . . . . ?
C1 P1 C12 C13 -88.6(2) . . . . ?
C1 P1 C12 C17 91.3(2) . . . . ?
C1 N1 C5 C4 -0.2(4) . . . . ?
C1 C2 C3 C4 0.0(4) . . . . ?
C2 C3 C4 C5 0.5(4) . . . . ?
C3 C4 C5 N1 -0.4(4) . . . . ?
C5 N1 C1 P1 177.59(19) . . . . ?
C5 N1 C1 C2 0.8(3) . . . . ?
C6 P1 C1 N1 77.22(17) . . . . ?
C6 P1 C1 C2 -106.0(2) . . . . ?
C6 P1 C12 C13 17.2(2) . . . . ?
C6 P1 C12 C17 -162.9(2) . . . . ?
C6 C7 C8 C9 -0.2(4) . . . . ?
C7 C6 C11 C10 0.1(4) . . . . ?
C7 C8 C9 C10 -0.1(4) . . . . ?
C8 C9 C10 C11 0.5(5) . . . . ?
C9 C10 C11 C6 -0.4(4) . . . . ?
C11 C6 C7 C8 0.3(4) . . . . ?
C12 P1 C1 N1 -176.61(16) . . . . ?
C12 P1 C1 C2 0.2(2) . . . . ?
C12 P1 C6 C7 90.74(19) . . . . ?
C12 P1 C6 C11 -88.7(2) . . . . ?
C12 C13 C14 C15 0.0(4) . . . . ?
C13 C12 C17 C16 0.6(4) . . . . ?
C13 C14 C15 C16 -0.5(5) . . . . ?
C14 C15 C16 C17 1.1(5) . . . . ?
C15 C16 C17 C12 -1.1(5) . . . . ?
C17 C12 C13 C14 0.0(4) . . . . ?
C18 P2 C24 N2 91.47(19) . . . . ?
C18 P2 C24 C25 -86.2(3) . . . . ?
C18 P2 C29 C30 -171.5(2) . . . . ?
C18 P2 C29 C34 8.8(3) . . . . ?
C18 C19 C20 C21 -0.9(5) . . . . ?
C19 C18 C23 C22 0.3(4) . . . . ?
C19 C20 C21 C22 1.9(6) . . . . ?
C20 C21 C22 C23 -1.7(5) . . . . ?
C21 C22 C23 C18 0.7(4) . . . . ?
C23 C18 C19 C20 -0.1(4) . . . . ?
C24 P2 C18 C19 4.7(2) . . . . ?
C24 P2 C18 C23 -172.91(18) . . . . ?
C24 P2 C29 C30 83.2(2) . . . . ?
C24 P2 C29 C34 -96.4(3) . . . . ?
C24 N2 C28 C27 -0.9(6) . . . . ?
C24 C25 C26 C27 1.0(7) . . . . ?
C25 C26 C27 C28 -1.3(8) . . . . ?
C26 C27 C28 N2 1.3(7) . . . . ?
C28 N2 C24 P2 -177.1(2) . . . . ?
C28 N2 C24 C25 0.6(4) . . . . ?
C29 P2 C18 C19 -101.0(2) . . . . ?
C29 P2 C18 C23 81.39(19) . . . . ?
C29 P2 C24 N2 -162.40(19) . . . . ?
C29 P2 C24 C25 19.9(3) . . . . ?
C29 C30 C31 C32 0.6(5) . . . . ?
C30 C29 C34 C33 -2.4(5) . . . . ?
C30 C31 C32 C33 -3.3(6) . . . . ?
C31 C32 C33 C34 3.3(6) . . . . ?
C32 C33 C34 C29 -0.4(6) . . . . ?
C34 C29 C30 C31 2.3(5) . . . . ?
C35 P3 C40 C41 94.24(19) . . . . ?
C35 P3 C40 C45 -84.3(2) . . . . ?
C35 P3 C46 C47 14.2(2) . . . . ?
C35 P3 C46 C51 -163.90(18) . . . . ?
C35 N3 C39 C38 -0.7(4) . . . . ?
C35 C36 C37 C38 -0.1(4) . . . . ?
C36 C37 C38 C39 -0.4(4) . . . . ?
C37 C38 C39 N3 0.9(4) . . . . ?
C39 N3 C35 P3 176.65(19) . . . . ?
C39 N3 C35 C36 0.1(3) . . . . ?
C40 P3 C35 N3 177.99(16) . . . . ?
C40 P3 C35 C36 -5.6(2) . . . . ?
C40 P3 C46 C47 -92.0(2) . . . . ?
C40 P3 C46 C51 89.96(19) . . . . ?
C40 C41 C42 C43 0.3(4) . . . . ?
C41 C40 C45 C44 -0.7(4) . . . . ?
C41 C42 C43 C44 -0.6(4) . . . . ?
C42 C43 C44 C45 0.3(4) . . . . ?
C43 C44 C45 C40 0.3(4) . . . . ?
C45 C40 C41 C42 0.4(4) . . . . ?
C46 P3 C35 N3 71.38(17) . . . . ?
C46 P3 C35 C36 -112.17(19) . . . . ?
C46 P3 C40 C41 -160.02(18) . . . . ?
C46 P3 C40 C45 21.4(2) . . . . ?
C46 C47 C48 C49 -0.3(5) . . . . ?
C47 C46 C51 C50 0.3(4) . . . . ?
C47 C48 C49 C50 0.4(5) . . . . ?
C48 C49 C50 C51 -0.2(5) . . . . ?
C49 C50 C51 C46 -0.2(4) . . . . ?
C51 C46 C47 C48 -0.1(4) . . . . ?
C52 P4 C57 C58 12.0(2) . . . . ?
C52 P4 C57 C62 -166.21(18) . . . . ?
C52 P4 C63 C64 -95.9(2) . . . . ?
C52 P4 C63 C68 84.83(19) . . . . ?
C52 N4 C56 C55 0.7(5) . . . . ?
C52 C53 C54 C55 -0.5(4) . . . . ?
C53 C54 C55 C56 0.3(5) . . . . ?
C54 C55 C56 N4 -0.4(5) . . . . ?
C56 N4 C52 P4 178.0(2) . . . . ?
C56 N4 C52 C53 -0.9(4) . . . . ?
C57 P4 C52 N4 81.8(2) . . . . ?
C57 P4 C52 C53 -99.3(2) . . . . ?
C57 P4 C63 C64 11.3(2) . . . . ?
C57 P4 C63 C68 -167.93(18) . . . . ?
C57 C58 C59 C60 0.5(4) . . . . ?
C58 C57 C62 C61 -0.7(4) . . . . ?
C58 C59 C60 C61 -1.0(4) . . . . ?
C59 C60 C61 C62 0.7(4) . . . . ?
C60 C61 C62 C57 0.2(4) . . . . ?
C62 C57 C58 C59 0.4(4) . . . . ?
C63 P4 C52 N4 -170.6(2) . . . . ?
C63 P4 C52 C53 8.3(2) . . . . ?
C63 P4 C57 C58 -94.8(2) . . . . ?
C63 P4 C57 C62 86.98(19) . . . . ?
C63 C64 C65 C66 -1.2(5) . . . . ?
C64 C63 C68 C67 -0.1(4) . . . . ?
C64 C65 C66 C67 1.7(6) . . . . ?
C65 C66 C67 C68 -1.4(5) . . . . ?
C66 C67 C68 C63 0.6(4) . . . . ?
C68 C63 C64 C65 0.3(4) . . . . ?
