#------------------------------------------------------------------------------
#$Date: 2025-10-06 12:04:23 +0200 (Mon 06 de Oct de 2025) $
#$Revision: 302709 $
#$URL: svn://www.crystallography.net/cod/cif/1/57/48/1574899.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_1574899
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 Ag4 N8 O12 P4, 2(C H2 Cl2)'
_chemical_formula_sum            'C70 H60 Ag4 Cl4 N8 O12 P4'
_chemical_formula_weight         1902.42
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2023-09-18
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2024-12-26 deposited with the CCDC.	2025-06-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.943(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.1045(3)
_cell_length_b                   23.0824(6)
_cell_length_c                   13.4651(4)
_cell_measurement_reflns_used    16398
_cell_measurement_temperature    170.01(10)
_cell_measurement_theta_max      30.5740
_cell_measurement_theta_min      1.7460
_cell_volume                     3705.65(18)
_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 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.847
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      7.00  33.00   0.50    0.50    --  -10.80  45.00 162.76   52
  2  ω   -100.00   1.00   0.50    0.50    --  -10.80  45.00  45.59  202
  3  ω      5.00  69.00   0.50    0.50    --  -10.80  45.00   0.00  128
  4  ω    -97.00 -14.00   0.50    0.50    --  -10.80  45.00 162.76  166
;
_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      0.0536106000
_diffrn_orient_matrix_UB_12      0.0110282000
_diffrn_orient_matrix_UB_13      -0.0047208000
_diffrn_orient_matrix_UB_21      0.0036374000
_diffrn_orient_matrix_UB_22      0.0141426000
_diffrn_orient_matrix_UB_23      0.0471991000
_diffrn_orient_matrix_UB_31      0.0256626000
_diffrn_orient_matrix_UB_32      -0.0249448000
_diffrn_orient_matrix_UB_33      0.0246224000
_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  0.0260
_diffrn_reflns_av_unetI/netI     0.0314
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.847
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            29822
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.847
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.052
_diffrn_reflns_theta_min         1.764
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.337
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88709
_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            'clear colourless'
_exptl_crystal_density_diffrn    1.705
_exptl_crystal_description       block
_exptl_crystal_F_000             1896
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.562
_refine_diff_density_min         -0.784
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         10058
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0382
_refine_ls_R_factor_gt           0.0291
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0304P)²+1.5302P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0685
_refine_ls_wR_factor_ref         0.0716
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8373
_reflns_number_total             10058
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5nr01269d2.cif
_cod_data_source_block           mx10988
_cod_depositor_comments
'Adding full bibliography for 1574898--1574913.cif.'
_cod_database_code               1574899
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         AgCHClNOP
_chemical_oxdiff_usercomment     'C H O N F'
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C35(H35A,H35B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), 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), C29(H29),
 C31(H31), C32(H32), C33(H33), C34(H34)
;
_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 1.247
_oxdiff_exptl_absorpt_empirical_full_min 0.888
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'
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 0.63801(2) 0.35550(2) 0.59474(2) 0.02812(5) Uani 1 1 d . . . . .
Ag2 Ag 0.46197(2) 0.44142(2) 0.62485(2) 0.02621(5) Uani 1 1 d . . . . .
P1 P 0.70082(4) 0.39383(2) 0.75751(4) 0.02130(11) Uani 1 1 d . . . . .
P2 P 0.34906(4) 0.36227(2) 0.55583(4) 0.02084(10) Uani 1 1 d . . . . .
O1 O 0.73658(14) 0.40758(7) 0.46790(16) 0.0452(5) Uani 1 1 d . . . . .
O2 O 0.69806(16) 0.47635(8) 0.35904(14) 0.0468(5) Uani 1 1 d . . . . .
O3 O 0.60330(13) 0.46883(7) 0.47987(12) 0.0341(4) Uani 1 1 d . . . . .
O4 O 0.77321(15) 0.28136(7) 0.54794(13) 0.0373(4) Uani 1 1 d . . . . .
O5 O 0.76606(15) 0.18788(7) 0.54705(13) 0.0386(4) Uani 1 1 d . . . . .
O6 O 0.64554(14) 0.23747(8) 0.61286(13) 0.0410(4) Uani 1 1 d . . . . .
N1 N 0.58691(15) 0.49381(7) 0.73029(13) 0.0240(4) Uani 1 1 d . . . . .
N2 N 0.51182(14) 0.32912(7) 0.45519(12) 0.0224(3) Uani 1 1 d . . . . .
N3 N 0.67979(15) 0.45062(8) 0.43599(14) 0.0291(4) Uani 1 1 d . . . . .
N4 N 0.72816(16) 0.23495(8) 0.56896(13) 0.0280(4) Uani 1 1 d . . . . .
C1 C 0.84864(17) 0.38134(8) 0.80472(15) 0.0231(4) Uani 1 1 d . . . . .
C2 C 0.92277(19) 0.38730(10) 0.73713(17) 0.0308(5) Uani 1 1 d . . . . .
H2 H 0.895071 0.395617 0.668228 0.037 Uiso 1 1 calc R U . . .
C3 C 1.0365(2) 0.38114(11) 0.77019(19) 0.0374(5) Uani 1 1 d . . . . .
H3 H 1.087101 0.386257 0.724240 0.045 Uiso 1 1 calc R U . . .
C4 C 1.0776(2) 0.36748(10) 0.87024(19) 0.0359(5) Uani 1 1 d . . . . .
H4 H 1.156030 0.363238 0.892658 0.043 Uiso 1 1 calc R U . . .
C5 C 1.0042(2) 0.36013(9) 0.93677(18) 0.0322(5) Uani 1 1 d . . . . .
H5 H 1.031957 0.350017 1.004896 0.039 Uiso 1 1 calc R U . . .
C6 C 0.88999(19) 0.36743(9) 0.90477(16) 0.0274(4) Uani 1 1 d . . . . .
H6 H 0.839812 0.362933 0.951237 0.033 Uiso 1 1 calc R U . . .
C7 C 0.63006(18) 0.36598(10) 0.85528(17) 0.0293(5) Uani 1 1 d . . . . .
C8 C 0.5979(2) 0.30824(11) 0.8481(2) 0.0415(6) Uani 1 1 d . . . . .
H8 H 0.609890 0.285736 0.791840 0.050 Uiso 1 1 calc R U . . .
C9 C 0.5483(2) 0.28346(15) 0.9231(3) 0.0622(10) Uani 1 1 d . . . . .
H9 H 0.527815 0.243690 0.918957 0.075 Uiso 1 1 calc R U . . .
C10 C 0.5284(3) 0.31610(19) 1.0036(3) 0.0737(12) Uani 1 1 d . . . . .
H10 H 0.493871 0.299004 1.054617 0.088 Uiso 1 1 calc R U . . .
C11 C 0.5588(3) 0.37357(19) 1.0100(3) 0.0731(11) Uani 1 1 d . . . . .
H11 H 0.544345 0.396191 1.065292 0.088 Uiso 1 1 calc R U . . .
C12 C 0.6101(2) 0.39867(13) 0.9366(2) 0.0484(7) Uani 1 1 d . . . . .
H12 H 0.631567 0.438283 0.941893 0.058 Uiso 1 1 calc R U . . .
C13 C 0.68719(17) 0.47214(8) 0.77271(14) 0.0217(4) Uani 1 1 d . . . . .
C14 C 0.76942(19) 0.50611(9) 0.82797(17) 0.0305(5) Uani 1 1 d . . . . .
H14 H 0.840488 0.489962 0.854874 0.037 Uiso 1 1 calc R U . . .
C15 C 0.7475(2) 0.56404(10) 0.84392(19) 0.0358(5) Uani 1 1 d . . . . .
H15 H 0.802883 0.588185 0.881792 0.043 Uiso 1 1 calc R U . . .
C16 C 0.6438(2) 0.58562(9) 0.80371(17) 0.0323(5) Uani 1 1 d . . . . .
H16 H 0.625661 0.624868 0.814776 0.039 Uiso 1 1 calc R U . . .
C17 C 0.5663(2) 0.54981(9) 0.74709(17) 0.0307(5) Uani 1 1 d . . . . .
H17 H 0.495201 0.565401 0.718714 0.037 Uiso 1 1 calc R U . . .
C18 C 0.33545(17) 0.30130(9) 0.63842(15) 0.0238(4) Uani 1 1 d . . . . .
C19 C 0.3505(3) 0.24452(10) 0.61119(19) 0.0427(6) Uani 1 1 d . . . . .
H19 H 0.369085 0.236090 0.547023 0.051 Uiso 1 1 calc R U . . .
C20 C 0.3384(3) 0.19981(11) 0.6772(2) 0.0528(8) Uani 1 1 d . . . . .
H20 H 0.349006 0.160882 0.657932 0.063 Uiso 1 1 calc R U . . .
C21 C 0.3113(2) 0.21129(11) 0.77049(19) 0.0389(6) Uani 1 1 d . . . . .
H21 H 0.302067 0.180454 0.815052 0.047 Uiso 1 1 calc R U . . .
C22 C 0.2979(2) 0.26750(11) 0.79841(18) 0.0356(5) Uani 1 1 d . . . . .
H22 H 0.279383 0.275717 0.862718 0.043 Uiso 1 1 calc R U . . .
C23 C 0.31103(19) 0.31255(10) 0.73325(16) 0.0294(5) Uani 1 1 d . . . . .
H23 H 0.303232 0.351474 0.753916 0.035 Uiso 1 1 calc R U . . .
C24 C 0.20640(17) 0.38351(9) 0.50288(15) 0.0238(4) Uani 1 1 d . . . . .
C25 C 0.11236(18) 0.35507(9) 0.52414(16) 0.0269(4) Uani 1 1 d . . . . .
H25 H 0.120762 0.321792 0.566283 0.032 Uiso 1 1 calc R U . . .
C26 C 0.00573(19) 0.37518(11) 0.48385(17) 0.0328(5) Uani 1 1 d . . . . .
H26 H -0.058427 0.355660 0.499010 0.039 Uiso 1 1 calc R U . . .
C27 C -0.0075(2) 0.42298(11) 0.42239(19) 0.0383(5) Uani 1 1 d . . . . .
H27 H -0.080556 0.436610 0.395221 0.046 Uiso 1 1 calc R U . . .
C28 C 0.0867(2) 0.45139(11) 0.4001(2) 0.0424(6) Uani 1 1 d . . . . .
H28 H 0.077831 0.484224 0.356870 0.051 Uiso 1 1 calc R U . . .
C29 C 0.1926(2) 0.43208(10) 0.44038(19) 0.0354(5) Uani 1 1 d . . . . .
H29 H 0.256596 0.451935 0.425534 0.042 Uiso 1 1 calc R U . . .
C30 C 0.39994(17) 0.32797(8) 0.44986(14) 0.0212(4) Uani 1 1 d . . . . .
C31 C 0.32919(19) 0.30054(9) 0.37198(16) 0.0288(5) Uani 1 1 d . . . . .
H31 H 0.250252 0.301084 0.369287 0.035 Uiso 1 1 calc R U . . .
C32 C 0.3756(2) 0.27234(10) 0.29819(16) 0.0331(5) Uani 1 1 d . . . . .
H32 H 0.329238 0.251891 0.245566 0.040 Uiso 1 1 calc R U . . .
C33 C 0.4895(2) 0.27439(10) 0.30231(16) 0.0321(5) Uani 1 1 d . . . . .
H33 H 0.522997 0.256332 0.251506 0.038 Uiso 1 1 calc R U . . .
C34 C 0.55473(19) 0.30313(10) 0.38145(16) 0.0302(5) Uani 1 1 d . . . . .
H34 H 0.633557 0.304512 0.383656 0.036 Uiso 1 1 calc R U . . .
Cl1 Cl 0.89273(9) 0.47156(4) 0.09844(7) 0.0726(2) Uani 1 1 d . . . . .
Cl2 Cl 0.68257(9) 0.52916(4) 0.11620(8) 0.0775(3) Uani 1 1 d . . . . .
C35 C 0.7943(4) 0.48681(19) 0.1741(3) 0.0815(12) Uani 1 1 d . . . . .
H35A H 0.832168 0.507056 0.235419 0.098 Uiso 1 1 calc R U . . .
H35B H 0.764413 0.449826 0.195602 0.098 Uiso 1 1 calc R U . . .
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 Ag2 75.446(14) . . ?
P1 Ag1 O1 109.39(5) . . ?
P1 Ag1 O4 111.52(4) . . ?
O1 Ag1 Ag2 101.84(4) . . ?
O4 Ag1 Ag2 173.01(4) . . ?
O4 Ag1 O1 75.72(5) . . ?
N2 Ag1 Ag2 84.12(4) . . ?
N2 Ag1 P1 157.29(4) . . ?
N2 Ag1 O1 84.18(6) . . ?
N2 Ag1 O4 89.09(6) . . ?
P2 Ag2 Ag1 79.159(14) . . ?
P2 Ag2 O3 107.82(4) . 3_666 ?
O3 Ag2 Ag1 128.55(3) 3_666 . ?
N1 Ag2 Ag1 91.44(4) . . ?
N1 Ag2 P2 160.65(5) . . ?
N1 Ag2 O3 91.30(6) . 3_666 ?
C1 P1 Ag1 113.89(7) . . ?
C1 P1 C13 102.71(9) . . ?
C7 P1 Ag1 115.15(8) . . ?
C7 P1 C1 104.52(10) . . ?
C7 P1 C13 101.92(10) . . ?
C13 P1 Ag1 116.91(6) . . ?
C18 P2 Ag2 117.59(7) . . ?
C18 P2 C30 102.73(9) . . ?
C24 P2 Ag2 112.94(7) . . ?
C24 P2 C18 105.56(9) . . ?
C24 P2 C30 103.64(9) . . ?
C30 P2 Ag2 112.96(7) . . ?
N3 O1 Ag1 108.31(13) . . ?
N3 O3 Ag2 101.24(12) . 3_666 ?
N4 O4 Ag1 101.34(13) . . ?
C13 N1 Ag2 121.93(13) . . ?
C17 N1 Ag2 120.09(14) . . ?
C17 N1 C13 117.81(18) . . ?
C30 N2 Ag1 124.91(13) . . ?
C34 N2 Ag1 116.00(14) . . ?
C34 N2 C30 117.89(18) . . ?
O1 N3 O2 120.11(19) . . ?
O1 N3 O3 120.99(19) . . ?
O2 N3 O3 118.91(18) . . ?
O5 N4 O4 120.18(19) . . ?
O5 N4 O6 121.03(19) . . ?
O6 N4 O4 118.79(18) . . ?
C2 C1 P1 117.60(16) . . ?
C2 C1 C6 119.4(2) . . ?
C6 C1 P1 122.94(16) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 C1 120.0(2) . . ?
C3 C2 H2 120.0 . . ?
C2 C3 H3 119.8 . . ?
C2 C3 C4 120.4(2) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 120.2 . . ?
C5 C4 C3 119.7(2) . . ?
C5 C4 H4 120.2 . . ?
C4 C5 H5 119.9 . . ?
C4 C5 C6 120.3(2) . . ?
C6 C5 H5 119.9 . . ?
C1 C6 H6 119.9 . . ?
C5 C6 C1 120.1(2) . . ?
C5 C6 H6 119.9 . . ?
C8 C7 P1 116.96(19) . . ?
C12 C7 P1 123.45(19) . . ?
C12 C7 C8 119.6(2) . . ?
C7 C8 H8 120.1 . . ?
C9 C8 C7 119.8(3) . . ?
C9 C8 H8 120.1 . . ?
C8 C9 H9 119.8 . . ?
C10 C9 C8 120.4(3) . . ?
C10 C9 H9 119.8 . . ?
C9 C10 H10 120.1 . . ?
C9 C10 C11 119.8(3) . . ?
C11 C10 H10 120.1 . . ?
C10 C11 H11 119.8 . . ?
C10 C11 C12 120.5(3) . . ?
C12 C11 H11 119.8 . . ?
C7 C12 H12 120.1 . . ?
C11 C12 C7 119.9(3) . . ?
C11 C12 H12 120.1 . . ?
N1 C13 P1 114.32(14) . . ?
N1 C13 C14 122.12(19) . . ?
C14 C13 P1 123.44(16) . . ?
C13 C14 H14 120.3 . . ?
C13 C14 C15 119.4(2) . . ?
C15 C14 H14 120.3 . . ?
C14 C15 H15 120.8 . . ?
C16 C15 C14 118.4(2) . . ?
C16 C15 H15 120.8 . . ?
C15 C16 H16 120.3 . . ?
C15 C16 C17 119.3(2) . . ?
C17 C16 H16 120.3 . . ?
N1 C17 C16 122.8(2) . . ?
N1 C17 H17 118.6 . . ?
C16 C17 H17 118.6 . . ?
C19 C18 P2 122.81(17) . . ?
C19 C18 C23 118.8(2) . . ?
C23 C18 P2 118.38(16) . . ?
C18 C19 H19 119.9 . . ?
C18 C19 C20 120.2(2) . . ?
C20 C19 H19 119.9 . . ?
C19 C20 H20 119.7 . . ?
C21 C20 C19 120.6(2) . . ?
C21 C20 H20 119.7 . . ?
C20 C21 H21 120.3 . . ?
C22 C21 C20 119.4(2) . . ?
C22 C21 H21 120.3 . . ?
C21 C22 H22 119.8 . . ?
C21 C22 C23 120.3(2) . . ?
C23 C22 H22 119.8 . . ?
C18 C23 C22 120.6(2) . . ?
C18 C23 H23 119.7 . . ?
C22 C23 H23 119.7 . . ?
C25 C24 P2 123.34(16) . . ?
C25 C24 C29 119.26(19) . . ?
C29 C24 P2 117.37(16) . . ?
C24 C25 H25 120.0 . . ?
C24 C25 C26 120.1(2) . . ?
C26 C25 H25 120.0 . . ?
C25 C26 H26 119.7 . . ?
C27 C26 C25 120.5(2) . . ?
C27 C26 H26 119.7 . . ?
C26 C27 H27 120.2 . . ?
C26 C27 C28 119.6(2) . . ?
C28 C27 H27 120.2 . . ?
C27 C28 H28 119.9 . . ?
C29 C28 C27 120.3(2) . . ?
C29 C28 H28 119.9 . . ?
C24 C29 H29 119.9 . . ?
C28 C29 C24 120.3(2) . . ?
C28 C29 H29 119.9 . . ?
N2 C30 P2 114.94(14) . . ?
N2 C30 C31 122.30(19) . . ?
C31 C30 P2 122.70(16) . . ?
C30 C31 H31 120.6 . . ?
C32 C31 C30 118.9(2) . . ?
C32 C31 H31 120.6 . . ?
C31 C32 H32 120.5 . . ?
C33 C32 C31 119.0(2) . . ?
C33 C32 H32 120.5 . . ?
C32 C33 H33 120.5 . . ?
C32 C33 C34 119.0(2) . . ?
C34 C33 H33 120.5 . . ?
N2 C34 C33 122.9(2) . . ?
N2 C34 H34 118.5 . . ?
C33 C34 H34 118.5 . . ?
Cl1 C35 Cl2 114.3(2) . . ?
Cl1 C35 H35A 108.7 . . ?
Cl1 C35 H35B 108.7 . . ?
Cl2 C35 H35A 108.7 . . ?
Cl2 C35 H35B 108.7 . . ?
H35A C35 H35B 107.6 . . ?
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 Ag2 2.9893(2) . ?
Ag1 P1 2.3640(5) . ?
Ag1 O1 2.5476(18) . ?
Ag1 O4 2.5220(17) . ?
Ag1 N2 2.2899(17) . ?
Ag2 P2 2.3729(5) . ?
Ag2 O3 2.5534(15) 3_666 ?
Ag2 N1 2.2414(17) . ?
P1 C1 1.815(2) . ?
P1 C7 1.808(2) . ?
P1 C13 1.830(2) . ?
P2 C18 1.819(2) . ?
P2 C24 1.818(2) . ?
P2 C30 1.829(2) . ?
O1 N3 1.242(2) . ?
O2 N3 1.247(2) . ?
O3 N3 1.254(2) . ?
O4 N4 1.256(2) . ?
O5 N4 1.235(2) . ?
O6 N4 1.248(2) . ?
N1 C13 1.346(3) . ?
N1 C17 1.343(3) . ?
N2 C30 1.344(3) . ?
N2 C34 1.339(3) . ?
C1 C2 1.391(3) . ?
C1 C6 1.391(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.379(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.389(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.377(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.385(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.387(3) . ?
C7 C12 1.385(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.385(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.374(6) . ?
C10 H10 0.9500 . ?
C10 C11 1.375(6) . ?
C11 H11 0.9500 . ?
C11 C12 1.382(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.380(3) . ?
C14 H14 0.9500 . ?
C14 C15 1.387(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.371(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.378(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.381(3) . ?
C18 C23 1.384(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.386(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.378(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.368(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.387(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.386(3) . ?
C24 C29 1.395(3) . ?
C25 H25 0.9500 . ?
C25 C26 1.391(3) . ?
C26 H26 0.9500 . ?
C26 C27 1.372(4) . ?
C27 H27 0.9500 . ?
C27 C28 1.393(4) . ?
C28 H28 0.9500 . ?
C28 C29 1.378(3) . ?
C29 H29 0.9500 . ?
C30 C31 1.387(3) . ?
C31 H31 0.9500 . ?
C31 C32 1.385(3) . ?
C32 H32 0.9500 . ?
C32 C33 1.370(3) . ?
C33 H33 0.9500 . ?
C33 C34 1.382(3) . ?
C34 H34 0.9500 . ?
Cl1 C35 1.732(4) . ?
Cl2 C35 1.740(4) . ?
C35 H35A 0.9900 . ?
C35 H35B 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 C2 40.43(18) . . . . ?
Ag1 P1 C1 C6 -140.90(16) . . . . ?
Ag1 P1 C7 C8 35.3(2) . . . . ?
Ag1 P1 C7 C12 -146.6(2) . . . . ?
Ag1 P1 C13 N1 46.14(17) . . . . ?
Ag1 P1 C13 C14 -137.65(17) . . . . ?
Ag1 O1 N3 O2 -165.53(17) . . . . ?
Ag1 O1 N3 O3 14.2(2) . . . . ?
Ag1 O4 N4 O5 173.35(15) . . . . ?
Ag1 O4 N4 O6 -7.3(2) . . . . ?
Ag1 N2 C30 P2 11.0(2) . . . . ?
Ag1 N2 C30 C31 -166.25(15) . . . . ?
Ag1 N2 C34 C33 166.59(17) . . . . ?
Ag2 P2 C18 C19 -131.16(19) . . . . ?
Ag2 P2 C18 C23 47.61(19) . . . . ?
Ag2 P2 C24 C25 -131.28(16) . . . . ?
Ag2 P2 C24 C29 46.67(19) . . . . ?
Ag2 P2 C30 N2 32.07(16) . . . . ?
Ag2 P2 C30 C31 -150.67(15) . . . . ?
Ag2 O3 N3 O1 177.13(17) 3_666 . . . ?
Ag2 O3 N3 O2 -3.1(2) 3_666 . . . ?
Ag2 N1 C13 P1 -11.6(2) . . . . ?
Ag2 N1 C13 C14 172.18(16) . . . . ?
Ag2 N1 C17 C16 -173.99(18) . . . . ?
P1 C1 C2 C3 176.78(18) . . . . ?
P1 C1 C6 C5 -178.06(16) . . . . ?
P1 C7 C8 C9 176.9(2) . . . . ?
P1 C7 C12 C11 -177.8(2) . . . . ?
P1 C13 C14 C15 -173.50(18) . . . . ?
P2 C18 C19 C20 -179.7(2) . . . . ?
P2 C18 C23 C22 178.86(18) . . . . ?
P2 C24 C25 C26 177.52(16) . . . . ?
P2 C24 C29 C28 -178.2(2) . . . . ?
P2 C30 C31 C32 -175.73(16) . . . . ?
N1 C13 C14 C15 2.4(3) . . . . ?
N2 C30 C31 C32 1.3(3) . . . . ?
C1 P1 C7 C8 -90.40(19) . . . . ?
C1 P1 C7 C12 87.7(2) . . . . ?
C1 P1 C13 N1 171.60(15) . . . . ?
C1 P1 C13 C14 -12.2(2) . . . . ?
C1 C2 C3 C4 1.7(4) . . . . ?
C2 C1 C6 C5 0.6(3) . . . . ?
C2 C3 C4 C5 -0.1(4) . . . . ?
C3 C4 C5 C6 -1.3(3) . . . . ?
C4 C5 C6 C1 1.0(3) . . . . ?
C6 C1 C2 C3 -1.9(3) . . . . ?
C7 P1 C1 C2 166.94(17) . . . . ?
C7 P1 C1 C6 -14.4(2) . . . . ?
C7 P1 C13 N1 -80.31(16) . . . . ?
C7 P1 C13 C14 95.9(2) . . . . ?
C7 C8 C9 C10 1.4(4) . . . . ?
C8 C7 C12 C11 0.3(4) . . . . ?
C8 C9 C10 C11 -0.5(5) . . . . ?
C9 C10 C11 C12 -0.6(5) . . . . ?
C10 C11 C12 C7 0.7(5) . . . . ?
C12 C7 C8 C9 -1.3(4) . . . . ?
C13 P1 C1 C2 -86.97(17) . . . . ?
C13 P1 C1 C6 91.70(18) . . . . ?
C13 P1 C7 C8 162.92(17) . . . . ?
C13 P1 C7 C12 -19.0(2) . . . . ?
C13 N1 C17 C16 1.3(3) . . . . ?
C13 C14 C15 C16 0.0(4) . . . . ?
C14 C15 C16 C17 -1.6(4) . . . . ?
C15 C16 C17 N1 1.0(4) . . . . ?
C17 N1 C13 P1 173.25(16) . . . . ?
C17 N1 C13 C14 -3.0(3) . . . . ?
C18 P2 C24 C25 -1.5(2) . . . . ?
C18 P2 C24 C29 176.45(18) . . . . ?
C18 P2 C30 N2 -95.62(15) . . . . ?
C18 P2 C30 C31 81.65(18) . . . . ?
C18 C19 C20 C21 0.1(5) . . . . ?
C19 C18 C23 C22 -2.3(3) . . . . ?
C19 C20 C21 C22 -1.0(5) . . . . ?
C20 C21 C22 C23 0.2(4) . . . . ?
C21 C22 C23 C18 1.5(4) . . . . ?
C23 C18 C19 C20 1.5(4) . . . . ?
C24 P2 C18 C19 101.8(2) . . . . ?
C24 P2 C18 C23 -79.39(18) . . . . ?
C24 P2 C30 N2 154.64(15) . . . . ?
C24 P2 C30 C31 -28.10(19) . . . . ?
C24 C25 C26 C27 0.4(3) . . . . ?
C25 C24 C29 C28 -0.2(4) . . . . ?
C25 C26 C27 C28 0.2(4) . . . . ?
C26 C27 C28 C29 -0.8(4) . . . . ?
C27 C28 C29 C24 0.8(4) . . . . ?
C29 C24 C25 C26 -0.4(3) . . . . ?
C30 P2 C18 C19 -6.5(2) . . . . ?
C30 P2 C18 C23 172.32(17) . . . . ?
C30 P2 C24 C25 106.13(18) . . . . ?
C30 P2 C24 C29 -75.91(19) . . . . ?
C30 N2 C34 C33 -1.5(3) . . . . ?
C30 C31 C32 C33 -2.6(3) . . . . ?
C31 C32 C33 C34 1.8(3) . . . . ?
C32 C33 C34 N2 0.3(3) . . . . ?
C34 N2 C30 P2 177.97(15) . . . . ?
C34 N2 C30 C31 0.7(3) . . . . ?
