#------------------------------------------------------------------------------
#$Date: 2025-10-06 12:04:23 +0200 (Mon 06 de Oct de 2025) $
#$Revision: 302709 $
#$URL: svn://www.crystallography.net/cod/cif/1/57/49/1574906.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_1574906
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         'C34 H28 Ag2 N4 O6 P2, C H2 Cl2'
_chemical_formula_sum            'C35 H30 Ag2 Cl2 N4 O6 P2'
_chemical_formula_weight         951.21
_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             2025-05-08
_audit_creation_method
;
Olex2 1.5
(compiled 2025.04.05 svn.rf049d14d for OlexSys, GUI svn.r7224)
;
_audit_update_record
;
2025-05-14 deposited with the CCDC.	2025-06-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.908(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.1131(3)
_cell_length_b                   23.0872(6)
_cell_length_c                   13.4732(4)
_cell_measurement_reflns_used    15816
_cell_measurement_temperature    170.00(10)
_cell_measurement_theta_max      29.9910
_cell_measurement_theta_min      1.7390
_cell_volume                     3711.69(17)
_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 1.000
_diffrn_measured_fraction_theta_max 0.833
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     46.00  80.00   0.50    2.11    --   -9.30  45.00  60.00   68
  2  ω    -76.00 -22.00   0.50    2.11    --   -9.30  45.00   0.00  108
  3  ω     18.00  80.00   0.50    2.11    --   -9.30  45.00   0.00  124
  4  ω    -98.00  34.00   0.50    2.11    --   -9.30  45.00  60.00  264
;
_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      0.0427590000
_diffrn_orient_matrix_UB_12      -0.0159769000
_diffrn_orient_matrix_UB_13      -0.0176449000
_diffrn_orient_matrix_UB_21      -0.0384758000
_diffrn_orient_matrix_UB_22      -0.0080930000
_diffrn_orient_matrix_UB_23      -0.0436469000
_diffrn_orient_matrix_UB_31      0.0151254000
_diffrn_orient_matrix_UB_32      0.0249354000
_diffrn_orient_matrix_UB_33      -0.0252821000
_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  0.0310
_diffrn_reflns_av_unetI/netI     0.0341
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.833
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            29008
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.833
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.342
_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    1.335
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.67338
_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            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.702
_exptl_crystal_description       block
_exptl_crystal_F_000             1896
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.686
_refine_diff_density_min         -0.838
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         9289
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0324
_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)+(0.0416P)²+2.0254P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0816
_refine_ls_wR_factor_ref         0.0860
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7547
_reflns_number_total             9289
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5nr01269d2.cif
_cod_data_source_block           mx15331
_cod_depositor_comments
'Adding full bibliography for 1574898--1574913.cif.'
_cod_database_code               1574906
_shelx_shelxl_version_number     2019/3
_chemical_oxdiff_formula         AgNOCuCHP
_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
;
010d0a9f02cc9fefcc546083ce71fd570200027275c
;
_diffrn_oxdiff_ac3_digest_hkl
;
010c520fe00404ff249dc2d435f7114677f4ec
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Others
 Sof(Ag1A)=1-FVAR(1)
 Sof(Ag1)=FVAR(1)
3.a Secondary CH2 refined with riding coordinates:
 C35(H35A,H35B)
3.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C7(H7), C8(H8), C9(H9), C10(H10), C11(H11),
 C13(H13), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20),
  C21(H21), C24(H24), C25(H25), C26(H26), C27(H27), C28(H28), C30(H30),
 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 1.961
_oxdiff_exptl_absorpt_empirical_full_min 0.599
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 0.46203(19) 0.44168(5) 0.62406(8) 0.0277(2) Uani 0.883(12) 1 d . . P A 1
Ag2 Ag 0.64010(2) 0.35555(2) 0.59481(2) 0.03324(7) Uani 1 1 d . . . . .
P1 P 0.35135(5) 0.36240(3) 0.55595(5) 0.02439(13) Uani 1 1 d . . . . .
P2 P 0.70201(5) 0.39378(3) 0.75741(5) 0.02520(13) Uani 1 1 d . . . . .
O1 O 0.77484(17) 0.28127(8) 0.54850(16) 0.0410(5) Uani 1 1 d . . . . .
O2 O 0.64723(17) 0.23712(9) 0.61302(16) 0.0448(5) Uani 1 1 d . . . . .
O3 O 0.76759(18) 0.18788(8) 0.54637(15) 0.0428(5) Uani 1 1 d . . . . .
O4 O 0.73714(16) 0.40798(9) 0.46853(18) 0.0494(6) Uani 1 1 d . . . . .
O5 O 0.69862(19) 0.47605(10) 0.35874(17) 0.0526(6) Uani 1 1 d . . . . .
O6 O 0.60245(15) 0.46871(8) 0.47862(14) 0.0367(4) Uani 1 1 d . . . . .
N1 N 0.58840(17) 0.49388(8) 0.72943(15) 0.0278(4) Uani 1 1 d . . . . .
N2 N 0.51398(16) 0.32881(9) 0.45556(15) 0.0257(4) Uani 1 1 d . . . . .
N3 N 0.72980(18) 0.23483(9) 0.56940(15) 0.0301(5) Uani 1 1 d . . . . .
N4 N 0.68006(18) 0.45062(9) 0.43619(17) 0.0337(5) Uani 1 1 d . . . . .
C1 C 0.5676(2) 0.54963(11) 0.7460(2) 0.0360(6) Uani 1 1 d . . . . .
H1 H 0.496936 0.565249 0.716638 0.043 Uiso 1 1 calc R U . . .
C2 C 0.6443(3) 0.58547(11) 0.8038(2) 0.0388(6) Uani 1 1 d . . . . .
H2 H 0.625996 0.624672 0.815039 0.047 Uiso 1 1 calc R U . . .
C3 C 0.7468(3) 0.56363(12) 0.8446(2) 0.0421(7) Uani 1 1 d . . . . .
H3 H 0.801639 0.587718 0.883281 0.051 Uiso 1 1 calc R U . . .
C4 C 0.7701(2) 0.50575(11) 0.8288(2) 0.0363(6) Uani 1 1 d . . . . .
H4 H 0.841095 0.489663 0.855832 0.044 Uiso 1 1 calc R U . . .
C5 C 0.6876(2) 0.47205(10) 0.77278(18) 0.0261(5) Uani 1 1 d . . . . .
C6 C 0.8501(2) 0.38129(10) 0.80471(18) 0.0259(5) Uani 1 1 d . . . . .
C7 C 0.8910(2) 0.36714(11) 0.90424(19) 0.0308(5) Uani 1 1 d . . . . .
H7 H 0.840692 0.362278 0.950500 0.037 Uiso 1 1 calc R U . . .
C8 C 1.0052(2) 0.36008(11) 0.9363(2) 0.0365(6) Uani 1 1 d . . . . .
H8 H 1.033078 0.349825 1.004262 0.044 Uiso 1 1 calc R U . . .
C9 C 1.0788(2) 0.36795(12) 0.8694(2) 0.0392(6) Uani 1 1 d . . . . .
H9 H 1.157172 0.363929 0.891697 0.047 Uiso 1 1 calc R U . . .
C10 C 1.0377(2) 0.38168(13) 0.7701(2) 0.0412(6) Uani 1 1 d . . . . .
H10 H 1.088294 0.387044 0.724253 0.049 Uiso 1 1 calc R U . . .
C11 C 0.9241(2) 0.38769(12) 0.7368(2) 0.0344(6) Uani 1 1 d . . . . .
H11 H 0.896465 0.396130 0.668017 0.041 Uiso 1 1 calc R U . . .
C12 C 0.6312(2) 0.36583(12) 0.8549(2) 0.0351(6) Uani 1 1 d . . . . .
C13 C 0.5993(2) 0.30806(13) 0.8478(3) 0.0463(7) Uani 1 1 d . . . . .
H13 H 0.611265 0.285571 0.791595 0.056 Uiso 1 1 calc R U . . .
C14 C 0.5500(3) 0.28326(18) 0.9230(4) 0.0682(12) Uani 1 1 d . . . . .
H14 H 0.529843 0.243453 0.919017 0.082 Uiso 1 1 calc R U . . .
C15 C 0.5303(3) 0.3156(2) 1.0027(4) 0.0797(14) Uani 1 1 d . . . . .
H15 H 0.495994 0.298375 1.053776 0.096 Uiso 1 1 calc R U . . .
C16 C 0.5600(4) 0.3734(2) 1.0093(3) 0.0819(13) Uani 1 1 d . . . . .
H16 H 0.545361 0.395909 1.064626 0.098 Uiso 1 1 calc R U . . .
C17 C 0.6107(3) 0.39849(16) 0.9361(3) 0.0577(9) Uani 1 1 d . . . . .
H17 H 0.631587 0.438180 0.941259 0.069 Uiso 1 1 calc R U . . .
C18 C 0.5567(2) 0.30292(11) 0.38194(19) 0.0329(5) Uani 1 1 d . . . . .
H18 H 0.635519 0.304280 0.384310 0.040 Uiso 1 1 calc R U . . .
C19 C 0.4921(2) 0.27433(11) 0.30271(19) 0.0358(6) Uani 1 1 d . . . . .
H19 H 0.525720 0.256284 0.252000 0.043 Uiso 1 1 calc R U . . .
C20 C 0.3779(2) 0.27246(12) 0.29852(19) 0.0365(6) Uani 1 1 d . . . . .
H20 H 0.331403 0.252151 0.245852 0.044 Uiso 1 1 calc R U . . .
C21 C 0.3318(2) 0.30059(11) 0.37215(19) 0.0327(5) Uani 1 1 d . . . . .
H21 H 0.252939 0.301171 0.369247 0.039 Uiso 1 1 calc R U . . .
C22 C 0.40177(19) 0.32792(10) 0.45022(17) 0.0248(5) Uani 1 1 d . . . . .
C23 C 0.2081(2) 0.38349(11) 0.50342(18) 0.0279(5) Uani 1 1 d . . . . .
C24 C 0.1948(2) 0.43195(12) 0.4413(2) 0.0382(6) Uani 1 1 d . . . . .
H24 H 0.258622 0.451791 0.426307 0.046 Uiso 1 1 calc R U . . .
C25 C 0.0880(2) 0.45124(14) 0.4012(2) 0.0467(7) Uani 1 1 d . . . . .
H25 H 0.078795 0.484197 0.358389 0.056 Uiso 1 1 calc R U . . .
C26 C -0.0059(2) 0.42254(14) 0.4235(2) 0.0420(7) Uani 1 1 d . . . . .
H26 H -0.078998 0.435852 0.396173 0.050 Uiso 1 1 calc R U . . .
C27 C 0.0080(2) 0.37504(13) 0.4852(2) 0.0376(6) Uani 1 1 d . . . . .
H27 H -0.055934 0.355678 0.501139 0.045 Uiso 1 1 calc R U . . .
C28 C 0.1145(2) 0.35482(11) 0.52465(19) 0.0308(5) Uani 1 1 d . . . . .
H28 H 0.123111 0.321326 0.566211 0.037 Uiso 1 1 calc R U . . .
C29 C 0.3378(2) 0.30160(11) 0.63895(18) 0.0278(5) Uani 1 1 d . . . . .
C30 C 0.3537(3) 0.24467(12) 0.6124(2) 0.0484(8) Uani 1 1 d . . . . .
H30 H 0.372320 0.236099 0.548271 0.058 Uiso 1 1 calc R U . . .
C31 C 0.3428(3) 0.20039(13) 0.6786(3) 0.0573(9) Uani 1 1 d . . . . .
H31 H 0.354977 0.161508 0.660101 0.069 Uiso 1 1 calc R U . . .
C32 C 0.3143(2) 0.21183(13) 0.7712(2) 0.0438(7) Uani 1 1 d . . . . .
H32 H 0.304944 0.180974 0.815638 0.053 Uiso 1 1 calc R U . . .
C33 C 0.2996(2) 0.26819(13) 0.7989(2) 0.0393(6) Uani 1 1 d . . . . .
H33 H 0.280257 0.276457 0.862833 0.047 Uiso 1 1 calc R U . . .
C34 C 0.3129(2) 0.31300(12) 0.7334(2) 0.0334(5) Uani 1 1 d . . . . .
H34 H 0.304751 0.351961 0.753669 0.040 Uiso 1 1 calc R U . . .
Cl1 Cl 0.68278(11) 0.52826(5) 0.11613(9) 0.0844(3) Uani 1 1 d . . . . .
Cl2 Cl 0.89322(10) 0.47104(5) 0.09968(8) 0.0788(3) Uani 1 1 d . . . . .
C35 C 0.7959(4) 0.4858(2) 0.1752(4) 0.0898(14) Uani 1 1 d . . . . .
H35A H 0.833618 0.506246 0.236307 0.108 Uiso 1 1 calc R U . . .
H35B H 0.766489 0.448773 0.196879 0.108 Uiso 1 1 calc R U . . .
Ag1A Ag 0.4857(12) 0.4420(5) 0.6107(15) 0.0403(18) Uani 0.117(12) 1 d . . P A 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 Ag2 78.96(4) . . ?
P1 Ag1 O6 108.64(7) . 3_666 ?
O6 Ag1 Ag2 128.90(8) 3_666 . ?
N1 Ag1 Ag2 90.65(9) . . ?
N1 Ag1 P1 160.10(8) . . ?
N1 Ag1 O6 91.12(8) . 3_666 ?
P2 Ag2 Ag1 75.64(3) . . ?
P2 Ag2 O1 111.61(5) . . ?
P2 Ag2 O4 109.53(6) . . ?
P2 Ag2 Ag1A 76.7(3) . . ?
O1 Ag2 Ag1 172.75(5) . . ?
O1 Ag2 O4 76.34(6) . . ?
O1 Ag2 Ag1A 170.1(4) . . ?
O4 Ag2 Ag1 101.42(5) . . ?
O4 Ag2 Ag1A 96.0(5) . . ?
N2 Ag2 Ag1 83.88(6) . . ?
N2 Ag2 P2 157.09(5) . . ?
N2 Ag2 O1 89.02(7) . . ?
N2 Ag2 O4 84.26(7) . . ?
N2 Ag2 Ag1A 83.9(2) . . ?
C22 P1 Ag1 113.44(9) . . ?
C22 P1 Ag1A 105.4(6) . . ?
C23 P1 Ag1 112.51(9) . . ?
C23 P1 C22 103.72(11) . . ?
C23 P1 Ag1A 116.7(2) . . ?
C29 P1 Ag1 117.69(9) . . ?
C29 P1 C22 102.75(11) . . ?
C29 P1 C23 105.31(11) . . ?
C29 P1 Ag1A 120.8(4) . . ?
C5 P2 Ag2 116.91(8) . . ?
C6 P2 Ag2 113.71(8) . . ?
C6 P2 C5 102.96(11) . . ?
C12 P2 Ag2 115.24(9) . . ?
C12 P2 C5 101.75(12) . . ?
C12 P2 C6 104.55(12) . . ?
N3 O1 Ag2 101.57(15) . . ?
N4 O4 Ag2 108.69(16) . . ?
N4 O6 Ag1 102.00(15) . 3_666 ?
N4 O6 Ag1A 142.5(3) . . ?
N4 O6 Ag1A 110.1(6) . 3_666 ?
Ag1A O6 Ag1A 107.0(6) 3_666 . ?
C1 N1 Ag1 119.56(17) . . ?
C1 N1 C5 118.0(2) . . ?
C1 N1 Ag1A 123.0(3) . . ?
C5 N1 Ag1 122.34(16) . . ?
C5 N1 Ag1A 117.6(3) . . ?
C18 N2 Ag2 116.07(16) . . ?
C18 N2 C22 118.0(2) . . ?
C22 N2 Ag2 124.86(16) . . ?
O2 N3 O1 119.0(2) . . ?
O3 N3 O1 119.9(2) . . ?
O3 N3 O2 121.2(2) . . ?
O4 N4 O5 119.8(2) . . ?
O4 N4 O6 121.5(2) . . ?
O5 N4 O6 118.7(2) . . ?
N1 C1 H1 118.5 . . ?
N1 C1 C2 122.9(2) . . ?
C2 C1 H1 118.5 . . ?
C1 C2 H2 120.6 . . ?
C3 C2 C1 118.9(2) . . ?
C3 C2 H2 120.6 . . ?
C2 C3 H3 120.4 . . ?
C2 C3 C4 119.2(3) . . ?
C4 C3 H3 120.4 . . ?
C3 C4 H4 120.7 . . ?
C5 C4 C3 118.5(3) . . ?
C5 C4 H4 120.7 . . ?
N1 C5 P2 114.69(17) . . ?
N1 C5 C4 122.4(2) . . ?
C4 C5 P2 122.85(19) . . ?
C7 C6 P2 122.8(2) . . ?
C7 C6 C11 119.8(2) . . ?
C11 C6 P2 117.37(18) . . ?
C6 C7 H7 120.0 . . ?
C6 C7 C8 120.0(3) . . ?
C8 C7 H7 120.0 . . ?
C7 C8 H8 119.9 . . ?
C9 C8 C7 120.1(3) . . ?
C9 C8 H8 119.9 . . ?
C8 C9 H9 120.1 . . ?
C10 C9 C8 119.7(3) . . ?
C10 C9 H9 120.1 . . ?
C9 C10 H10 119.6 . . ?
C11 C10 C9 120.7(3) . . ?
C11 C10 H10 119.6 . . ?
C6 C11 H11 120.2 . . ?
C10 C11 C6 119.6(3) . . ?
C10 C11 H11 120.2 . . ?
C13 C12 P2 117.0(2) . . ?
C17 C12 P2 123.5(2) . . ?
C17 C12 C13 119.5(3) . . ?
C12 C13 H13 120.1 . . ?
C14 C13 C12 119.8(4) . . ?
C14 C13 H13 120.1 . . ?
C13 C14 H14 119.8 . . ?
C15 C14 C13 120.4(4) . . ?
C15 C14 H14 119.8 . . ?
C14 C15 H15 119.9 . . ?
C14 C15 C16 120.1(4) . . ?
C16 C15 H15 119.9 . . ?
C15 C16 H16 119.9 . . ?
C17 C16 C15 120.3(4) . . ?
C17 C16 H16 119.9 . . ?
C12 C17 H17 120.0 . . ?
C16 C17 C12 120.0(4) . . ?
C16 C17 H17 120.0 . . ?
N2 C18 H18 118.4 . . ?
N2 C18 C19 123.2(2) . . ?
C19 C18 H18 118.4 . . ?
C18 C19 H19 120.7 . . ?
C20 C19 C18 118.7(2) . . ?
C20 C19 H19 120.7 . . ?
C19 C20 H20 120.6 . . ?
C19 C20 C21 118.9(2) . . ?
C21 C20 H20 120.6 . . ?
C20 C21 H21 120.3 . . ?
C20 C21 C22 119.4(2) . . ?
C22 C21 H21 120.3 . . ?
N2 C22 P1 114.89(17) . . ?
N2 C22 C21 121.8(2) . . ?
C21 C22 P1 123.27(19) . . ?
C24 C23 P1 116.93(19) . . ?
C28 C23 P1 123.41(19) . . ?
C28 C23 C24 119.6(2) . . ?
C23 C24 H24 120.1 . . ?
C25 C24 C23 119.8(3) . . ?
C25 C24 H24 120.1 . . ?
C24 C25 H25 119.8 . . ?
C24 C25 C26 120.3(3) . . ?
C26 C25 H25 119.8 . . ?
C25 C26 H26 120.2 . . ?
C27 C26 C25 119.5(2) . . ?
C27 C26 H26 120.2 . . ?
C26 C27 H27 119.7 . . ?
C26 C27 C28 120.7(3) . . ?
C28 C27 H27 119.7 . . ?
C23 C28 C27 120.0(2) . . ?
C23 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C30 C29 P1 122.8(2) . . ?
C34 C29 P1 118.42(19) . . ?
C34 C29 C30 118.7(2) . . ?
C29 C30 H30 119.9 . . ?
C31 C30 C29 120.2(3) . . ?
C31 C30 H30 119.9 . . ?
C30 C31 H31 119.6 . . ?
C32 C31 C30 120.8(3) . . ?
C32 C31 H31 119.6 . . ?
C31 C32 H32 120.2 . . ?
C33 C32 C31 119.5(3) . . ?
C33 C32 H32 120.2 . . ?
C32 C33 H33 120.0 . . ?
C32 C33 C34 119.9(3) . . ?
C34 C33 H33 120.0 . . ?
C29 C34 C33 120.7(3) . . ?
C29 C34 H34 119.6 . . ?
C33 C34 H34 119.6 . . ?
Cl1 C35 H35A 108.8 . . ?
Cl1 C35 H35B 108.8 . . ?
Cl2 C35 Cl1 113.8(3) . . ?
Cl2 C35 H35A 108.8 . . ?
Cl2 C35 H35B 108.8 . . ?
H35A C35 H35B 107.7 . . ?
P1 Ag1A Ag2 82.0(3) . . ?
P1 Ag1A O6 112.8(7) . . ?
P1 Ag1A O6 105.1(3) . 3_666 ?
O6 Ag1A Ag2 69.8(5) . . ?
O6 Ag1A Ag2 141.8(10) 3_666 . ?
O6 Ag1A O6 73.0(5) 3_666 . ?
N1 Ag1A Ag2 98.2(3) . . ?
N1 Ag1A P1 151.4(11) . . ?
N1 Ag1A O6 92.4(4) . 3_666 ?
N1 Ag1A O6 93.6(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 3.009(2) . ?
Ag1 P1 2.3592(15) . ?
Ag1 O6 2.536(2) 3_666 ?
Ag1 N1 2.250(2) . ?
Ag2 P2 2.3611(6) . ?
Ag2 O1 2.519(2) . ?
Ag2 O4 2.536(2) . ?
Ag2 N2 2.2910(19) . ?
Ag2 Ag1A 2.769(14) . ?
P1 C22 1.826(2) . ?
P1 C23 1.824(2) . ?
P1 C29 1.820(2) . ?
P1 Ag1A 2.481(11) . ?
P2 C5 1.831(2) . ?
P2 C6 1.821(2) . ?
P2 C12 1.807(3) . ?
O1 N3 1.257(3) . ?
O2 N3 1.245(3) . ?
O3 N3 1.237(3) . ?
O4 N4 1.238(3) . ?
O5 N4 1.251(3) . ?
O6 N4 1.253(3) . ?
O6 Ag1A 2.529(11) 3_666 ?
O6 Ag1A 2.53(3) . ?
N1 C1 1.338(3) . ?
N1 C5 1.340(3) . ?
N1 Ag1A 2.204(11) . ?
N2 C18 1.336(3) . ?
N2 C22 1.349(3) . ?
C1 H1 0.9500 . ?
C1 C2 1.380(4) . ?
C2 H2 0.9500 . ?
C2 C3 1.366(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.390(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.384(3) . ?
C6 C7 1.386(3) . ?
C6 C11 1.395(4) . ?
C7 H7 0.9500 . ?
C7 C8 1.387(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.383(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.382(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.379(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.387(4) . ?
C12 C17 1.386(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.385(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.362(7) . ?
C15 H15 0.9500 . ?
C15 C16 1.381(7) . ?
C16 H16 0.9500 . ?
C16 C17 1.376(5) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C18 C19 1.379(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.375(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.381(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.384(3) . ?
C23 C24 1.390(4) . ?
C23 C28 1.385(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.387(4) . ?
C25 H25 0.9500 . ?
C25 C26 1.393(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.369(4) . ?
C27 H27 0.9500 . ?
C27 C28 1.389(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.384(4) . ?
C29 C34 1.383(4) . ?
C30 H30 0.9500 . ?
C30 C31 1.379(4) . ?
C31 H31 0.9500 . ?
C31 C32 1.375(4) . ?
C32 H32 0.9500 . ?
C32 C33 1.374(4) . ?
C33 H33 0.9500 . ?
C33 C34 1.387(4) . ?
C34 H34 0.9500 . ?
Cl1 C35 1.760(5) . ?
Cl2 C35 1.718(5) . ?
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 C22 N2 32.8(2) . . . . ?
Ag1 P1 C22 C21 -149.90(19) . . . . ?
Ag1 P1 C23 C24 46.8(2) . . . . ?
Ag1 P1 C23 C28 -131.4(2) . . . . ?
Ag1 P1 C29 C30 -131.2(2) . . . . ?
Ag1 P1 C29 C34 47.4(2) . . . . ?
Ag1 O6 N4 O4 176.5(2) 3_666 . . . ?
Ag1 O6 N4 O5 -4.4(3) 3_666 . . . ?
Ag1 N1 C1 C2 -175.3(2) . . . . ?
Ag1 N1 C5 P2 -10.1(3) . . . . ?
Ag1 N1 C5 C4 172.9(2) . . . . ?
Ag2 P2 C5 N1 45.2(2) . . . . ?
Ag2 P2 C5 C4 -137.8(2) . . . . ?
Ag2 P2 C6 C7 -140.66(18) . . . . ?
Ag2 P2 C6 C11 40.7(2) . . . . ?
Ag2 P2 C12 C13 35.3(2) . . . . ?
Ag2 P2 C12 C17 -146.5(2) . . . . ?
Ag2 O1 N3 O2 -7.2(2) . . . . ?
Ag2 O1 N3 O3 172.60(17) . . . . ?
Ag2 O4 N4 O5 -165.3(2) . . . . ?
Ag2 O4 N4 O6 13.7(3) . . . . ?
Ag2 N2 C18 C19 167.0(2) . . . . ?
Ag2 N2 C22 P1 10.6(2) . . . . ?
Ag2 N2 C22 C21 -166.73(18) . . . . ?
P1 C23 C24 C25 -178.2(2) . . . . ?
P1 C23 C28 C27 177.2(2) . . . . ?
P1 C29 C30 C31 179.8(3) . . . . ?
P1 C29 C34 C33 178.8(2) . . . . ?
P2 C6 C7 C8 -177.84(19) . . . . ?
P2 C6 C11 C10 176.6(2) . . . . ?
P2 C12 C13 C14 176.6(2) . . . . ?
P2 C12 C17 C16 -177.5(3) . . . . ?
N1 C1 C2 C3 1.3(5) . . . . ?
N2 C18 C19 C20 0.3(4) . . . . ?
C1 N1 C5 P2 173.5(2) . . . . ?
C1 N1 C5 C4 -3.5(4) . . . . ?
C1 C2 C3 C4 -1.5(5) . . . . ?
C2 C3 C4 C5 -0.6(4) . . . . ?
C3 C4 C5 P2 -173.5(2) . . . . ?
C3 C4 C5 N1 3.3(4) . . . . ?
C5 P2 C6 C7 91.9(2) . . . . ?
C5 P2 C6 C11 -86.8(2) . . . . ?
C5 P2 C12 C13 162.9(2) . . . . ?
C5 P2 C12 C17 -19.0(3) . . . . ?
C5 N1 C1 C2 1.2(4) . . . . ?
C6 P2 C5 N1 170.65(19) . . . . ?
C6 P2 C5 C4 -12.4(3) . . . . ?
C6 P2 C12 C13 -90.2(2) . . . . ?
C6 P2 C12 C17 88.0(3) . . . . ?
C6 C7 C8 C9 0.9(4) . . . . ?
C7 C6 C11 C10 -2.1(4) . . . . ?
C7 C8 C9 C10 -1.3(4) . . . . ?
C8 C9 C10 C11 0.0(4) . . . . ?
C9 C10 C11 C6 1.7(4) . . . . ?
C11 C6 C7 C8 0.8(4) . . . . ?
C12 P2 C5 N1 -81.2(2) . . . . ?
C12 P2 C5 C4 95.8(2) . . . . ?
C12 P2 C6 C7 -14.1(2) . . . . ?
C12 P2 C6 C11 167.2(2) . . . . ?
C12 C13 C14 C15 1.5(5) . . . . ?
C13 C12 C17 C16 0.6(5) . . . . ?
C13 C14 C15 C16 -0.4(6) . . . . ?
C14 C15 C16 C17 -0.7(7) . . . . ?
C15 C16 C17 C12 0.5(6) . . . . ?
C17 C12 C13 C14 -1.6(4) . . . . ?
C18 N2 C22 P1 178.22(18) . . . . ?
C18 N2 C22 C21 0.8(3) . . . . ?
C18 C19 C20 C21 1.8(4) . . . . ?
C19 C20 C21 C22 -2.5(4) . . . . ?
C20 C21 C22 P1 -175.92(19) . . . . ?
C20 C21 C22 N2 1.2(4) . . . . ?
C22 P1 C23 C24 -76.2(2) . . . . ?
C22 P1 C23 C28 105.6(2) . . . . ?
C22 P1 C29 C30 -5.8(3) . . . . ?
C22 P1 C29 C34 172.8(2) . . . . ?
C22 N2 C18 C19 -1.6(4) . . . . ?
C23 P1 C22 N2 155.13(18) . . . . ?
C23 P1 C22 C21 -27.5(2) . . . . ?
C23 P1 C29 C30 102.5(3) . . . . ?
C23 P1 C29 C34 -78.9(2) . . . . ?
C23 C24 C25 C26 0.4(5) . . . . ?
C24 C23 C28 C27 -1.0(4) . . . . ?
C24 C25 C26 C27 -0.1(5) . . . . ?
C25 C26 C27 C28 -0.8(4) . . . . ?
C26 C27 C28 C23 1.3(4) . . . . ?
C28 C23 C24 C25 0.1(4) . . . . ?
C29 P1 C22 N2 -95.36(18) . . . . ?
C29 P1 C22 C21 82.0(2) . . . . ?
C29 P1 C23 C24 176.2(2) . . . . ?
C29 P1 C23 C28 -2.0(2) . . . . ?
C29 C30 C31 C32 1.0(6) . . . . ?
C30 C29 C34 C33 -2.6(4) . . . . ?
C30 C31 C32 C33 -1.7(5) . . . . ?
C31 C32 C33 C34 0.3(5) . . . . ?
C32 C33 C34 C29 1.9(4) . . . . ?
C34 C29 C30 C31 1.2(5) . . . . ?
Ag1A P1 C22 N2 32.0(3) . . . . ?
Ag1A P1 C22 C21 -150.7(3) . . . . ?
Ag1A P1 C23 C24 39.1(7) . . . . ?
Ag1A P1 C23 C28 -139.1(7) . . . . ?
Ag1A P1 C29 C30 -122.6(6) . . . . ?
Ag1A P1 C29 C34 56.0(6) . . . . ?
Ag1A O6 N4 O4 178.2(3) 3_666 . . . ?
Ag1A O6 N4 O4 -11.6(6) . . . . ?
Ag1A O6 N4 O5 -2.7(4) 3_666 . . . ?
Ag1A O6 N4 O5 167.4(4) . . . . ?
Ag1A N1 C1 C2 -165.2(8) . . . . ?
Ag1A N1 C5 P2 -19.4(7) . . . . ?
Ag1A N1 C5 C4 163.6(7) . . . . ?
