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#$Date: 2025-10-16 02:13:32 +0300 (Thu, 16 Oct 2025) $
#$Revision: 302876 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/25/09/7250977.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_7250977
loop_
_publ_author_name
'Phan, Vo Quang Huy'
'Watson, Brandon'
'Noonikara Poyil, Anurag'
'Duran, Katrina'
'Patterson, Monika'
'Dias, Rasika'
_publ_section_title
;
 Multinuclear copper(I) and silver(I) pyrazolates decorated with adamantyl
 substituents
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D5CE00912J
_journal_year                    2025
_chemical_formula_moiety         'C48 H69 Ag3 N6'
_chemical_formula_sum            'C48 H69 Ag3 N6'
_chemical_formula_weight         1053.70
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2024-07-26
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_audit_update_record
;
2025-07-25 deposited with the CCDC.	2025-10-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.890(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.9738(17)
_cell_length_b                   12.7162(15)
_cell_length_c                   23.893(3)
_cell_measurement_reflns_used    9531
_cell_measurement_temperature    99.98
_cell_measurement_theta_max      30.25
_cell_measurement_theta_min      2.30
_cell_volume                     4525.4(9)
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       'APEX3 Ver. 2016.5-0 (Bruker-AXS, 2016)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_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 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      99.98
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_detector       'PHOTON II 7 CPAD'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_av_unetI/netI     0.0322
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            51816
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.525
_diffrn_reflns_theta_min         1.367
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.325
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6542
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1005 before and 0.0468 after correction.
The Ratio of minimum to maximum transmission is 0.8768.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.547
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             2160
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.927
_refine_diff_density_min         -0.582
_refine_diff_density_rms         0.100
_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     550
_refine_ls_number_reflns         13405
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0405
_refine_ls_R_factor_gt           0.0310
_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)+(0.0352P)²+3.7458P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0725
_refine_ls_wR_factor_ref         0.0773
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11244
_reflns_number_total             13405
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5ce00912j2.cif
_cod_data_source_block           dia14_0m_a
_cod_database_code               7250977
_shelx_shelxl_version_number     2019/3
_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.
;
_shelx_estimated_absorpt_t_max   0.879
_shelx_estimated_absorpt_t_min   0.700
_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
2. Restrained distances
 C30-C19 \\sim C30A-C19
 with sigma of 0.005
 C31-C30 \\sim C32-C30 \\sim C32A-C30A \\sim C30A-C31A
 with sigma of 0.005
3. Rigid bond restraints
 C30, C30A
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
4. Uiso/Uaniso restraints and constraints
C30 \\sim C30A: within 1.7A with sigma of 0.005 and sigma for terminal atoms of
0.005 within 1.7A
5. Others
 Sof(C30)=Sof(H30)=Sof(C31)=Sof(H31A)=Sof(H31B)=Sof(H31C)=Sof(C32)=Sof(H32A)=
 Sof(H32B)=Sof(H32C)=1-FVAR(1)
 Sof(C30A)=Sof(H30A)=Sof(C31A)=Sof(H31D)=Sof(H31E)=Sof(H31F)=Sof(C32A)=
 Sof(H32D)=Sof(H32E)=Sof(H32F)=FVAR(1)
6.a Ternary CH refined with riding coordinates:
 C6(H6), C8(H8), C11(H11), C14(H14), C22(H22), C24(H24), C27(H27), C38(H38),
 C40(H40), C43(H43), C46(H46), C30(H30), C30A(H30A)
6.b Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C7(H7A,H7B), C9(H9A,H9B), C10(H10A,H10B), C12(H12A,H12B),
 C13(H13A,H13B), C21(H21A,H21B), C23(H23A,H23B), C25(H25A,H25B), C26(H26A,H26B),
  C28(H28A,H28B), C29(H29A,H29B), C37(H37A,H37B), C39(H39A,H39B), C41(H41A,
 H41B), C42(H42A,H42B), C44(H44A,H44B), C45(H45A,H45B)
6.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C18(H18), C34(H34)
6.d Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C47(H47A,H47B,H47C), C48(H48A,H48B,
 H48C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C31A(H31D,H31E,H31F),
 C32A(H32D,H32E,H32F)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.18147(2) 0.47494(2) 0.73687(2) 0.01872(4) Uani 1 1 d . . . . .
Ag2 Ag 0.20858(2) 0.48577(2) 0.59537(2) 0.01951(4) Uani 1 1 d . . . . .
Ag3 Ag 0.34571(2) 0.32709(2) 0.68309(2) 0.02027(4) Uani 1 1 d . . . . .
N1 N 0.09320(12) 0.56237(15) 0.68345(8) 0.0200(4) Uani 1 1 d . . . . .
N2 N 0.11504(12) 0.57971(15) 0.62970(8) 0.0209(4) Uani 1 1 d . . . . .
N3 N 0.30595(13) 0.39296(15) 0.56396(8) 0.0233(4) Uani 1 1 d . . . . .
N4 N 0.33883(14) 0.30955(16) 0.59660(9) 0.0271(4) Uani 1 1 d . . . . .
N5 N 0.35145(12) 0.35289(14) 0.76898(8) 0.0199(4) Uani 1 1 d . . . . .
N6 N 0.27823(12) 0.39832(14) 0.78998(8) 0.0195(4) Uani 1 1 d . . . . .
C1 C 0.02939(14) 0.63326(17) 0.69403(9) 0.0199(4) Uani 1 1 d . . . . .
C2 C 0.01057(16) 0.69676(19) 0.64655(10) 0.0245(5) Uani 1 1 d . . . . .
H2 H -0.031251 0.753051 0.641967 0.029 Uiso 1 1 calc R U . . .
C3 C 0.06591(16) 0.66030(18) 0.60736(10) 0.0236(5) Uani 1 1 d . . . . .
C4 C -0.01160(14) 0.63502(18) 0.74939(9) 0.0203(4) Uani 1 1 d . . . . .
C5 C -0.09332(16) 0.7097(2) 0.74457(10) 0.0266(5) Uani 1 1 d . . . . .
H5A H -0.073850 0.781610 0.735645 0.032 Uiso 1 1 calc R U . . .
H5B H -0.137792 0.685938 0.713623 0.032 Uiso 1 1 calc R U . . .
C6 C -0.13684(18) 0.7111(2) 0.80001(11) 0.0348(6) Uani 1 1 d . . . . .
H6 H -0.189776 0.759437 0.795978 0.042 Uiso 1 1 calc R U . . .
C7 C -0.0694(2) 0.7508(2) 0.84741(12) 0.0378(6) Uani 1 1 d . . . . .
H7A H -0.097666 0.753253 0.883060 0.045 Uiso 1 1 calc R U . . .
H7B H -0.049652 0.822764 0.838745 0.045 Uiso 1 1 calc R U . . .
C8 C 0.01190(17) 0.6763(2) 0.85370(10) 0.0300(5) Uani 1 1 d . . . . .
H8 H 0.056424 0.701809 0.884801 0.036 Uiso 1 1 calc R U . . .
C9 C 0.05576(16) 0.6751(2) 0.79803(10) 0.0253(5) Uani 1 1 d . . . . .
H9A H 0.109223 0.628893 0.801990 0.030 Uiso 1 1 calc R U . . .
H9B H 0.075651 0.747036 0.789368 0.030 Uiso 1 1 calc R U . . .
C10 C -0.04323(16) 0.52430(19) 0.76465(10) 0.0253(5) Uani 1 1 d . . . . .
H10A H -0.086835 0.497702 0.733960 0.030 Uiso 1 1 calc R U . . .
H10B H 0.008806 0.475871 0.768497 0.030 Uiso 1 1 calc R U . . .
C11 C -0.08737(18) 0.5259(2) 0.81996(12) 0.0327(6) Uani 1 1 d . . . . .
H11 H -0.107524 0.453424 0.828972 0.039 Uiso 1 1 calc R U . . .
C12 C -0.01943(18) 0.5660(2) 0.86749(11) 0.0333(6) Uani 1 1 d . . . . .
H12A H -0.047536 0.567386 0.903227 0.040 Uiso 1 1 calc R U . . .
H12B H 0.032773 0.517846 0.872294 0.040 Uiso 1 1 calc R U . . .
C13 C -0.16843(18) 0.6006(3) 0.81344(12) 0.0387(7) Uani 1 1 d . . . . .
H13A H -0.212760 0.575567 0.782740 0.046 Uiso 1 1 calc R U . . .
H13B H -0.197810 0.601821 0.848717 0.046 Uiso 1 1 calc R U . . .
C14 C 0.07553(17) 0.6973(2) 0.54850(10) 0.0283(5) Uani 1 1 d . . . . .
H14 H 0.127968 0.659673 0.535115 0.034 Uiso 1 1 calc R U . . .
C15 C 0.0951(3) 0.8154(3) 0.54683(14) 0.0552(9) Uani 1 1 d . . . . .
H15A H 0.045296 0.854444 0.560558 0.083 Uiso 1 1 calc R U . . .
H15B H 0.101909 0.836644 0.508066 0.083 Uiso 1 1 calc R U . . .
H15C H 0.150673 0.830764 0.570804 0.083 Uiso 1 1 calc R U . . .
C16 C -0.0063(2) 0.6712(3) 0.50828(13) 0.0513(9) Uani 1 1 d . . . . .
H16A H -0.017739 0.595344 0.509213 0.077 Uiso 1 1 calc R U . . .
H16B H 0.004330 0.692061 0.470044 0.077 Uiso 1 1 calc R U . . .
H16C H -0.058519 0.709200 0.519556 0.077 Uiso 1 1 calc R U . . .
C17 C 0.33695(15) 0.38498(19) 0.51300(10) 0.0247(5) Uani 1 1 d . . . . .
C18 C 0.39059(19) 0.2955(2) 0.51272(11) 0.0365(7) Uani 1 1 d . . . . .
H18 H 0.421435 0.270511 0.482539 0.044 Uiso 1 1 calc R U . . .
C19 C 0.3897(2) 0.2504(2) 0.56532(11) 0.0369(7) Uani 1 1 d D . . . .
C20 C 0.31438(16) 0.46458(19) 0.46725(10) 0.0231(5) Uani 1 1 d . . . . .
C21 C 0.21482(18) 0.4588(2) 0.44460(12) 0.0357(6) Uani 1 1 d . . . . .
H21A H 0.177254 0.473322 0.475480 0.043 Uiso 1 1 calc R U . . .
H21B H 0.200520 0.387025 0.430291 0.043 Uiso 1 1 calc R U . . .
C22 C 0.1931(2) 0.5390(3) 0.39697(14) 0.0448(8) Uani 1 1 d . . . . .
H22 H 0.128119 0.533927 0.382623 0.054 Uiso 1 1 calc R U . . .
C23 C 0.2136(3) 0.6489(3) 0.41912(14) 0.0546(10) Uani 1 1 d . . . . .
H23A H 0.199527 0.700713 0.388561 0.066 Uiso 1 1 calc R U . . .
H23B H 0.175652 0.664904 0.449627 0.066 Uiso 1 1 calc R U . . .
C24 C 0.3114(3) 0.6574(2) 0.44130(13) 0.0529(10) Uani 1 1 d . . . . .
H24 H 0.323978 0.730001 0.456225 0.063 Uiso 1 1 calc R U . . .
C25 C 0.3336(2) 0.5771(2) 0.48877(11) 0.0386(7) Uani 1 1 d . . . . .
H25A H 0.296983 0.592250 0.520059 0.046 Uiso 1 1 calc R U . . .
H25B H 0.397673 0.583437 0.503355 0.046 Uiso 1 1 calc R U . . .
C26 C 0.3714(2) 0.4455(3) 0.41778(11) 0.0391(7) Uani 1 1 d . . . . .
H26A H 0.435919 0.450221 0.431519 0.047 Uiso 1 1 calc R U . . .
H26B H 0.359537 0.373870 0.402535 0.047 Uiso 1 1 calc R U . . .
C27 C 0.3491(2) 0.5263(2) 0.37115(11) 0.0366(6) Uani 1 1 d . . . . .
H27 H 0.386789 0.512291 0.339729 0.044 Uiso 1 1 calc R U . . .
C28 C 0.2505(2) 0.5160(2) 0.34935(12) 0.0394(7) Uani 1 1 d . . . . .
H28A H 0.238135 0.443853 0.334933 0.047 Uiso 1 1 calc R U . . .
H28B H 0.235517 0.566026 0.318056 0.047 Uiso 1 1 calc R U . . .
C29 C 0.3688(2) 0.6361(3) 0.39392(12) 0.0470(8) Uani 1 1 d . . . . .
H29A H 0.433114 0.642168 0.407976 0.056 Uiso 1 1 calc R U . . .
H29B H 0.355370 0.688502 0.363566 0.056 Uiso 1 1 calc R U . . .
C33 C 0.41159(14) 0.32834(16) 0.81317(10) 0.0187(4) Uani 1 1 d . . . . .
C34 C 0.37736(15) 0.35813(18) 0.86274(10) 0.0236(5) Uani 1 1 d . . . . .
H34 H 0.405452 0.350606 0.900018 0.028 Uiso 1 1 calc R U . . .
C35 C 0.29294(15) 0.40147(18) 0.84624(10) 0.0218(4) Uani 1 1 d . . . . .
C36 C 0.50000(14) 0.27558(16) 0.80534(9) 0.0190(4) Uani 1 1 d . . . . .
C37 C 0.55801(15) 0.34437(18) 0.76984(10) 0.0220(4) Uani 1 1 d . . . . .
H37A H 0.525034 0.357576 0.732434 0.026 Uiso 1 1 calc R U . . .
H37B H 0.569941 0.413027 0.788674 0.026 Uiso 1 1 calc R U . . .
C38 C 0.64747(15) 0.2892(2) 0.76256(10) 0.0251(5) Uani 1 1 d . . . . .
H38 H 0.683989 0.334311 0.739251 0.030 Uiso 1 1 calc R U . . .
C39 C 0.62889(17) 0.1834(2) 0.73332(11) 0.0293(5) Uani 1 1 d . . . . .
H39A H 0.596540 0.194927 0.695564 0.035 Uiso 1 1 calc R U . . .
H39B H 0.686448 0.147940 0.728441 0.035 Uiso 1 1 calc R U . . .
C40 C 0.57283(16) 0.11380(18) 0.76783(11) 0.0266(5) Uani 1 1 d . . . . .
H40 H 0.561145 0.044825 0.748344 0.032 Uiso 1 1 calc R U . . .
C41 C 0.48327(15) 0.16890(17) 0.77494(11) 0.0241(5) Uani 1 1 d . . . . .
H41A H 0.446284 0.123397 0.797031 0.029 Uiso 1 1 calc R U . . .
H41B H 0.449842 0.180603 0.737522 0.029 Uiso 1 1 calc R U . . .
C42 C 0.55343(15) 0.25587(18) 0.86303(10) 0.0221(4) Uani 1 1 d . . . . .
H42A H 0.565023 0.323690 0.882791 0.027 Uiso 1 1 calc R U . . .
H42B H 0.517655 0.211189 0.886300 0.027 Uiso 1 1 calc R U . . .
C43 C 0.64300(15) 0.20145(18) 0.85575(10) 0.0234(5) Uani 1 1 d . . . . .
H43 H 0.676632 0.189057 0.893531 0.028 Uiso 1 1 calc R U . . .
C44 C 0.69927(15) 0.2709(2) 0.82039(10) 0.0258(5) Uani 1 1 d . . . . .
H44A H 0.711900 0.339126 0.839575 0.031 Uiso 1 1 calc R U . . .
H44B H 0.757256 0.236122 0.815930 0.031 Uiso 1 1 calc R U . . .
C45 C 0.62374(17) 0.09579(19) 0.82599(11) 0.0280(5) Uani 1 1 d . . . . .
H45A H 0.680971 0.058980 0.821912 0.034 Uiso 1 1 calc R U . . .
H45B H 0.587446 0.050949 0.848863 0.034 Uiso 1 1 calc R U . . .
C46 C 0.22365(16) 0.44663(19) 0.88064(11) 0.0257(5) Uani 1 1 d . . . . .
H46 H 0.167602 0.457518 0.854735 0.031 Uiso 1 1 calc R U . . .
C47 C 0.2519(2) 0.5534(2) 0.90515(13) 0.0383(6) Uani 1 1 d . . . . .
H47A H 0.303218 0.544607 0.933678 0.057 Uiso 1 1 calc R U . . .
H47B H 0.201716 0.584931 0.922483 0.057 Uiso 1 1 calc R U . . .
H47C H 0.268882 0.599381 0.875093 0.057 Uiso 1 1 calc R U . . .
C48 C 0.20093(19) 0.3708(2) 0.92641(13) 0.0358(6) Uani 1 1 d . . . . .
H48A H 0.180312 0.303963 0.909270 0.054 Uiso 1 1 calc R U . . .
H48B H 0.153360 0.401117 0.946656 0.054 Uiso 1 1 calc R U . . .
H48C H 0.254502 0.358659 0.952769 0.054 Uiso 1 1 calc R U . . .
C30 C 0.4090(4) 0.1383(4) 0.5899(3) 0.0312(17) Uani 0.412(7) 1 d D U P A 1
H30 H 0.408912 0.143242 0.631681 0.037 Uiso 0.412(7) 1 calc R U P A 1
C31 C 0.3477(5) 0.0470(5) 0.5697(3) 0.041(2) Uani 0.412(7) 1 d D . P A 1
H31A H 0.286103 0.062317 0.577732 0.061 Uiso 0.412(7) 1 calc R U P A 1
H31B H 0.368528 -0.017523 0.589389 0.061 Uiso 0.412(7) 1 calc R U P A 1
H31C H 0.349021 0.037448 0.529122 0.061 Uiso 0.412(7) 1 calc R U P A 1
C32 C 0.5034(4) 0.1091(6) 0.5779(5) 0.040(2) Uani 0.412(7) 1 d D . P A 1
H32A H 0.506229 0.106263 0.537102 0.059 Uiso 0.412(7) 1 calc R U P A 1
H32B H 0.519157 0.040155 0.594355 0.059 Uiso 0.412(7) 1 calc R U P A 1
H32C H 0.545822 0.162026 0.594387 0.059 Uiso 0.412(7) 1 calc R U P A 1
C30A C 0.4487(3) 0.1589(3) 0.58762(18) 0.0252(10) Uani 0.588(7) 1 d D U P A 2
H30A H 0.492842 0.184155 0.619009 0.030 Uiso 0.588(7) 1 calc R U P A 2
C31A C 0.3843(3) 0.0822(4) 0.6105(2) 0.0389(14) Uani 0.588(7) 1 d D . P A 2
H31D H 0.351236 0.117688 0.638406 0.058 Uiso 0.588(7) 1 calc R U P A 2
H31E H 0.418073 0.022912 0.628358 0.058 Uiso 0.588(7) 1 calc R U P A 2
H31F H 0.341880 0.056146 0.579671 0.058 Uiso 0.588(7) 1 calc R U P A 2
C32A C 0.4987(4) 0.1098(5) 0.5422(3) 0.0388(13) Uani 0.588(7) 1 d D . P A 2
H32D H 0.455756 0.088206 0.510615 0.058 Uiso 0.588(7) 1 calc R U P A 2
H32E H 0.532147 0.048186 0.557537 0.058 Uiso 0.588(7) 1 calc R U P A 2
H32F H 0.540710 0.161237 0.529145 0.058 Uiso 0.588(7) 1 calc R U 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'
N N 0.0061 0.0033 '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
N1 Ag1 N6 174.79(7) . . ?
N2 Ag2 N3 177.60(8) . . ?
N4 Ag3 N5 177.03(8) . . ?
N2 N1 Ag1 117.71(14) . . ?
C1 N1 Ag1 131.38(15) . . ?
C1 N1 N2 107.89(17) . . ?
N1 N2 Ag2 120.81(14) . . ?
C3 N2 Ag2 130.44(16) . . ?
C3 N2 N1 108.73(18) . . ?
N4 N3 Ag2 117.18(15) . . ?
C17 N3 Ag2 133.47(16) . . ?
C17 N3 N4 108.45(19) . . ?
N3 N4 Ag3 117.42(14) . . ?
C19 N4 Ag3 129.75(17) . . ?
C19 N4 N3 107.7(2) . . ?
N6 N5 Ag3 118.25(14) . . ?
C33 N5 Ag3 133.92(15) . . ?
C33 N5 N6 107.66(18) . . ?
N5 N6 Ag1 120.47(14) . . ?
C35 N6 Ag1 129.32(15) . . ?
C35 N6 N5 108.82(17) . . ?
N1 C1 C2 108.7(2) . . ?
N1 C1 C4 121.95(19) . . ?
C2 C1 C4 129.4(2) . . ?
C1 C2 H2 127.2 . . ?
C3 C2 C1 105.62(19) . . ?
C3 C2 H2 127.2 . . ?
N2 C3 C2 109.1(2) . . ?
N2 C3 C14 120.7(2) . . ?
C2 C3 C14 130.2(2) . . ?
C1 C4 C5 109.47(18) . . ?
C1 C4 C9 111.72(18) . . ?
C1 C4 C10 110.80(19) . . ?
C5 C4 C9 107.72(19) . . ?
C10 C4 C5 108.60(19) . . ?
C10 C4 C9 108.44(19) . . ?
C4 C5 H5A 109.6 . . ?
C4 C5 H5B 109.6 . . ?
H5A C5 H5B 108.1 . . ?
C6 C5 C4 110.26(19) . . ?
C6 C5 H5A 109.6 . . ?
C6 C5 H5B 109.6 . . ?
C5 C6 H6 109.0 . . ?
C7 C6 C5 109.7(2) . . ?
C7 C6 H6 109.0 . . ?
C7 C6 C13 110.2(2) . . ?
C13 C6 C5 109.8(2) . . ?
C13 C6 H6 109.0 . . ?
C6 C7 H7A 109.9 . . ?
C6 C7 H7B 109.9 . . ?
C6 C7 C8 109.0(2) . . ?
H7A C7 H7B 108.3 . . ?
C8 C7 H7A 109.9 . . ?
C8 C7 H7B 109.9 . . ?
C7 C8 H8 109.5 . . ?
C7 C8 C9 108.9(2) . . ?
C9 C8 H8 109.5 . . ?
C12 C8 C7 109.3(2) . . ?
C12 C8 H8 109.5 . . ?
C12 C8 C9 110.2(2) . . ?
C4 C9 H9A 109.6 . . ?
C4 C9 H9B 109.6 . . ?
C8 C9 C4 110.4(2) . . ?
C8 C9 H9A 109.6 . . ?
C8 C9 H9B 109.6 . . ?
H9A C9 H9B 108.1 . . ?
C4 C10 H10A 109.4 . . ?
C4 C10 H10B 109.4 . . ?
H10A C10 H10B 108.0 . . ?
C11 C10 C4 111.2(2) . . ?
C11 C10 H10A 109.4 . . ?
C11 C10 H10B 109.4 . . ?
C10 C11 H11 109.8 . . ?
C12 C11 C10 109.3(2) . . ?
C12 C11 H11 109.8 . . ?
C12 C11 C13 109.1(2) . . ?
C13 C11 C10 109.0(2) . . ?
C13 C11 H11 109.8 . . ?
C8 C12 C11 109.9(2) . . ?
C8 C12 H12A 109.7 . . ?
C8 C12 H12B 109.7 . . ?
C11 C12 H12A 109.7 . . ?
C11 C12 H12B 109.7 . . ?
H12A C12 H12B 108.2 . . ?
C6 C13 C11 109.4(2) . . ?
C6 C13 H13A 109.8 . . ?
C6 C13 H13B 109.8 . . ?
C11 C13 H13A 109.8 . . ?
C11 C13 H13B 109.8 . . ?
H13A C13 H13B 108.2 . . ?
C3 C14 H14 107.6 . . ?
C3 C14 C15 111.6(2) . . ?
C3 C14 C16 112.1(2) . . ?
C15 C14 H14 107.6 . . ?
C16 C14 H14 107.6 . . ?
C16 C14 C15 110.1(3) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N3 C17 C18 108.5(2) . . ?
N3 C17 C20 122.2(2) . . ?
C18 C17 C20 129.3(2) . . ?
C17 C18 H18 127.0 . . ?
C19 C18 C17 106.0(2) . . ?
C19 C18 H18 127.0 . . ?
N4 C19 C18 109.3(2) . . ?
N4 C19 C30 113.2(3) . . ?
N4 C19 C30A 124.9(3) . . ?
C18 C19 C30 134.7(3) . . ?
C18 C19 C30A 125.1(3) . . ?
C17 C20 C21 111.2(2) . . ?
C17 C20 C25 111.3(2) . . ?
C17 C20 C26 110.5(2) . . ?
C21 C20 C25 107.7(2) . . ?
C21 C20 C26 108.4(2) . . ?
C25 C20 C26 107.6(2) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 C22 110.7(2) . . ?
H21A C21 H21B 108.1 . . ?
C22 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
C21 C22 H22 109.6 . . ?
C23 C22 C21 109.5(3) . . ?
C23 C22 H22 109.6 . . ?
C23 C22 C28 109.2(2) . . ?
C28 C22 C21 109.4(3) . . ?
C28 C22 H22 109.6 . . ?
C22 C23 H23A 109.6 . . ?
C22 C23 H23B 109.6 . . ?
H23A C23 H23B 108.2 . . ?
C24 C23 C22 110.1(3) . . ?
C24 C23 H23A 109.6 . . ?
C24 C23 H23B 109.6 . . ?
C23 C24 H24 109.4 . . ?
C23 C24 C25 109.8(3) . . ?
C23 C24 C29 109.2(3) . . ?
C25 C24 H24 109.4 . . ?
C29 C24 H24 109.4 . . ?
C29 C24 C25 109.7(3) . . ?
C20 C25 H25A 109.5 . . ?
C20 C25 H25B 109.5 . . ?
C24 C25 C20 110.7(2) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 108.1 . . ?
C20 C26 H26A 109.5 . . ?
C20 C26 H26B 109.5 . . ?
H26A C26 H26B 108.1 . . ?
C27 C26 C20 110.8(2) . . ?
C27 C26 H26A 109.5 . . ?
C27 C26 H26B 109.5 . . ?
C26 C27 H27 109.3 . . ?
C28 C27 C26 108.8(2) . . ?
C28 C27 H27 109.3 . . ?
C29 C27 C26 109.8(2) . . ?
C29 C27 H27 109.3 . . ?
C29 C27 C28 110.4(3) . . ?
C22 C28 H28A 109.8 . . ?
C22 C28 H28B 109.8 . . ?
C27 C28 C22 109.3(2) . . ?
C27 C28 H28A 109.8 . . ?
C27 C28 H28B 109.8 . . ?
H28A C28 H28B 108.3 . . ?
C24 C29 C27 109.2(2) . . ?
C24 C29 H29A 109.8 . . ?
C24 C29 H29B 109.8 . . ?
C27 C29 H29A 109.8 . . ?
C27 C29 H29B 109.8 . . ?
H29A C29 H29B 108.3 . . ?
N5 C33 C34 109.15(19) . . ?
N5 C33 C36 121.8(2) . . ?
C34 C33 C36 129.0(2) . . ?
C33 C34 H34 127.2 . . ?
C33 C34 C35 105.6(2) . . ?
C35 C34 H34 127.2 . . ?
N6 C35 C34 108.8(2) . . ?
N6 C35 C46 120.57(19) . . ?
C34 C35 C46 130.7(2) . . ?
C33 C36 C37 111.40(17) . . ?
C33 C36 C41 110.21(18) . . ?
C33 C36 C42 110.00(19) . . ?
C37 C36 C41 108.15(19) . . ?
C42 C36 C37 108.25(18) . . ?
C42 C36 C41 108.75(18) . . ?
C36 C37 H37A 109.6 . . ?
C36 C37 H37B 109.6 . . ?
H37A C37 H37B 108.1 . . ?
C38 C37 C36 110.44(18) . . ?
C38 C37 H37A 109.6 . . ?
C38 C37 H37B 109.6 . . ?
C37 C38 H38 109.5 . . ?
C39 C38 C37 109.47(19) . . ?
C39 C38 H38 109.5 . . ?
C39 C38 C44 109.3(2) . . ?
C44 C38 C37 109.50(19) . . ?
C44 C38 H38 109.5 . . ?
C38 C39 H39A 109.6 . . ?
C38 C39 H39B 109.6 . . ?
H39A C39 H39B 108.1 . . ?
C40 C39 C38 110.5(2) . . ?
C40 C39 H39A 109.6 . . ?
C40 C39 H39B 109.6 . . ?
C39 C40 H40 109.8 . . ?
C39 C40 C41 109.34(19) . . ?
C39 C40 C45 109.2(2) . . ?
C41 C40 H40 109.8 . . ?
C45 C40 H40 109.8 . . ?
C45 C40 C41 109.0(2) . . ?
C36 C41 H41A 109.5 . . ?
C36 C41 H41B 109.5 . . ?
C40 C41 C36 110.51(18) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 108.1 . . ?
C36 C42 H42A 109.5 . . ?
C36 C42 H42B 109.5 . . ?
H42A C42 H42B 108.1 . . ?
C43 C42 C36 110.57(19) . . ?
C43 C42 H42A 109.5 . . ?
C43 C42 H42B 109.5 . . ?
C42 C43 H43 109.5 . . ?
C44 C43 C42 109.79(19) . . ?
C44 C43 H43 109.5 . . ?
C44 C43 C45 109.7(2) . . ?
C45 C43 C42 108.82(19) . . ?
C45 C43 H43 109.5 . . ?
C38 C44 C43 109.19(19) . . ?
C38 C44 H44A 109.8 . . ?
C38 C44 H44B 109.8 . . ?
C43 C44 H44A 109.8 . . ?
C43 C44 H44B 109.8 . . ?
H44A C44 H44B 108.3 . . ?
C40 C45 C43 109.99(19) . . ?
C40 C45 H45A 109.7 . . ?
C40 C45 H45B 109.7 . . ?
C43 C45 H45A 109.7 . . ?
C43 C45 H45B 109.7 . . ?
H45A C45 H45B 108.2 . . ?
C35 C46 H46 107.3 . . ?
C35 C46 C47 111.8(2) . . ?
C35 C46 C48 111.6(2) . . ?
C47 C46 H46 107.3 . . ?
C47 C46 C48 111.2(2) . . ?
C48 C46 H46 107.3 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C19 C30 H30 107.5 . . ?
C31 C30 C19 119.7(5) . . ?
C31 C30 H30 107.5 . . ?
C32 C30 C19 107.0(5) . . ?
C32 C30 H30 107.5 . . ?
C32 C30 C31 107.2(5) . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C19 C30A H30A 109.4 . . ?
C31A C30A C19 104.5(3) . . ?
C31A C30A H30A 109.4 . . ?
C31A C30A C32A 111.9(4) . . ?
C32A C30A C19 112.1(4) . . ?
C32A C30A H30A 109.4 . . ?
C30A C31A H31D 109.5 . . ?
C30A C31A H31E 109.5 . . ?
C30A C31A H31F 109.5 . . ?
H31D C31A H31E 109.5 . . ?
H31D C31A H31F 109.5 . . ?
H31E C31A H31F 109.5 . . ?
C30A C32A H32D 109.5 . . ?
C30A C32A H32E 109.5 . . ?
C30A C32A H32F 109.5 . . ?
H32D C32A H32E 109.5 . . ?
H32D C32A H32F 109.5 . . ?
H32E C32A H32F 109.5 . . ?
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 2.0653(18) . ?
Ag1 N6 2.0693(18) . ?
Ag2 N2 2.0730(19) . ?
Ag2 N3 2.0751(19) . ?
Ag3 N4 2.070(2) . ?
Ag3 N5 2.0714(19) . ?
N1 N2 1.375(3) . ?
N1 C1 1.356(3) . ?
N2 C3 1.340(3) . ?
N3 N4 1.377(3) . ?
N3 C17 1.351(3) . ?
N4 C19 1.350(3) . ?
N5 N6 1.379(2) . ?
N5 C33 1.352(3) . ?
N6 C35 1.340(3) . ?
C1 C2 1.398(3) . ?
C1 C4 1.514(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.392(3) . ?
C3 C14 1.504(3) . ?
C4 C5 1.544(3) . ?
C4 C9 1.545(3) . ?
C4 C10 1.541(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C6 1.535(3) . ?
C6 H6 1.0000 . ?
C6 C7 1.524(4) . ?
C6 C13 1.527(4) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.537(4) . ?
C8 H8 1.0000 . ?
C8 C9 1.543(3) . ?
C8 C12 1.527(4) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.537(3) . ?
C11 H11 1.0000 . ?
C11 C12 1.532(4) . ?
C11 C13 1.537(4) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14 1.0000 . ?
C14 C15 1.531(4) . ?
C14 C16 1.515(4) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.393(3) . ?
C17 C20 1.503(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.382(4) . ?
C19 C30 1.557(5) . ?
C19 C30A 1.523(4) . ?
C20 C21 1.535(3) . ?
C20 C25 1.538(3) . ?
C20 C26 1.547(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.539(4) . ?
C22 H22 1.0000 . ?
C22 C23 1.514(5) . ?
C22 C28 1.523(5) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.510(6) . ?
C24 H24 1.0000 . ?
C24 C25 1.537(4) . ?
C24 C29 1.514(5) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.527(4) . ?
C27 H27 1.0000 . ?
C27 C28 1.521(4) . ?
C27 C29 1.516(4) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C33 C34 1.391(3) . ?
C33 C36 1.513(3) . ?
C34 H34 0.9500 . ?
C34 C35 1.398(3) . ?
C35 C46 1.502(3) . ?
C36 C37 1.546(3) . ?
C36 C41 1.547(3) . ?
C36 C42 1.542(3) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C37 C38 1.537(3) . ?
C38 H38 1.0000 . ?
C38 C39 1.529(4) . ?
C38 C44 1.532(3) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 C40 1.520(4) . ?
C40 H40 1.0000 . ?
C40 C41 1.538(3) . ?
C40 C45 1.532(3) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C42 C43 1.535(3) . ?
C43 H43 1.0000 . ?
C43 C44 1.533(3) . ?
C43 C45 1.533(3) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46 1.0000 . ?
C46 C47 1.521(4) . ?
C46 C48 1.522(4) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C30 H30 1.0000 . ?
C30 C31 1.528(5) . ?
C30 C32 1.518(5) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C30A H30A 1.0000 . ?
C30A C31A 1.514(4) . ?
C30A C32A 1.515(4) . ?
C31A H31D 0.9800 . ?
C31A H31E 0.9800 . ?
C31A H31F 0.9800 . ?
C32A H32D 0.9800 . ?
C32A H32E 0.9800 . ?
C32A H32F 0.9800 . ?
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 N1 N2 Ag2 18.9(2) . . . . ?
Ag1 N1 N2 C3 -162.32(15) . . . . ?
Ag1 N1 C1 C2 159.10(17) . . . . ?
Ag1 N1 C1 C4 -22.0(3) . . . . ?
Ag1 N6 C35 C34 -165.95(16) . . . . ?
Ag1 N6 C35 C46 14.1(3) . . . . ?
Ag2 N2 C3 C2 178.41(17) . . . . ?
Ag2 N2 C3 C14 -1.4(3) . . . . ?
Ag2 N3 N4 Ag3 -32.3(2) . . . . ?
Ag2 N3 N4 C19 170.45(18) . . . . ?
Ag2 N3 C17 C18 -168.61(19) . . . . ?
Ag2 N3 C17 C20 12.2(3) . . . . ?
Ag3 N4 C19 C18 -153.1(2) . . . . ?
Ag3 N4 C19 C30 42.8(4) . . . . ?
Ag3 N4 C19 C30A 17.9(5) . . . . ?
Ag3 N5 N6 Ag1 -16.4(2) . . . . ?
Ag3 N5 N6 C35 175.82(14) . . . . ?
Ag3 N5 C33 C34 -175.22(16) . . . . ?
Ag3 N5 C33 C36 4.1(3) . . . . ?
N1 N2 C3 C2 -0.2(3) . . . . ?
N1 N2 C3 C14 180.0(2) . . . . ?
N1 C1 C2 C3 0.1(3) . . . . ?
N1 C1 C4 C5 -169.6(2) . . . . ?
N1 C1 C4 C9 71.2(3) . . . . ?
N1 C1 C4 C10 -49.8(3) . . . . ?
N2 N1 C1 C2 -0.2(3) . . . . ?
N2 N1 C1 C4 178.74(19) . . . . ?
N2 C3 C14 C15 -126.3(3) . . . . ?
N2 C3 C14 C16 109.7(3) . . . . ?
N3 N4 C19 C18 0.4(3) . . . . ?
N3 N4 C19 C30 -163.6(3) . . . . ?
N3 N4 C19 C30A 171.4(3) . . . . ?
N3 C17 C18 C19 0.3(3) . . . . ?
N3 C17 C20 C21 -69.0(3) . . . . ?
N3 C17 C20 C25 51.1(3) . . . . ?
N3 C17 C20 C26 170.6(2) . . . . ?
N4 N3 C17 C18 -0.1(3) . . . . ?
N4 N3 C17 C20 -179.3(2) . . . . ?
N4 C19 C30 C31 93.4(6) . . . . ?
N4 C19 C30 C32 -144.6(5) . . . . ?
N4 C19 C30A C31A 59.6(5) . . . . ?
N4 C19 C30A C32A -179.0(4) . . . . ?
N5 N6 C35 C34 0.4(3) . . . . ?
N5 N6 C35 C46 -179.6(2) . . . . ?
N5 C33 C34 C35 0.4(3) . . . . ?
N5 C33 C36 C37 60.9(3) . . . . ?
N5 C33 C36 C41 -59.1(3) . . . . ?
N5 C33 C36 C42 -179.05(19) . . . . ?
N6 N5 C33 C34 -0.1(2) . . . . ?
N6 N5 C33 C36 179.20(18) . . . . ?
N6 C35 C46 C47 -107.1(3) . . . . ?
N6 C35 C46 C48 127.6(2) . . . . ?
C1 N1 N2 Ag2 -178.52(14) . . . . ?
C1 N1 N2 C3 0.3(2) . . . . ?
C1 C2 C3 N2 0.1(3) . . . . ?
C1 C2 C3 C14 179.9(3) . . . . ?
C1 C4 C5 C6 179.0(2) . . . . ?
C1 C4 C9 C8 179.81(19) . . . . ?
C1 C4 C10 C11 -178.39(19) . . . . ?
C2 C1 C4 C5 9.1(3) . . . . ?
C2 C1 C4 C9 -110.1(3) . . . . ?
C2 C1 C4 C10 128.9(3) . . . . ?
C2 C3 C14 C15 53.9(4) . . . . ?
C2 C3 C14 C16 -70.1(4) . . . . ?
C4 C1 C2 C3 -178.8(2) . . . . ?
C4 C5 C6 C7 61.0(3) . . . . ?
C4 C5 C6 C13 -60.2(3) . . . . ?
C4 C10 C11 C12 -59.7(3) . . . . ?
C4 C10 C11 C13 59.5(3) . . . . ?
C5 C4 C9 C8 59.6(2) . . . . ?
C5 C4 C10 C11 -58.1(3) . . . . ?
C5 C6 C7 C8 -60.8(3) . . . . ?
C5 C6 C13 C11 60.8(3) . . . . ?
C6 C7 C8 C9 60.4(3) . . . . ?
C6 C7 C8 C12 -60.0(3) . . . . ?
C7 C6 C13 C11 -60.1(3) . . . . ?
C7 C8 C9 C4 -60.8(3) . . . . ?
C7 C8 C12 C11 60.4(3) . . . . ?
C9 C4 C5 C6 -59.3(3) . . . . ?
C9 C4 C10 C11 58.7(2) . . . . ?
C9 C8 C12 C11 -59.3(3) . . . . ?
C10 C4 C5 C6 57.9(3) . . . . ?
C10 C4 C9 C8 -57.8(2) . . . . ?
C10 C11 C12 C8 59.2(3) . . . . ?
C10 C11 C13 C6 -60.0(3) . . . . ?
C12 C8 C9 C4 59.0(3) . . . . ?
C12 C11 C13 C6 59.3(3) . . . . ?
C13 C6 C7 C8 60.2(3) . . . . ?
C13 C11 C12 C8 -60.0(3) . . . . ?
C17 N3 N4 Ag3 157.08(16) . . . . ?
C17 N3 N4 C19 -0.2(3) . . . . ?
C17 C18 C19 N4 -0.5(3) . . . . ?
C17 C18 C19 C30 158.7(4) . . . . ?
C17 C18 C19 C30A -171.5(3) . . . . ?
C17 C20 C21 C22 -178.8(2) . . . . ?
C17 C20 C25 C24 179.2(3) . . . . ?
C17 C20 C26 C27 -179.8(2) . . . . ?
C18 C17 C20 C21 111.9(3) . . . . ?
C18 C17 C20 C25 -128.0(3) . . . . ?
C18 C17 C20 C26 -8.5(4) . . . . ?
C18 C19 C30 C31 -65.2(8) . . . . ?
C18 C19 C30 C32 56.8(8) . . . . ?
C18 C19 C30A C31A -130.8(4) . . . . ?
C18 C19 C30A C32A -9.4(6) . . . . ?
C20 C17 C18 C19 179.5(2) . . . . ?
C20 C21 C22 C23 -60.1(3) . . . . ?
C20 C21 C22 C28 59.6(3) . . . . ?
C20 C26 C27 C28 -60.7(3) . . . . ?
C20 C26 C27 C29 60.2(3) . . . . ?
C21 C20 C25 C24 -58.6(3) . . . . ?
C21 C20 C26 C27 58.1(3) . . . . ?
C21 C22 C23 C24 59.4(3) . . . . ?
C21 C22 C28 C27 -61.2(3) . . . . ?
C22 C23 C24 C25 -59.3(3) . . . . ?
C22 C23 C24 C29 61.0(3) . . . . ?
C23 C22 C28 C27 58.7(3) . . . . ?
C23 C24 C25 C20 59.6(3) . . . . ?
C23 C24 C29 C27 -60.0(4) . . . . ?
C25 C20 C21 C22 59.0(3) . . . . ?
C25 C20 C26 C27 -58.1(3) . . . . ?
C25 C24 C29 C27 60.4(4) . . . . ?
C26 C20 C21 C22 -57.2(3) . . . . ?
C26 C20 C25 C24 58.0(3) . . . . ?
C26 C27 C28 C22 61.6(3) . . . . ?
C26 C27 C29 C24 -60.4(4) . . . . ?
C28 C22 C23 C24 -60.4(3) . . . . ?
C28 C27 C29 C24 59.5(3) . . . . ?
C29 C24 C25 C20 -60.4(3) . . . . ?
C29 C27 C28 C22 -58.9(3) . . . . ?
C33 N5 N6 Ag1 167.61(14) . . . . ?
C33 N5 N6 C35 -0.1(2) . . . . ?
C33 C34 C35 N6 -0.5(3) . . . . ?
C33 C34 C35 C46 179.5(2) . . . . ?
C33 C36 C37 C38 179.90(18) . . . . ?
C33 C36 C41 C40 -178.93(19) . . . . ?
C33 C36 C42 C43 179.50(18) . . . . ?
C34 C33 C36 C37 -119.9(3) . . . . ?
C34 C33 C36 C41 120.1(3) . . . . ?
C34 C33 C36 C42 0.2(3) . . . . ?
C34 C35 C46 C47 73.0(3) . . . . ?
C34 C35 C46 C48 -52.4(4) . . . . ?
C36 C33 C34 C35 -178.9(2) . . . . ?
C36 C37 C38 C39 59.4(2) . . . . ?
C36 C37 C38 C44 -60.4(2) . . . . ?
C36 C42 C43 C44 59.9(2) . . . . ?
C36 C42 C43 C45 -60.1(2) . . . . ?
C37 C36 C41 C40 59.1(2) . . . . ?
C37 C36 C42 C43 -58.6(2) . . . . ?
C37 C38 C39 C40 -59.5(2) . . . . ?
C37 C38 C44 C43 60.1(3) . . . . ?
C38 C39 C40 C41 59.6(3) . . . . ?
C38 C39 C40 C45 -59.6(2) . . . . ?
C39 C38 C44 C43 -59.8(2) . . . . ?
C39 C40 C41 C36 -59.9(3) . . . . ?
C39 C40 C45 C43 58.9(3) . . . . ?
C41 C36 C37 C38 -58.8(2) . . . . ?
C41 C36 C42 C43 58.7(2) . . . . ?
C41 C40 C45 C43 -60.5(3) . . . . ?
C42 C36 C37 C38 58.8(2) . . . . ?
C42 C36 C41 C40 -58.3(3) . . . . ?
C42 C43 C44 C38 -59.9(3) . . . . ?
C42 C43 C45 C40 60.8(3) . . . . ?
C44 C38 C39 C40 60.4(2) . . . . ?
C44 C43 C45 C40 -59.4(2) . . . . ?
C45 C40 C41 C36 59.4(3) . . . . ?
C45 C43 C44 C38 59.6(2) . . . . ?
