#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:44:41 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179732 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/28/7002832.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_7002832
loop_
_publ_author_name
'Jin, Jun-Cheng'
'Wang, Yao-Yu'
'Zhang, Wei-Hong'
'Lermontov, Anatoly S.'
'Lermontova, Elmira Kh.'
'Shi, Qi-Zhen'
_publ_section_title
;
 New types of di-, tetra-, hexa- and octanuclear Ag(i) complexes
 containing 1,3-adamantanedicarboxylic acid
;
_journal_issue                   46
_journal_name_full               'Dalton Transactions'
_journal_page_first              10181
_journal_page_last               10191
_journal_paper_doi               10.1039/b909309e
_journal_year                    2009
_chemical_formula_moiety         'C48 H48 Ag3 N4 O8, C12 H10 Ag N2, 2(H2 O)'
_chemical_formula_sum            'C60 H62 Ag4 N6 O10'
_chemical_formula_weight         1458.64
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 118.245(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.570(11)
_cell_length_b                   13.665(11)
_cell_length_c                   21.803(14)
_cell_measurement_reflns_used    309
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      14.156
_cell_measurement_theta_min      2.982
_cell_volume                     5661(7)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        APEX2
_computing_molecular_graphics    APEX2
_computing_publication_material  APEX2
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX SMART II'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1506
_diffrn_reflns_av_sigmaI/netI    0.2929
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14231
_diffrn_reflns_theta_full        25.48
_diffrn_reflns_theta_max         25.48
_diffrn_reflns_theta_min         1.85
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.428
_exptl_absorpt_correction_T_max  0.8704
_exptl_absorpt_correction_T_min  0.7632
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.711
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2928
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.736
_refine_diff_density_min         -0.956
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.713
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     349
_refine_ls_number_reflns         5244
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      0.713
_refine_ls_R_factor_all          0.1898
_refine_ls_R_factor_gt           0.0595
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0535P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1156
_refine_ls_wR_factor_ref         0.1426
_reflns_number_gt                1551
_reflns_number_total             5244
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b909309e.txt
_cod_data_source_block           xb2706
_cod_original_cell_volume        5661(6)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7002832
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 1.0000 1.03340(8) 0.2500 0.0595(4) Uani 1 2 d S . .
Ag2 Ag 1.08449(4) 1.02748(5) 0.17861(4) 0.0624(3) Uani 1 1 d . . .
Ag3 Ag 1.0000 1.0000 0.0000 0.0667(4) Uani 1 2 d S . .
O2 O 0.8458(4) 1.0326(6) 0.1758(4) 0.093(3) Uani 1 1 d . . .
O3 O 0.9253(4) 1.0278(5) 0.1409(3) 0.063(2) Uani 1 1 d . . .
O4 O 0.8657(4) 0.9895(6) -0.1048(4) 0.075(2) Uani 1 1 d . . .
O5 O 0.7678(15) 1.011(2) -0.1802(15) 0.078(9) Uani 0.34 1 d P A 1
O5A O 0.7668(8) 0.9304(11) -0.1783(8) 0.091(5) Uani 0.66 1 d P A 2
C1 C 0.8641(6) 1.0267(7) 0.1293(5) 0.054(3) Uani 1 1 d . . .
C2 C 0.8080(7) 0.9744(8) -0.1208(6) 0.054(3) Uani 1 1 d . . .
N1 N 1.0720(4) 0.1889(3) 0.1868(3) 0.060(2) Uani 1 1 d G . .
C11 C 1.1354(3) 0.2396(6) 0.2175(3) 0.085(4) Uani 1 1 d G . .
H11A H 1.1777 0.2058 0.2331 0.102 Uiso 1 1 calc R . .
C12 C 1.1357(4) 0.3406(6) 0.2248(4) 0.101(5) Uani 1 1 d G B .
H12A H 1.1782 0.3745 0.2454 0.121 Uiso 1 1 calc R . .
C13 C 1.0726(6) 0.3910(3) 0.2015(4) 0.082(4) Uani 1 1 d GD . .
C14 C 1.0092(4) 0.3404(5) 0.1709(4) 0.084(4) Uani 1 1 d G B .
H14A H 0.9670 0.3741 0.1553 0.101 Uiso 1 1 calc R . .
C15 C 1.0089(3) 0.2393(5) 0.1635(3) 0.073(3) Uani 1 1 d G . .
H15A H 0.9664 0.2055 0.1430 0.087 Uiso 1 1 calc R B .
C16A C 1.0944(11) 0.4961(12) 0.2145(10) 0.037(5) Uiso 0.49 1 d PD B 2
H16B H 1.1413 0.5154 0.2356 0.045 Uiso 0.49 1 calc PR B 2
C16 C 1.0424(12) 0.4961(14) 0.1929(10) 0.069(7) Uani 0.51 1 d PDU B 1
H16A H 0.9946 0.5104 0.1698 0.083 Uiso 0.51 1 calc PR B 1
N2 N 1.0691(4) 0.8711(3) 0.1971(3) 0.059(2) Uani 1 1 d G . .
C21 C 1.0049(3) 0.8227(6) 0.1644(3) 0.068(3) Uani 1 1 d G . .
H21A H 0.9635 0.8581 0.1395 0.081 Uiso 1 1 calc R . .
C22 C 1.0023(4) 0.7214(6) 0.1689(4) 0.082(4) Uani 1 1 d G B .
H22A H 0.9593 0.6891 0.1470 0.098 Uiso 1 1 calc R . .
C23 C 1.0641(6) 0.6686(3) 0.2062(4) 0.088(5) Uani 1 1 d GD . .
C24 C 1.1284(4) 0.7170(6) 0.2389(3) 0.096(5) Uani 1 1 d G B .
H24A H 1.1697 0.6816 0.2639 0.116 Uiso 1 1 calc R . .
C25 C 1.1309(3) 0.8182(6) 0.2344(3) 0.073(3) Uani 1 1 d G . .
H25A H 1.1739 0.8506 0.2563 0.088 Uiso 1 1 calc R B .
C26A C 1.0408(11) 0.5607(13) 0.1934(10) 0.034(6) Uiso 0.48 1 d PD B 2
H26B H 0.9938 0.5417 0.1728 0.041 Uiso 0.48 1 calc PR B 2
C26 C 1.0915(12) 0.5622(14) 0.2218(11) 0.069(7) Uani 0.52 1 d PD B 1
H26A H 1.1388 0.5467 0.2492 0.083 Uiso 0.52 1 calc PR B 1
C30 C 0.8055(5) 1.0103(7) 0.0563(4) 0.047(3) Uani 1 1 d . A .
C31 C 0.7550(5) 1.0991(7) 0.0326(5) 0.066(3) Uani 1 1 d . . .
H31A H 0.7357 1.1088 0.0642 0.079 Uiso 1 1 calc R . .
H31B H 0.7804 1.1578 0.0328 0.079 Uiso 1 1 calc R . .
C32 C 0.6951(6) 1.0793(9) -0.0416(5) 0.071(4) Uani 1 1 d . A .
H32A H 0.6627 1.1350 -0.0559 0.086 Uiso 1 1 calc R . .
C33 C 0.6554(6) 0.9897(11) -0.0422(6) 0.101(5) Uani 1 1 d . . .
H33A H 0.6159 0.9798 -0.0882 0.122 Uiso 1 1 calc R . .
H33B H 0.6373 0.9967 -0.0093 0.122 Uiso 1 1 calc R . .
C34 C 0.7052(6) 0.9031(8) -0.0223(6) 0.077(4) Uani 1 1 d . A .
H34A H 0.6794 0.8432 -0.0240 0.093 Uiso 1 1 calc R . .
C35 C 0.7662(5) 0.9166(7) 0.0520(5) 0.064(3) Uani 1 1 d . . .
H35A H 0.7478 0.9192 0.0848 0.077 Uiso 1 1 calc R . .
H35B H 0.7981 0.8614 0.0641 0.077 Uiso 1 1 calc R . .
C36 C 0.8339(4) 1.0001(6) 0.0042(4) 0.054(3) Uani 1 1 d . . .
H36A H 0.8663 0.9453 0.0180 0.065 Uiso 1 1 calc R A .
H36B H 0.8603 1.0587 0.0063 0.065 Uiso 1 1 calc R . .
C37 C 0.7768(5) 0.9846(7) -0.0715(5) 0.053(3) Uani 1 1 d . A .
C38 C 0.7263(5) 1.0724(7) -0.0903(5) 0.063(3) Uani 1 1 d . . .
H38A H 0.7517 1.1322 -0.0877 0.075 Uiso 1 1 calc R A .
H38B H 0.6888 1.0653 -0.1378 0.075 Uiso 1 1 calc R . .
C39 C 0.7358(5) 0.8930(8) -0.0724(5) 0.069(3) Uani 1 1 d . . .
H39A H 0.7669 0.8367 -0.0592 0.083 Uiso 1 1 calc R A .
H39B H 0.6980 0.8821 -0.1192 0.083 Uiso 1 1 calc R . .
N3 N 1.0058(3) 0.8426(3) 0.0076(3) 0.051(2) Uani 1 1 d G . .
C41 C 0.9460(2) 0.7859(4) -0.0297(3) 0.059(3) Uani 1 1 d G . .
H41A H 0.9028 0.8159 -0.0571 0.071 Uiso 1 1 calc R . .
C42 C 0.9507(3) 0.6845(4) -0.0261(3) 0.057(3) Uani 1 1 d G . .
H42A H 0.9107 0.6465 -0.0510 0.069 Uiso 1 1 calc R . .
C43 C 1.0152(3) 0.6397(3) 0.0149(3) 0.042(3) Uani 1 1 d G . .
C44 C 1.0750(3) 0.6963(4) 0.0522(3) 0.051(3) Uani 1 1 d G . .
H44A H 1.1181 0.6664 0.0797 0.061 Uiso 1 1 calc R . .
C45 C 1.0703(3) 0.7978(4) 0.0486(3) 0.053(3) Uani 1 1 d G . .
H45A H 1.1103 0.8357 0.0736 0.064 Uiso 1 1 calc R . .
C46 C 1.0243(5) 0.5314(6) 0.0218(5) 0.057(3) Uani 1 1 d . . .
H46A H 1.0655 0.5063 0.0579 0.068 Uiso 1 1 calc R . .
O11 O 0.7202(7) 1.0644(12) 0.1789(7) 0.078(5) Uani 0.55 1 d P C 1
H11B H 0.7569 1.0568 0.1788 0.093 Uiso 0.55 1 d PR C 1
H11C H 0.7342 1.0557 0.2197 0.093 Uiso 0.55 1 d PR C 1
O11A O 0.7278(14) 1.0091(16) 0.1850(14) 0.120(12) Uiso 0.45 1 d P D 2
H11D H 0.7616 1.0127 0.1790 0.144 Uiso 0.45 1 d PR D 2
H11E H 0.7371 1.0114 0.2251 0.144 Uiso 0.45 1 d PR D 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'
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'
Ag Ag -0.8971 1.1015 '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
O3 Ag1 O3 176.0(3) 2_755 . ?
O3 Ag1 Ag2 74.8(2) 2_755 2_755 ?
O3 Ag1 Ag2 105.1(2) . 2_755 ?
O3 Ag1 Ag2 105.1(2) 2_755 . ?
O3 Ag1 Ag2 74.8(2) . . ?
Ag2 Ag1 Ag2 176.80(5) 2_755 . ?
N2 Ag2 N1 153.7(2) . 1_565 ?
N2 Ag2 O4 100.7(2) . 5_775 ?
N1 Ag2 O4 105.4(2) 1_565 5_775 ?
N2 Ag2 Ag1 75.22(16) . . ?
N1 Ag2 Ag1 78.46(17) 1_565 . ?
O4 Ag2 Ag1 169.7(2) 5_775 . ?
N3 Ag3 N3 180.0 . 5_775 ?
N3 Ag3 O4 90.7(2) . . ?
N3 Ag3 O4 89.3(2) 5_775 . ?
C1 O3 Ag1 113.6(7) . . ?
C2 O4 Ag2 124.2(8) . 5_775 ?
C2 O4 Ag3 147.4(8) . . ?
Ag2 O4 Ag3 85.9(3) 5_775 . ?
O3 C1 O2 123.8(10) . . ?
O3 C1 C30 120.3(10) . . ?
O2 C1 C30 115.8(10) . . ?
O4 C2 O5 111.0(18) . . ?
O4 C2 O5A 122.1(13) . . ?
O5 C2 O5A 51.1(12) . . ?
O4 C2 C37 123.4(10) . . ?
O5 C2 C37 111.5(15) . . ?
O5A C2 C37 113.4(11) . . ?
C11 N1 C15 120.0 . . ?
C11 N1 Ag2 113.6(4) . 1_545 ?
C15 N1 Ag2 126.4(4) . 1_545 ?
N1 C11 C12 120.0 . . ?
N1 C11 H11A 120.0 . . ?
C12 C11 H11A 120.0 . . ?
C13 C12 C11 120.0 . . ?
C13 C12 H12A 120.0 . . ?
C11 C12 H12A 120.0 . . ?
C12 C13 C14 120.0 . . ?
C12 C13 C16A 104.0(10) . . ?
C14 C13 C16A 135.9(10) . . ?
C12 C13 C16 141.8(10) . . ?
C14 C13 C16 98.1(10) . . ?
C15 C14 C13 120.0 . . ?
C15 C14 H14A 120.0 . . ?
C13 C14 H14A 120.0 . . ?
C14 C15 N1 120.0 . . ?
C14 C15 H15A 120.0 . . ?
N1 C15 H15A 120.0 . . ?
C26A C16A C13 115.0(17) . . ?
C26A C16A H16B 122.5 . . ?
C13 C16A H16B 122.5 . . ?
C26 C16 C13 113(2) . . ?
C26 C16 H16A 123.7 . . ?
C13 C16 H16A 123.7 . . ?
C21 N2 C25 120.0 . . ?
C21 N2 Ag2 124.1(4) . . ?
C25 N2 Ag2 114.9(5) . . ?
C22 C21 N2 120.0 . . ?
C22 C21 H21A 120.0 . . ?
N2 C21 H21A 120.0 . . ?
C23 C22 C21 120.0 . . ?
C23 C22 H22A 120.0 . . ?
C21 C22 H22A 120.0 . . ?
C24 C23 C22 120.0 . . ?
C24 C23 C26A 135.2(10) . . ?
C22 C23 C26A 104.6(10) . . ?
C24 C23 C26 98.6(10) . . ?
C22 C23 C26 141.1(10) . . ?
C23 C24 C25 120.0 . . ?
C23 C24 H24A 120.0 . . ?
C25 C24 H24A 120.0 . . ?
C24 C25 N2 120.0 . . ?
C24 C25 H25A 120.0 . . ?
N2 C25 H25A 120.0 . . ?
C16A C26A C23 114.3(18) . . ?
C16A C26A H26B 122.8 . . ?
C23 C26A H26B 122.8 . . ?
C16 C26 C23 114(2) . . ?
C16 C26 H26A 123.0 . . ?
C23 C26 H26A 123.0 . . ?
C1 C30 C35 110.9(8) . . ?
C1 C30 C36 111.5(8) . . ?
C35 C30 C36 106.7(8) . . ?
C1 C30 C31 110.0(8) . . ?
C35 C30 C31 110.9(8) . . ?
C36 C30 C31 106.8(7) . . ?
C32 C31 C30 108.7(8) . . ?
C32 C31 H31A 109.9 . . ?
C30 C31 H31A 109.9 . . ?
C32 C31 H31B 109.9 . . ?
C30 C31 H31B 109.9 . . ?
H31A C31 H31B 108.3 . . ?
C33 C32 C38 112.9(10) . . ?
C33 C32 C31 110.3(9) . . ?
C38 C32 C31 108.5(9) . . ?
C33 C32 H32A 108.3 . . ?
C38 C32 H32A 108.3 . . ?
C31 C32 H32A 108.3 . . ?
C32 C33 C34 108.2(9) . . ?
C32 C33 H33A 110.1 . . ?
C34 C33 H33A 110.1 . . ?
C32 C33 H33B 110.1 . . ?
C34 C33 H33B 110.1 . . ?
H33A C33 H33B 108.4 . . ?
C33 C34 C39 110.7(10) . . ?
C33 C34 C35 110.1(9) . . ?
C39 C34 C35 108.6(9) . . ?
C33 C34 H34A 109.1 . . ?
C39 C34 H34A 109.1 . . ?
C35 C34 H34A 109.1 . . ?
C30 C35 C34 110.0(8) . . ?
C30 C35 H35A 109.7 . . ?
C34 C35 H35A 109.7 . . ?
C30 C35 H35B 109.7 . . ?
C34 C35 H35B 109.7 . . ?
H35A C35 H35B 108.2 . . ?
C30 C36 C37 114.2(7) . . ?
C30 C36 H36A 108.7 . . ?
C37 C36 H36A 108.7 . . ?
C30 C36 H36B 108.7 . . ?
C37 C36 H36B 108.7 . . ?
H36A C36 H36B 107.6 . . ?
C2 C37 C39 111.3(8) . . ?
C2 C37 C36 111.9(8) . . ?
C39 C37 C36 107.0(8) . . ?
C2 C37 C38 112.1(9) . . ?
C39 C37 C38 107.7(8) . . ?
C36 C37 C38 106.5(7) . . ?
C32 C38 C37 110.9(8) . . ?
C32 C38 H38A 109.5 . . ?
C37 C38 H38A 109.5 . . ?
C32 C38 H38B 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 108.1 . . ?
C37 C39 C34 111.1(8) . . ?
C37 C39 H39A 109.4 . . ?
C34 C39 H39A 109.4 . . ?
C37 C39 H39B 109.4 . . ?
C34 C39 H39B 109.4 . . ?
H39A C39 H39B 108.0 . . ?
C41 N3 C45 120.0 . . ?
C41 N3 Ag3 120.5(3) . . ?
C45 N3 Ag3 119.5(3) . . ?
C42 C41 N3 120.0 . . ?
C42 C41 H41A 120.0 . . ?
N3 C41 H41A 120.0 . . ?
C41 C42 C43 120.0 . . ?
C41 C42 H42A 120.0 . . ?
C43 C42 H42A 120.0 . . ?
C44 C43 C42 120.0 . . ?
C44 C43 C46 116.9(6) . . ?
C42 C43 C46 123.1(6) . . ?
C43 C44 C45 120.0 . . ?
C43 C44 H44A 120.0 . . ?
C45 C44 H44A 120.0 . . ?
C44 C45 N3 120.0 . . ?
C44 C45 H45A 120.0 . . ?
N3 C45 H45A 120.0 . . ?
C46 C46 C43 122.8(11) 5_765 . ?
C46 C46 H46A 118.6 5_765 . ?
C43 C46 H46A 118.6 . . ?
H11B O11 H11C 97.5 . . ?
H11D O11A H11E 113.5 . . ?
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 O3 2.152(6) 2_755 ?
Ag1 O3 2.152(6) . ?
Ag1 Ag2 2.9042(15) 2_755 ?
Ag1 Ag2 2.9042(15) . ?
Ag2 N2 2.229(5) . ?
Ag2 N1 2.240(5) 1_565 ?
Ag2 O4 2.333(7) 5_775 ?
Ag3 N3 2.156(4) . ?
Ag3 N3 2.156(4) 5_775 ?
Ag3 O4 2.715(8) . ?
O2 C1 1.254(11) . ?
O3 C1 1.221(11) . ?
O4 C2 1.140(11) . ?
O4 Ag2 2.333(7) 5_775 ?
O5 C2 1.27(2) . ?
O5A C2 1.293(16) . ?
C1 C30 1.509(12) . ?
C2 C37 1.521(13) . ?
N1 C11 1.3900 . ?
N1 C15 1.3900 . ?
N1 Ag2 2.240(5) 1_545 ?
C11 C12 1.3900 . ?
C11 H11A 0.9300 . ?
C12 C13 1.3900 . ?
C12 H12A 0.9300 . ?
C13 C14 1.3900 . ?
C13 C16A 1.494(18) . ?
C13 C16 1.55(2) . ?
C14 C15 1.3900 . ?
C14 H14A 0.9300 . ?
C15 H15A 0.9300 . ?
C16A C26A 1.35(2) . ?
C16A H16B 0.9300 . ?
C16 C26 1.30(2) . ?
C16 H16A 0.9300 . ?
N2 C21 1.3900 . ?
N2 C25 1.3900 . ?
C21 C22 1.3900 . ?
C21 H21A 0.9300 . ?
C22 C23 1.3900 . ?
C22 H22A 0.9300 . ?
C23 C24 1.3900 . ?
C23 C26A 1.539(19) . ?
C23 C26 1.545(19) . ?
C24 C25 1.3900 . ?
C24 H24A 0.9300 . ?
C25 H25A 0.9300 . ?
C26A H26B 0.9300 . ?
C26 H26A 0.9300 . ?
C30 C35 1.514(11) . ?
C30 C36 1.532(12) . ?
C30 C31 1.547(11) . ?
C31 C32 1.542(12) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C33 1.491(14) . ?
C32 C38 1.506(12) . ?
C32 H32A 0.9800 . ?
C33 C34 1.517(14) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 C39 1.528(12) . ?
C34 C35 1.539(12) . ?
C34 H34A 0.9800 . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 C37 1.537(11) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 C39 1.527(12) . ?
C37 C38 1.541(12) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
N3 C41 1.3900 . ?
N3 C45 1.3900 . ?
C41 C42 1.3900 . ?
C41 H41A 0.9300 . ?
C42 C43 1.3900 . ?
C42 H42A 0.9300 . ?
C43 C44 1.3900 . ?
C43 C46 1.491(9) . ?
C44 C45 1.3900 . ?
C44 H44A 0.9300 . ?
C45 H45A 0.9300 . ?
C46 C46 1.340(16) 5_765 ?
C46 H46A 0.9300 . ?
O11 H11B 0.8000 . ?
O11 H11C 0.8000 . ?
O11 H11D 1.1385 . ?
O11 H11E 1.1497 . ?
O11A H11B 0.9570 . ?
O11A H11C 0.9485 . ?
O11A H11D 0.7998 . ?
O11A H11E 0.7999 . ?
