#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:17:52 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180386 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/55/7205515.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_7205515
loop_
_publ_author_name
'Fenton, Hazel'
'Tidmarsh, Ian S.'
'Ward, Michael D.'
_publ_section_title
;
 Luminescent silver(i) coordination networks based on
 bis-(3,5-dimethylpyrazolyl)naphthalene ligands
;
_journal_issue                   5
_journal_name_full               CrystEngComm
_journal_page_first              1432
_journal_paper_doi               10.1039/c0ce00690d
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C68 H75 Ag2 N15 O6'
_chemical_formula_weight         1414.17
_chemical_name_systematic
;
?
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.3239(18)
_cell_length_b                   19.566(2)
_cell_length_c                   20.852(2)
_cell_measurement_reflns_used    9636
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.37
_cell_measurement_theta_min      2.30
_cell_volume                     6660.0(12)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0414
_diffrn_reflns_av_sigmaI/netI    0.0241
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            119532
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    0.651
_exptl_absorpt_correction_T_max  0.8808
_exptl_absorpt_correction_T_min  0.8287
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2920
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.988
_refine_diff_density_min         -0.552
_refine_diff_density_rms         0.097
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.01(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     842
_refine_ls_number_reflns         13604
_refine_ls_number_restraints     52
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0423
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0727P)²+8.2884P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1178
_refine_ls_wR_factor_ref         0.1218
_reflns_number_gt                12662
_reflns_number_total             13604
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CE00690D.TXT
_cod_data_source_block           imw1191p212121
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      'P2(1)2(1)2(1) '
_cod_database_code               7205515
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.711946(19) 0.248082(17) 0.753856(15) 0.03160(9) Uani 1 1 d . . .
Ag2 Ag 1.030610(19) 0.025699(18) 0.985514(16) 0.03145(9) Uani 1 1 d . . .
N111 N 0.8867(2) 0.30738(19) 0.79640(18) 0.0280(8) Uani 1 1 d . . .
N112 N 0.8065(2) 0.32236(19) 0.78470(17) 0.0268(7) Uani 1 1 d . . .
C115 C 0.9254(3) 0.3614(2) 0.8236(2) 0.0299(9) Uani 1 1 d . . .
C114 C 0.8696(3) 0.4126(2) 0.8304(2) 0.0287(9) Uani 1 1 d . . .
H114 H 0.8782 0.4567 0.8483 0.034 Uiso 1 1 calc R . .
C113 C 0.7965(3) 0.3860(2) 0.8051(2) 0.0292(9) Uani 1 1 d . . .
C117 C 1.0141(3) 0.3583(3) 0.8420(3) 0.0412(12) Uani 1 1 d . . .
H11A H 1.0226 0.3212 0.8728 0.062 Uiso 1 1 calc R . .
H11B H 1.0303 0.4018 0.8616 0.062 Uiso 1 1 calc R . .
H11C H 1.0474 0.3500 0.8037 0.062 Uiso 1 1 calc R . .
C116 C 0.7151(3) 0.4211(3) 0.7995(2) 0.0375(10) Uani 1 1 d . . .
H11D H 0.6754 0.3899 0.7799 0.056 Uiso 1 1 calc R . .
H11E H 0.7208 0.4620 0.7727 0.056 Uiso 1 1 calc R . .
H11F H 0.6960 0.4343 0.8423 0.056 Uiso 1 1 calc R . .
C118 C 0.9173(3) 0.2396(2) 0.7805(2) 0.0297(9) Uani 1 1 d . . .
H11G H 0.9778 0.2412 0.7774 0.036 Uiso 1 1 calc R . .
H11H H 0.8956 0.2259 0.7380 0.036 Uiso 1 1 calc R . .
N121 N 0.8470(2) 0.05568(18) 1.03601(18) 0.0270(7) Uani 1 1 d . . .
N122 N 0.9277(2) 0.05069(17) 1.05165(17) 0.0240(7) Uani 1 1 d . . .
C125 C 0.8030(3) 0.0819(2) 1.0852(2) 0.0304(9) Uani 1 1 d . . .
C124 C 0.8577(3) 0.0938(2) 1.1349(2) 0.0324(10) Uani 1 1 d . . .
H124 H 0.8457 0.1119 1.1761 0.039 Uiso 1 1 calc R . .
C123 C 0.9339(3) 0.0737(2) 1.1115(2) 0.0283(9) Uani 1 1 d . . .
C127 C 0.7131(3) 0.0934(3) 1.0822(3) 0.0428(11) Uani 1 1 d . . .
H12A H 0.7013 0.1306 1.0521 0.064 Uiso 1 1 calc R . .
H12B H 0.6927 0.1055 1.1249 0.064 Uiso 1 1 calc R . .
H12C H 0.6859 0.0515 1.0675 0.064 Uiso 1 1 calc R . .
C126 C 1.0158(3) 0.0761(3) 1.1431(2) 0.0367(11) Uani 1 1 d . . .
H12D H 1.0479 0.0360 1.1303 0.055 Uiso 1 1 calc R . .
H12E H 1.0087 0.0761 1.1898 0.055 Uiso 1 1 calc R . .
H12F H 1.0446 0.1178 1.1300 0.055 Uiso 1 1 calc R . .
C128 C 0.8208(3) 0.0369(2) 0.9721(2) 0.0302(9) Uani 1 1 d . . .
H12G H 0.7605 0.0315 0.9719 0.036 Uiso 1 1 calc R . .
H12H H 0.8452 -0.0079 0.9609 0.036 Uiso 1 1 calc R . .
C131 C 0.8927(2) 0.1867(2) 0.8299(2) 0.0268(9) Uani 1 1 d . . .
C132 C 0.8787(3) 0.2053(2) 0.8921(2) 0.0297(9) Uani 1 1 d . . .
H132 H 0.8839 0.2520 0.9041 0.036 Uiso 1 1 calc R . .
C133 C 0.8564(3) 0.1563(2) 0.9389(2) 0.0287(9) Uani 1 1 d . . .
H133 H 0.8495 0.1701 0.9822 0.034 Uiso 1 1 calc R . .
C134 C 0.8447(2) 0.0885(2) 0.9220(2) 0.0253(8) Uani 1 1 d . . .
C135 C 0.8570(2) 0.0679(2) 0.8574(2) 0.0256(8) Uani 1 1 d . . .
C136 C 0.8848(2) 0.1171(2) 0.8107(2) 0.0260(8) Uani 1 1 d . . .
C141 C 0.8416(3) -0.0008(2) 0.8366(2) 0.0289(9) Uani 1 1 d . . .
H141 H 0.8199 -0.0330 0.8661 0.035 Uiso 1 1 calc R . .
C142 C 0.8576(3) -0.0208(2) 0.7747(2) 0.0339(9) Uani 1 1 d . . .
H142 H 0.8468 -0.0665 0.7617 0.041 Uiso 1 1 calc R . .
C143 C 0.8904(3) 0.0268(3) 0.7304(2) 0.0336(9) Uani 1 1 d . . .
H143 H 0.9042 0.0125 0.6882 0.040 Uiso 1 1 calc R . .
C144 C 0.9025(2) 0.0940(2) 0.7484(2) 0.0307(9) Uani 1 1 d . . .
H144 H 0.9233 0.1255 0.7178 0.037 Uiso 1 1 calc R . .
N211 N 0.6229(2) 0.29390(19) 0.62072(18) 0.0317(8) Uani 1 1 d . . .
N212 N 0.6130(2) 0.27389(18) 0.68300(18) 0.0292(8) Uani 1 1 d . . .
C215 C 0.5505(3) 0.3140(2) 0.5940(2) 0.0392(11) Uani 1 1 d . . .
C214 C 0.4924(3) 0.3074(2) 0.6406(3) 0.0414(12) Uani 1 1 d . . .
H214 H 0.4358 0.3179 0.6369 0.050 Uiso 1 1 calc R . .
C213 C 0.5332(3) 0.2819(2) 0.6953(2) 0.0335(9) Uani 1 1 d . . .
C217 C 0.5465(4) 0.3365(3) 0.5259(3) 0.0572(16) Uani 1 1 d . . .
H21A H 0.5855 0.3738 0.5189 0.086 Uiso 1 1 calc R . .
H21B H 0.4909 0.3524 0.5162 0.086 Uiso 1 1 calc R . .
H21C H 0.5603 0.2980 0.4978 0.086 Uiso 1 1 calc R . .
C216 C 0.4984(3) 0.2626(3) 0.7582(3) 0.0454(12) Uani 1 1 d . . .
H21D H 0.4618 0.2233 0.7529 0.068 Uiso 1 1 calc R . .
H21E H 0.4674 0.3012 0.7758 0.068 Uiso 1 1 calc R . .
H21F H 0.5428 0.2505 0.7877 0.068 Uiso 1 1 calc R . .
C218 C 0.7023(3) 0.2857(2) 0.5913(2) 0.0354(10) Uani 1 1 d . . .
H21G H 0.6961 0.2888 0.5442 0.042 Uiso 1 1 calc R . .
H21H H 0.7233 0.2394 0.6014 0.042 Uiso 1 1 calc R . .
N221 N 0.9168(2) 0.56216(19) 0.66202(18) 0.0271(8) Uani 1 1 d . . .
N222 N 0.9309(2) 0.58438(18) 0.60181(17) 0.0267(7) Uani 1 1 d . . .
C225 C 0.8888(3) 0.6110(2) 0.7013(2) 0.0320(9) Uani 1 1 d . . .
C224 C 0.8828(3) 0.6694(2) 0.6647(2) 0.0340(10) Uani 1 1 d . . .
H224 H 0.8644 0.7132 0.6783 0.041 Uiso 1 1 calc R . .
C223 C 0.9093(3) 0.6510(2) 0.6034(2) 0.0313(9) Uani 1 1 d . . .
C227 C 0.8674(4) 0.5992(3) 0.7707(2) 0.0447(12) Uani 1 1 d . . .
H22A H 0.8236 0.5651 0.7737 0.067 Uiso 1 1 calc R . .
H22B H 0.8488 0.6422 0.7900 0.067 Uiso 1 1 calc R . .
H22C H 0.9159 0.5827 0.7937 0.067 Uiso 1 1 calc R . .
C226 C 0.9147(3) 0.6937(3) 0.5436(2) 0.0428(12) Uani 1 1 d . . .
H22D H 0.9460 0.6689 0.5109 0.064 Uiso 1 1 calc R . .
H22E H 0.9422 0.7369 0.5534 0.064 Uiso 1 1 calc R . .
H22F H 0.8594 0.7030 0.5275 0.064 Uiso 1 1 calc R . .
C228 C 0.9394(3) 0.4909(2) 0.6776(2) 0.0284(9) Uani 1 1 d . . .
H22G H 0.9445 0.4865 0.7247 0.034 Uiso 1 1 calc R . .
H22H H 0.9938 0.4810 0.6587 0.034 Uiso 1 1 calc R . .
C231 C 0.7652(3) 0.3382(2) 0.61286(19) 0.0279(9) Uani 1 1 d . . .
C232 C 0.7406(3) 0.4040(2) 0.6248(2) 0.0296(9) Uani 1 1 d . . .
H232 H 0.6845 0.4159 0.6199 0.036 Uiso 1 1 calc R . .
C233 C 0.7978(3) 0.4545(2) 0.6442(2) 0.0278(9) Uani 1 1 d . . .
H233 H 0.7800 0.5003 0.6506 0.033 Uiso 1 1 calc R . .
C234 C 0.8790(3) 0.4379(2) 0.65381(19) 0.0251(8) Uani 1 1 d . . .
C235 C 0.9060(3) 0.3694(2) 0.64262(19) 0.0251(8) Uani 1 1 d . . .
C236 C 0.8489(3) 0.3200(2) 0.62016(19) 0.0277(9) Uani 1 1 d . . .
C241 C 0.9881(3) 0.3496(2) 0.6537(2) 0.0307(9) Uani 1 1 d . . .
H241 H 1.0256 0.3823 0.6701 0.037 Uiso 1 1 calc R . .
C242 C 1.0152(3) 0.2843(3) 0.6415(2) 0.0365(11) Uani 1 1 d . . .
H242 H 1.0707 0.2725 0.6494 0.044 Uiso 1 1 calc R . .
C243 C 0.9606(3) 0.2353(2) 0.6175(2) 0.0386(11) Uani 1 1 d . . .
H243 H 0.9789 0.1901 0.6088 0.046 Uiso 1 1 calc R . .
C244 C 0.8792(3) 0.2536(3) 0.6065(2) 0.0344(9) Uani 1 1 d . . .
H244 H 0.8428 0.2205 0.5892 0.041 Uiso 1 1 calc R . .
N311 N 0.6648(2) 0.08819(18) 0.78909(18) 0.0290(8) Uani 1 1 d . . .
N312 N 0.6747(2) 0.15427(19) 0.80982(18) 0.0298(8) Uani 1 1 d . . .
C315 C 0.6363(3) 0.0465(2) 0.8357(2) 0.0335(10) Uani 1 1 d . . .
C314 C 0.6264(3) 0.0877(3) 0.8895(2) 0.0365(10) Uani 1 1 d . . .
H314 H 0.6070 0.0740 0.9305 0.044 Uiso 1 1 calc R . .
C313 C 0.6507(3) 0.1532(2) 0.8710(2) 0.0316(9) Uani 1 1 d . . .
C317 C 0.6199(3) -0.0277(3) 0.8261(3) 0.0482(12) Uani 1 1 d . . .
H31A H 0.5769 -0.0334 0.7938 0.072 Uiso 1 1 calc R . .
H31B H 0.6020 -0.0480 0.8667 0.072 Uiso 1 1 calc R . .
H31C H 0.6701 -0.0504 0.8115 0.072 Uiso 1 1 calc R . .
C316 C 0.6524(3) 0.2178(3) 0.9095(2) 0.0414(11) Uani 1 1 d . . .
H31D H 0.6701 0.2558 0.8821 0.062 Uiso 1 1 calc R . .
H31E H 0.6907 0.2127 0.9453 0.062 Uiso 1 1 calc R . .
H31F H 0.5974 0.2273 0.9261 0.062 Uiso 1 1 calc R . .
C318 C 0.6884(3) 0.0718(3) 0.7235(2) 0.0336(10) Uani 1 1 d . . .
H31G H 0.6992 0.0221 0.7206 0.040 Uiso 1 1 calc R . .
H31H H 0.7402 0.0959 0.7134 0.040 Uiso 1 1 calc R . .
C321 C 0.6253(3) 0.0907(2) 0.6735(2) 0.0261(8) Uani 1 1 d . . .
C322 C 0.5439(3) 0.0951(2) 0.6891(2) 0.0274(8) Uani 1 1 d . . .
H322 H 0.5269 0.0864 0.7319 0.033 Uiso 1 1 calc R . .
C323 C 0.4846(3) 0.1124(2) 0.6420(2) 0.0306(9) Uani 1 1 d . . .
H323 H 0.4284 0.1139 0.6536 0.037 Uiso 1 1 calc R . .
C324 C 0.5066(3) 0.1268(2) 0.5804(2) 0.0296(9) Uani 1 1 d . . .
C325 C 0.5909(3) 0.1251(2) 0.5628(2) 0.0284(9) Uani 1 1 d . . .
C326 C 0.6509(3) 0.1045(2) 0.6090(2) 0.0272(9) Uani 1 1 d . . .
C331 C 0.6196(3) 0.1429(2) 0.5002(2) 0.0343(10) Uani 1 1 d . . .
H331 H 0.5818 0.1592 0.4691 0.041 Uiso 1 1 calc R . .
C332 C 0.7009(3) 0.1368(2) 0.4843(2) 0.0397(11) Uani 1 1 d . . .
H332 H 0.7185 0.1490 0.4424 0.048 Uiso 1 1 calc R . .
C333 C 0.7581(3) 0.1131(2) 0.5285(2) 0.0377(11) Uani 1 1 d . . .
H333 H 0.8139 0.1080 0.5165 0.045 Uiso 1 1 calc R . .
C334 C 0.7335(3) 0.0972(2) 0.5893(2) 0.0328(10) Uani 1 1 d . . .
H334 H 0.7728 0.0808 0.6192 0.039 Uiso 1 1 calc R . .
N411 N 1.1353(2) -0.04040(19) 1.02127(18) 0.0315(8) Uani 1 1 d . . .
N412 N 1.1336(2) -0.1078(2) 1.03956(19) 0.0347(9) Uani 1 1 d . . .
C413 C 1.2069(3) -0.1281(3) 1.0639(2) 0.0408(11) Uani 1 1 d . . .
C414 C 1.2575(3) -0.0721(3) 1.0609(2) 0.0427(12) Uani 1 1 d . . .
H414 H 1.3131 -0.0701 1.0741 0.051 Uiso 1 1 calc R . .
C415 C 1.2111(3) -0.0185(3) 1.0346(2) 0.0366(10) Uani 1 1 d . . .
C416 C 1.2205(4) -0.1984(3) 1.0879(3) 0.0583(16) Uani 1 1 d . . .
H41F H 1.1837 -0.2073 1.1241 0.087 Uiso 1 1 calc R . .
H41G H 1.2774 -0.2033 1.1020 0.087 Uiso 1 1 calc R . .
H41H H 1.2093 -0.2312 1.0535 0.087 Uiso 1 1 calc R . .
C417 C 1.2356(3) 0.0542(3) 1.0205(3) 0.0499(13) Uani 1 1 d . . .
H41A H 1.2348 0.0619 0.9740 0.075 Uiso 1 1 calc R . .
H41B H 1.2909 0.0626 1.0370 0.075 Uiso 1 1 calc R . .
H41C H 1.1969 0.0855 1.0412 0.075 Uiso 1 1 calc R . .
C418 C 1.0576(3) -0.1459(3) 1.0305(2) 0.0378(11) Uani 1 1 d . . .
H41D H 1.0692 -0.1955 1.0335 0.045 Uiso 1 1 calc R . .
H41E H 1.0358 -0.1365 0.9871 0.045 Uiso 1 1 calc R . .
N1 N 0.7620(2) 0.8168(2) 0.77963(19) 0.0353(9) Uani 1 1 d . . .
O1 O 0.7926(3) 0.8327(3) 0.8316(2) 0.0703(14) Uani 1 1 d . . .
O2 O 0.6878(3) 0.8094(3) 0.7762(3) 0.0700(13) Uani 1 1 d . . .
O3 O 0.8044(3) 0.8152(2) 0.7300(2) 0.0596(11) Uani 1 1 d . . .
N2 N 0.5260(2) 0.96621(16) 0.05548(15) 0.0573(12) Uani 1 1 d D . .
O4X O 0.4549(3) 0.9876(3) 0.0641(3) 0.0855(17) Uiso 0.849(6) 1 d PDU A 1
O5X O 0.5570(3) 0.9250(3) 0.0941(2) 0.0746(15) Uiso 0.849(6) 1 d PDU A 1
O6X O 0.5658(3) 0.9852(2) 0.0076(2) 0.0608(13) Uiso 0.849(6) 1 d PDU A 1
O4Y O 0.4917(10) 1.0078(4) 0.0190(6) 0.076(2) Uiso 0.151(6) 1 d PDU A 2
O5Y O 0.4888(10) 0.9437(7) 0.1033(4) 0.077(2) Uiso 0.151(6) 1 d PDU A 2
O6Y O 0.5974(3) 0.9469(7) 0.0440(8) 0.071(2) Uiso 0.151(6) 1 d PDU A 2
N1SX N 0.6616(9) 0.6057(7) 0.7167(7) 0.063(3) Uiso 0.402(3) 1 d PDU B 1
C2SX C 0.6714(8) 0.6540(6) 0.6860(6) 0.037(2) Uiso 0.402(3) 1 d PDU B 1
C3SX C 0.6800(7) 0.7168(5) 0.6398(5) 0.0264(19) Uiso 0.402(3) 1 d PDU B 1
H3S1 H 0.7188 0.7057 0.6055 0.040 Uiso 0.402(3) 1 calc PR B 1
H3S2 H 0.7001 0.7564 0.6639 0.040 Uiso 0.402(3) 1 calc PR B 1
H3S3 H 0.6264 0.7275 0.6211 0.040 Uiso 0.402(3) 1 calc PR B 1
N1SY N 0.5535(8) 0.6617(6) 0.5129(7) 0.045(3) Uiso 0.330(7) 1 d PD C 2
C2SY C 0.5661(8) 0.6150(6) 0.5380(6) 0.028(2) Uiso 0.330(7) 1 d PDU C 2
C3SY C 0.5797(8) 0.5476(6) 0.5716(7) 0.028(2) Uiso 0.330(7) 1 d PDU C 2
H3S4 H 0.5277 0.5311 0.5891 0.043 Uiso 0.330(7) 1 calc PR C 2
H3S5 H 0.6191 0.5539 0.6066 0.043 Uiso 0.330(7) 1 calc PR C 2
H3S6 H 0.6013 0.5142 0.5410 0.043 Uiso 0.330(7) 1 calc PR C 2
N1SZ N 0.6208(12) 0.5550(10) 0.7123(8) 0.058(3) Uiso 0.268(7) 1 d PDU D 3
C2SZ C 0.6012(10) 0.5457(8) 0.6662(7) 0.030(3) Uiso 0.268(7) 1 d PDU D 3
C3SZ C 0.5794(10) 0.5365(9) 0.5980(8) 0.031(2) Uiso 0.268(7) 1 d PDU D 3
H3S7 H 0.5589 0.5798 0.5807 0.046 Uiso 0.268(7) 1 calc PR D 3
H3S8 H 0.5367 0.5014 0.5943 0.046 Uiso 0.268(7) 1 calc PR D 3
H3S9 H 0.6279 0.5221 0.5739 0.046 Uiso 0.268(7) 1 calc PR D 3
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
N112 Ag1 N212 122.99(13) . . ?
N112 Ag1 N312 124.80(13) . . ?
N212 Ag1 N312 109.20(13) . . ?
N122 Ag2 N222 126.99(12) . 3_746 ?
N122 Ag2 N411 119.32(12) . . ?
N222 Ag2 N411 110.32(13) 3_746 . ?
C115 N111 N112 110.8(4) . . ?
C115 N111 C118 130.3(4) . . ?
N112 N111 C118 118.9(4) . . ?
C113 N112 N111 105.2(4) . . ?
C113 N112 Ag1 128.5(3) . . ?
N111 N112 Ag1 125.5(3) . . ?
N111 C115 C114 107.8(4) . . ?
N111 C115 C117 121.8(4) . . ?
C114 C115 C117 130.4(5) . . ?
C115 C114 C113 104.8(4) . . ?
C115 C114 H114 127.6 . . ?
C113 C114 H114 127.6 . . ?
N112 C113 C114 111.4(4) . . ?
N112 C113 C116 121.0(4) . . ?
C114 C113 C116 127.7(4) . . ?
C115 C117 H11A 109.5 . . ?
C115 C117 H11B 109.5 . . ?
H11A C117 H11B 109.5 . . ?
C115 C117 H11C 109.5 . . ?
H11A C117 H11C 109.5 . . ?
H11B C117 H11C 109.5 . . ?
C113 C116 H11D 109.5 . . ?
C113 C116 H11E 109.5 . . ?
H11D C116 H11E 109.5 . . ?
C113 C116 H11F 109.5 . . ?
H11D C116 H11F 109.5 . . ?
H11E C116 H11F 109.5 . . ?
N111 C118 C131 112.2(4) . . ?
N111 C118 H11G 109.2 . . ?
C131 C118 H11G 109.2 . . ?
N111 C118 H11H 109.2 . . ?
C131 C118 H11H 109.2 . . ?
H11G C118 H11H 107.9 . . ?
C125 N121 N122 111.0(4) . . ?
C125 N121 C128 129.6(4) . . ?
N122 N121 C128 119.2(3) . . ?
C123 N122 N121 105.9(3) . . ?
C123 N122 Ag2 126.7(3) . . ?
N121 N122 Ag2 126.7(3) . . ?
N121 C125 C124 106.8(4) . . ?
N121 C125 C127 123.3(4) . . ?
C124 C125 C127 129.9(4) . . ?
C125 C124 C123 105.4(4) . . ?
C125 C124 H124 127.3 . . ?
C123 C124 H124 127.3 . . ?
N122 C123 C124 110.9(4) . . ?
N122 C123 C126 119.6(4) . . ?
C124 C123 C126 129.6(4) . . ?
C125 C127 H12A 109.5 . . ?
C125 C127 H12B 109.5 . . ?
H12A C127 H12B 109.5 . . ?
C125 C127 H12C 109.5 . . ?
H12A C127 H12C 109.5 . . ?
H12B C127 H12C 109.5 . . ?
C123 C126 H12D 109.5 . . ?
C123 C126 H12E 109.5 . . ?
H12D C126 H12E 109.5 . . ?
C123 C126 H12F 109.5 . . ?
H12D C126 H12F 109.5 . . ?
H12E C126 H12F 109.5 . . ?
N121 C128 C134 113.1(4) . . ?
N121 C128 H12G 109.0 . . ?
C134 C128 H12G 109.0 . . ?
N121 C128 H12H 109.0 . . ?
C134 C128 H12H 109.0 . . ?
H12G C128 H12H 107.8 . . ?
C132 C131 C136 120.5(4) . . ?
C132 C131 C118 120.5(4) . . ?
C136 C131 C118 119.1(4) . . ?
C131 C132 C133 121.1(4) . . ?
C131 C132 H132 119.5 . . ?
C133 C132 H132 119.5 . . ?
C134 C133 C132 120.7(4) . . ?
C134 C133 H133 119.7 . . ?
C132 C133 H133 119.7 . . ?
C133 C134 C135 119.5(4) . . ?
C133 C134 C128 120.2(4) . . ?
C135 C134 C128 120.3(4) . . ?
C134 C135 C141 121.9(4) . . ?
C134 C135 C136 119.7(4) . . ?
C141 C135 C136 118.4(4) . . ?
C144 C136 C131 123.3(4) . . ?
C144 C136 C135 118.2(4) . . ?
C131 C136 C135 118.4(4) . . ?
C142 C141 C135 121.3(4) . . ?
C142 C141 H141 119.4 . . ?
C135 C141 H141 119.4 . . ?
C141 C142 C143 119.8(4) . . ?
C141 C142 H142 120.1 . . ?
C143 C142 H142 120.1 . . ?
C144 C143 C142 120.1(4) . . ?
C144 C143 H143 119.9 . . ?
C142 C143 H143 119.9 . . ?
C143 C144 C136 121.9(4) . . ?
C143 C144 H144 119.0 . . ?
C136 C144 H144 119.0 . . ?
C215 N211 N212 111.7(4) . . ?
C215 N211 C218 129.5(4) . . ?
N212 N211 C218 118.6(4) . . ?
C213 N212 N211 105.3(4) . . ?
C213 N212 Ag1 126.9(3) . . ?
N211 N212 Ag1 127.2(3) . . ?
N211 C215 C214 106.5(4) . . ?
N211 C215 C217 120.9(5) . . ?
C214 C215 C217 132.6(5) . . ?
C215 C214 C213 106.3(4) . . ?
C215 C214 H214 126.8 . . ?
C213 C214 H214 126.8 . . ?
N212 C213 C214 110.2(4) . . ?
N212 C213 C216 121.0(4) . . ?
C214 C213 C216 128.8(5) . . ?
C215 C217 H21A 109.5 . . ?
C215 C217 H21B 109.5 . . ?
H21A C217 H21B 109.5 . . ?
C215 C217 H21C 109.5 . . ?
H21A C217 H21C 109.5 . . ?
H21B C217 H21C 109.5 . . ?
C213 C216 H21D 109.5 . . ?
C213 C216 H21E 109.5 . . ?
H21D C216 H21E 109.5 . . ?
C213 C216 H21F 109.5 . . ?
H21D C216 H21F 109.5 . . ?
H21E C216 H21F 109.5 . . ?
N211 C218 C231 114.0(4) . . ?
N211 C218 H21G 108.8 . . ?
C231 C218 H21G 108.8 . . ?
N211 C218 H21H 108.8 . . ?
C231 C218 H21H 108.8 . . ?
H21G C218 H21H 107.7 . . ?
C225 N221 N222 113.4(4) . . ?
C225 N221 C228 128.6(4) . . ?
N222 N221 C228 117.8(4) . . ?
N221 N222 C223 104.1(4) . . ?
N221 N222 Ag2 129.7(3) . 3_756 ?
C223 N222 Ag2 126.0(3) . 3_756 ?
N221 C225 C224 106.1(4) . . ?
N221 C225 C227 123.8(4) . . ?
C224 C225 C227 130.0(5) . . ?
C225 C224 C223 105.7(4) . . ?
C225 C224 H224 127.1 . . ?
C223 C224 H224 127.1 . . ?
N222 C223 C224 110.6(4) . . ?
N222 C223 C226 120.0(4) . . ?
C224 C223 C226 129.3(4) . . ?
C225 C227 H22A 109.5 . . ?
C225 C227 H22B 109.5 . . ?
H22A C227 H22B 109.5 . . ?
C225 C227 H22C 109.5 . . ?
H22A C227 H22C 109.5 . . ?
H22B C227 H22C 109.5 . . ?
C223 C226 H22D 109.5 . . ?
C223 C226 H22E 109.5 . . ?
H22D C226 H22E 109.5 . . ?
C223 C226 H22F 109.5 . . ?
H22D C226 H22F 109.5 . . ?
H22E C226 H22F 109.5 . . ?
N221 C228 C234 114.3(3) . . ?
N221 C228 H22G 108.7 . . ?
C234 C228 H22G 108.7 . . ?
N221 C228 H22H 108.7 . . ?
C234 C228 H22H 108.7 . . ?
H22G C228 H22H 107.6 . . ?
C232 C231 C236 119.9(4) . . ?
C232 C231 C218 119.3(4) . . ?
C236 C231 C218 120.8(4) . . ?
C231 C232 C233 120.9(4) . . ?
C231 C232 H232 119.6 . . ?
C233 C232 H232 119.6 . . ?
C234 C233 C232 120.6(4) . . ?
C234 C233 H233 119.7 . . ?
C232 C233 H233 119.7 . . ?
C233 C234 C235 119.6(4) . . ?
C233 C234 C228 120.8(4) . . ?
C235 C234 C228 119.6(4) . . ?
C241 C235 C236 119.3(4) . . ?
C241 C235 C234 121.5(4) . . ?
C236 C235 C234 119.3(4) . . ?
C231 C236 C244 122.9(4) . . ?
C231 C236 C235 119.7(4) . . ?
C244 C236 C235 117.4(4) . . ?
C242 C241 C235 121.9(4) . . ?
C242 C241 H241 119.0 . . ?
C235 C241 H241 119.0 . . ?
C241 C242 C243 119.8(4) . . ?
C241 C242 H242 120.1 . . ?
C243 C242 H242 120.1 . . ?
C244 C243 C242 119.2(4) . . ?
C244 C243 H243 120.4 . . ?
C242 C243 H243 120.4 . . ?
C243 C244 C236 122.3(4) . . ?
C243 C244 H244 118.9 . . ?
C236 C244 H244 118.9 . . ?
C315 N311 N312 112.5(4) . . ?
C315 N311 C318 129.3(4) . . ?
N312 N311 C318 118.1(4) . . ?
C313 N312 N311 104.6(4) . . ?
C313 N312 Ag1 125.8(3) . . ?
N311 N312 Ag1 129.4(3) . . ?
N311 C315 C314 105.7(4) . . ?
N311 C315 C317 123.6(5) . . ?
C314 C315 C317 130.7(5) . . ?
C315 C314 C313 106.1(4) . . ?
C315 C314 H314 127.0 . . ?
C313 C314 H314 127.0 . . ?
N312 C313 C314 111.1(4) . . ?
N312 C313 C316 119.5(4) . . ?
C314 C313 C316 129.3(4) . . ?
C315 C317 H31A 109.5 . . ?
C315 C317 H31B 109.5 . . ?
H31A C317 H31B 109.5 . . ?
C315 C317 H31C 109.5 . . ?
H31A C317 H31C 109.5 . . ?
H31B C317 H31C 109.5 . . ?
C313 C316 H31D 109.5 . . ?
C313 C316 H31E 109.5 . . ?
H31D C316 H31E 109.5 . . ?
C313 C316 H31F 109.5 . . ?
H31D C316 H31F 109.5 . . ?
H31E C316 H31F 109.5 . . ?
N311 C318 C321 114.4(4) . . ?
N311 C318 H31G 108.7 . . ?
C321 C318 H31G 108.7 . . ?
N311 C318 H31H 108.7 . . ?
C321 C318 H31H 108.7 . . ?
H31G C318 H31H 107.6 . . ?
C322 C321 C326 119.6(4) . . ?
C322 C321 C318 120.9(4) . . ?
C326 C321 C318 119.6(4) . . ?
C321 C322 C323 120.7(4) . . ?
C321 C322 H322 119.6 . . ?
C323 C322 H322 119.6 . . ?
C324 C323 C322 121.5(4) . . ?
C324 C323 H323 119.3 . . ?
C322 C323 H323 119.3 . . ?
C323 C324 C325 119.5(4) . . ?
C323 C324 C418 120.8(4) . 2_654 ?
C325 C324 C418 119.7(4) . 2_654 ?
C324 C325 C331 123.1(4) . . ?
C324 C325 C326 119.6(4) . . ?
C331 C325 C326 117.3(4) . . ?
C334 C326 C325 118.9(4) . . ?
C334 C326 C321 122.0(4) . . ?
C325 C326 C321 119.0(4) . . ?
C332 C331 C325 121.0(5) . . ?
C332 C331 H331 119.5 . . ?
C325 C331 H331 119.5 . . ?
C331 C332 C333 121.2(5) . . ?
C331 C332 H332 119.4 . . ?
C333 C332 H332 119.4 . . ?
C334 C333 C332 119.5(5) . . ?
C334 C333 H333 120.2 . . ?
C332 C333 H333 120.2 . . ?
C333 C334 C326 121.7(5) . . ?
C333 C334 H334 119.1 . . ?
C326 C334 H334 119.1 . . ?
C415 N411 N412 105.6(4) . . ?
C415 N411 Ag2 125.6(3) . . ?
N412 N411 Ag2 128.6(3) . . ?
C413 N412 N411 111.5(4) . . ?
C413 N412 C418 130.4(4) . . ?
N411 N412 C418 118.2(4) . . ?
N412 C413 C414 106.3(4) . . ?
N412 C413 C416 121.9(5) . . ?
C414 C413 C416 131.8(5) . . ?
C413 C414 C415 106.8(4) . . ?
C413 C414 H414 126.6 . . ?
C415 C414 H414 126.6 . . ?
N411 C415 C414 109.9(5) . . ?
N411 C415 C417 120.4(4) . . ?
C414 C415 C417 129.7(5) . . ?
C413 C416 H41F 109.5 . . ?
C413 C416 H41G 109.5 . . ?
H41F C416 H41G 109.5 . . ?
C413 C416 H41H 109.5 . . ?
H41F C416 H41H 109.5 . . ?
H41G C416 H41H 109.5 . . ?
C415 C417 H41A 109.5 . . ?
C415 C417 H41B 109.5 . . ?
H41A C417 H41B 109.5 . . ?
C415 C417 H41C 109.5 . . ?
H41A C417 H41C 109.5 . . ?
H41B C417 H41C 109.5 . . ?
N412 C418 C324 111.8(4) . 2_655 ?
N412 C418 H41D 109.3 . . ?
C324 C418 H41D 109.3 2_655 . ?
N412 C418 H41E 109.3 . . ?
C324 C418 H41E 109.3 2_655 . ?
H41D C418 H41E 107.9 . . ?
O2 N1 O1 118.9(5) . . ?
O2 N1 O3 120.0(5) . . ?
O1 N1 O3 120.7(4) . . ?
O4X N2 O6Y 176.7(9) . . ?
O4X N2 O5X 120.06(7) . . ?
O6Y N2 O5X 63.2(9) . . ?
O4X N2 O4Y 56.7(9) . . ?
O6Y N2 O4Y 120.02(7) . . ?
O5X N2 O4Y 176.7(8) . . ?
O4X N2 O5Y 63.3(9) . . ?
O6Y N2 O5Y 120.01(7) . . ?
O5X N2 O5Y 56.8(9) . . ?
O4Y N2 O5Y 119.97(7) . . ?
O4X N2 O6X 120.01(7) . . ?
O6Y N2 O6X 56.7(8) . . ?
O5X N2 O6X 119.92(7) . . ?
O4Y N2 O6X 63.3(9) . . ?
O5Y N2 O6X 176.2(8) . . ?
N1SX C2SX C3SX 175.0(14) . . ?
C2SX C3SX H3S1 109.5 . . ?
C2SX C3SX H3S2 109.5 . . ?
H3S1 C3SX H3S2 109.5 . . ?
C2SX C3SX H3S3 109.5 . . ?
H3S1 C3SX H3S3 109.5 . . ?
H3S2 C3SX H3S3 109.5 . . ?
N1SY C2SY C3SY 176.9(16) . . ?
C2SY C3SY H3S4 109.5 . . ?
C2SY C3SY H3S5 109.5 . . ?
H3S4 C3SY H3S5 109.5 . . ?
C2SY C3SY H3S6 109.5 . . ?
H3S4 C3SY H3S6 109.5 . . ?
H3S5 C3SY H3S6 109.5 . . ?
N1SZ C2SZ C3SZ 175(2) . . ?
C2SZ C3SZ H3S7 109.5 . . ?
C2SZ C3SZ H3S8 109.5 . . ?
H3S7 C3SZ H3S8 109.5 . . ?
C2SZ C3SZ H3S9 109.5 . . ?
H3S7 C3SZ H3S9 109.5 . . ?
H3S8 C3SZ H3S9 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 N112 2.216(4) . ?
Ag1 N212 2.247(4) . ?
Ag1 N312 2.259(4) . ?
Ag2 N122 2.228(3) . ?
Ag2 N222 2.243(4) 3_746 ?
Ag2 N411 2.269(4) . ?
N111 C115 1.355(6) . ?
N111 N112 1.364(5) . ?
N111 C118 1.454(6) . ?
N112 C113 1.325(6) . ?
C115 C114 1.362(7) . ?
C115 C117 1.499(6) . ?
C114 C113 1.405(6) . ?
C114 H114 0.9500 . ?
C113 C116 1.501(7) . ?
C117 H11A 0.9800 . ?
C117 H11B 0.9800 . ?
C117 H11C 0.9800 . ?
C116 H11D 0.9800 . ?
C116 H11E 0.9800 . ?
C116 H11F 0.9800 . ?
C118 C131 1.516(5) . ?
C118 H11G 0.9900 . ?
C118 H11H 0.9900 . ?
N121 C125 1.352(6) . ?
N121 N122 1.360(5) . ?
N121 C128 1.446(6) . ?
N122 C123 1.331(6) . ?
C125 C124 1.388(7) . ?
C125 C127 1.487(6) . ?
C124 C123 1.392(6) . ?
C124 H124 0.9500 . ?
C123 C126 1.492(6) . ?
C127 H12A 0.9800 . ?
C127 H12B 0.9800 . ?
C127 H12C 0.9800 . ?
C126 H12D 0.9800 . ?
C126 H12E 0.9800 . ?
C126 H12F 0.9800 . ?
C128 C134 1.504(6) . ?
C128 H12G 0.9900 . ?
C128 H12H 0.9900 . ?
C131 C132 1.367(6) . ?
C131 C136 1.424(6) . ?
C132 C133 1.415(6) . ?
C132 H132 0.9500 . ?
C133 C134 1.387(6) . ?
C133 H133 0.9500 . ?
C134 C135 1.421(6) . ?
C135 C141 1.433(6) . ?
C135 C136 1.444(6) . ?
C136 C144 1.405(6) . ?
C141 C142 1.374(7) . ?
C141 H141 0.9500 . ?
C142 C143 1.418(7) . ?
C142 H142 0.9500 . ?
C143 C144 1.381(7) . ?
C143 H143 0.9500 . ?
C144 H144 0.9500 . ?
N211 C215 1.364(6) . ?
N211 N212 1.366(5) . ?
N211 C218 1.444(6) . ?
N212 C213 1.337(6) . ?
C215 C214 1.364(8) . ?
C215 C217 1.487(7) . ?
C214 C213 1.412(7) . ?
C214 H214 0.9500 . ?
C213 C216 1.479(7) . ?
C217 H21A 0.9800 . ?
C217 H21B 0.9800 . ?
C217 H21C 0.9800 . ?
C216 H21D 0.9800 . ?
C216 H21E 0.9800 . ?
C216 H21F 0.9800 . ?
C218 C231 1.520(6) . ?
C218 H21G 0.9900 . ?
C218 H21H 0.9900 . ?
N221 C225 1.340(6) . ?
N221 N222 1.348(5) . ?
N221 C228 1.479(5) . ?
N222 C223 1.350(6) . ?
N222 Ag2 2.243(4) 3_756 ?
C225 C224 1.377(7) . ?
C225 C227 1.508(7) . ?
C224 C223 1.396(7) . ?
C224 H224 0.9500 . ?
C223 C226 1.504(6) . ?
C227 H22A 0.9800 . ?
C227 H22B 0.9800 . ?
C227 H22C 0.9800 . ?
C226 H22D 0.9800 . ?
C226 H22E 0.9800 . ?
C226 H22F 0.9800 . ?
C228 C234 1.515(6) . ?
C228 H22G 0.9900 . ?
C228 H22H 0.9900 . ?
C231 C232 1.371(6) . ?
C231 C236 1.419(7) . ?
C232 C233 1.420(6) . ?
C232 H232 0.9500 . ?
C233 C234 1.378(6) . ?
C233 H233 0.9500 . ?
C234 C235 1.430(6) . ?
C235 C241 1.414(6) . ?
C235 C236 1.422(6) . ?
C236 C244 1.420(6) . ?
C241 C242 1.375(7) . ?
C241 H241 0.9500 . ?
C242 C243 1.402(7) . ?
C242 H242 0.9500 . ?
C243 C244 1.395(7) . ?
C243 H243 0.9500 . ?
C244 H244 0.9500 . ?
N311 C315 1.351(6) . ?
N311 N312 1.373(5) . ?
N311 C318 1.457(6) . ?
N312 C313 1.336(6) . ?
C315 C314 1.390(7) . ?
C315 C317 1.489(7) . ?
C314 C313 1.396(7) . ?
C314 H314 0.9500 . ?
C313 C316 1.497(7) . ?
C317 H31A 0.9800 . ?
C317 H31B 0.9800 . ?
C317 H31C 0.9800 . ?
C316 H31D 0.9800 . ?
C316 H31E 0.9800 . ?
C316 H31F 0.9800 . ?
C318 C321 1.511(6) . ?
C318 H31G 0.9900 . ?
C318 H31H 0.9900 . ?
C321 C322 1.370(6) . ?
C321 C326 1.434(6) . ?
C322 C323 1.420(6) . ?
C322 H322 0.9500 . ?
C323 C324 1.363(7) . ?
C323 H323 0.9500 . ?
C324 C325 1.424(7) . ?
C324 C418 1.524(6) 2_654 ?
C325 C331 1.429(6) . ?
C325 C326 1.432(6) . ?
C326 C334 1.417(6) . ?
C331 C332 1.374(7) . ?
C331 H331 0.9500 . ?
C332 C333 1.390(8) . ?
C332 H332 0.9500 . ?
C333 C334 1.367(7) . ?
C333 H333 0.9500 . ?
C334 H334 0.9500 . ?
N411 C415 1.339(6) . ?
N411 N412 1.373(5) . ?
N412 C413 1.359(6) . ?
N412 C418 1.459(7) . ?
C413 C414 1.372(8) . ?
C413 C416 1.481(7) . ?
C414 C415 1.405(7) . ?
C414 H414 0.9500 . ?
C415 C417 1.508(7) . ?
C416 H41F 0.9800 . ?
C416 H41G 0.9800 . ?
C416 H41H 0.9800 . ?
C417 H41A 0.9800 . ?
C417 H41B 0.9800 . ?
C417 H41C 0.9800 . ?
C418 C324 1.524(6) 2_655 ?
C418 H41D 0.9900 . ?
C418 H41E 0.9900 . ?
N1 O2 1.221(6) . ?
N1 O1 1.234(6) . ?
N1 O3 1.245(6) . ?
N2 O4X 1.247(3) . ?
N2 O6Y 1.247(3) . ?
N2 O5X 1.247(3) . ?
N2 O4Y 1.247(3) . ?
N2 O5Y 1.247(3) . ?
N2 O6X 1.248(3) . ?
N1SX C2SX 1.151(14) . ?
C2SX C3SX 1.568(12) . ?
C3SX H3S1 0.9800 . ?
C3SX H3S2 0.9800 . ?
C3SX H3S3 0.9800 . ?
N1SY C2SY 1.071(13) . ?
C2SY C3SY 1.511(14) . ?
C3SY H3S4 0.9800 . ?
C3SY H3S5 0.9800 . ?
C3SY H3S6 0.9800 . ?
N1SZ C2SZ 1.030(16) . ?
C2SZ C3SZ 1.476(15) . ?
C3SZ H3S7 0.9800 . ?
C3SZ H3S8 0.9800 . ?
C3SZ H3S9 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
C115 N111 N112 C113 -0.1(4) . . . . ?
C118 N111 N112 C113 178.7(3) . . . . ?
C115 N111 N112 Ag1 -170.7(3) . . . . ?
C118 N111 N112 Ag1 8.0(5) . . . . ?
N212 Ag1 N112 C113 49.3(4) . . . . ?
N312 Ag1 N112 C113 -109.0(4) . . . . ?
N212 Ag1 N112 N111 -142.3(3) . . . . ?
N312 Ag1 N112 N111 59.5(4) . . . . ?
N112 N111 C115 C114 0.4(5) . . . . ?
C118 N111 C115 C114 -178.1(4) . . . . ?
N112 N111 C115 C117 179.4(4) . . . . ?
C118 N111 C115 C117 0.9(7) . . . . ?
N111 C115 C114 C113 -0.6(5) . . . . ?
C117 C115 C114 C113 -179.5(5) . . . . ?
N111 N112 C113 C114 -0.3(5) . . . . ?
Ag1 N112 C113 C114 170.0(3) . . . . ?
N111 N112 C113 C116 179.4(4) . . . . ?
Ag1 N112 C113 C116 -10.4(6) . . . . ?
C115 C114 C113 N112 0.5(5) . . . . ?
C115 C114 C113 C116 -179.1(4) . . . . ?
C115 N111 C118 C131 100.3(5) . . . . ?
N112 N111 C118 C131 -78.1(5) . . . . ?
C125 N121 N122 C123 0.4(5) . . . . ?
C128 N121 N122 C123 177.5(4) . . . . ?
C125 N121 N122 Ag2 -170.5(3) . . . . ?
C128 N121 N122 Ag2 6.7(5) . . . . ?
N222 Ag2 N122 C123 -108.9(3) 3_746 . . . ?
N411 Ag2 N122 C123 48.3(4) . . . . ?
N222 Ag2 N122 N121 60.1(4) 3_746 . . . ?
N411 Ag2 N122 N121 -142.7(3) . . . . ?
N122 N121 C125 C124 -0.4(5) . . . . ?
C128 N121 C125 C124 -177.2(4) . . . . ?
N122 N121 C125 C127 179.9(4) . . . . ?
C128 N121 C125 C127 3.2(7) . . . . ?
N121 C125 C124 C123 0.3(5) . . . . ?
C127 C125 C124 C123 179.9(5) . . . . ?
N121 N122 C123 C124 -0.2(5) . . . . ?
Ag2 N122 C123 C124 170.7(3) . . . . ?
N121 N122 C123 C126 -179.0(4) . . . . ?
Ag2 N122 C123 C126 -8.2(6) . . . . ?
C125 C124 C123 N122 -0.1(5) . . . . ?
C125 C124 C123 C126 178.6(5) . . . . ?
C125 N121 C128 C134 103.0(5) . . . . ?
N122 N121 C128 C134 -73.5(5) . . . . ?
N111 C118 C131 C132 -27.3(6) . . . . ?
N111 C118 C131 C136 152.9(4) . . . . ?
C136 C131 C132 C133 0.4(6) . . . . ?
C118 C131 C132 C133 -179.5(4) . . . . ?
C131 C132 C133 C134 -3.0(7) . . . . ?
C132 C133 C134 C135 1.5(6) . . . . ?
C132 C133 C134 C128 -179.8(4) . . . . ?
N121 C128 C134 C133 -26.0(5) . . . . ?
N121 C128 C134 C135 152.7(4) . . . . ?
C133 C134 C135 C141 -176.6(4) . . . . ?
C128 C134 C135 C141 4.7(6) . . . . ?
C133 C134 C135 C136 2.5(6) . . . . ?
C128 C134 C135 C136 -176.2(4) . . . . ?
C132 C131 C136 C144 -176.6(4) . . . . ?
C118 C131 C136 C144 3.2(6) . . . . ?
C132 C131 C136 C135 3.6(6) . . . . ?
C118 C131 C136 C135 -176.6(4) . . . . ?
C134 C135 C136 C144 175.2(4) . . . . ?
C141 C135 C136 C144 -5.7(6) . . . . ?
C134 C135 C136 C131 -5.0(6) . . . . ?
C141 C135 C136 C131 174.2(4) . . . . ?
C134 C135 C141 C142 -176.8(4) . . . . ?
C136 C135 C141 C142 4.1(6) . . . . ?
C135 C141 C142 C143 0.3(6) . . . . ?
C141 C142 C143 C144 -3.2(6) . . . . ?
C142 C143 C144 C136 1.4(6) . . . . ?
C131 C136 C144 C143 -176.8(4) . . . . ?
C135 C136 C144 C143 3.0(6) . . . . ?
C215 N211 N212 C213 -0.2(5) . . . . ?
C218 N211 N212 C213 -174.9(4) . . . . ?
C215 N211 N212 Ag1 -172.0(3) . . . . ?
C218 N211 N212 Ag1 13.3(5) . . . . ?
N112 Ag1 N212 C213 -109.1(4) . . . . ?
N312 Ag1 N212 C213 52.1(4) . . . . ?
N112 Ag1 N212 N211 61.0(4) . . . . ?
N312 Ag1 N212 N211 -137.8(3) . . . . ?
N212 N211 C215 C214 0.6(5) . . . . ?
C218 N211 C215 C214 174.5(4) . . . . ?
N212 N211 C215 C217 -178.6(4) . . . . ?
C218 N211 C215 C217 -4.7(7) . . . . ?
N211 C215 C214 C213 -0.7(5) . . . . ?
C217 C215 C214 C213 178.4(5) . . . . ?
N211 N212 C213 C214 -0.2(5) . . . . ?
Ag1 N212 C213 C214 171.6(3) . . . . ?
N211 N212 C213 C216 177.6(4) . . . . ?
Ag1 N212 C213 C216 -10.6(6) . . . . ?
C215 C214 C213 N212 0.6(5) . . . . ?
C215 C214 C213 C216 -177.0(5) . . . . ?
C215 N211 C218 C231 111.0(5) . . . . ?
N212 N211 C218 C231 -75.5(5) . . . . ?
C225 N221 N222 C223 -0.8(5) . . . . ?
C228 N221 N222 C223 -176.3(3) . . . . ?
C225 N221 N222 Ag2 -175.5(3) . . . 3_756 ?
C228 N221 N222 Ag2 9.1(5) . . . 3_756 ?
N222 N221 C225 C224 0.8(5) . . . . ?
C228 N221 C225 C224 175.7(4) . . . . ?
N222 N221 C225 C227 179.2(4) . . . . ?
C228 N221 C225 C227 -5.9(7) . . . . ?
N221 C225 C224 C223 -0.4(5) . . . . ?
C227 C225 C224 C223 -178.8(5) . . . . ?
N221 N222 C223 C224 0.5(5) . . . . ?
Ag2 N222 C223 C224 175.4(3) 3_756 . . . ?
N221 N222 C223 C226 -178.6(4) . . . . ?
Ag2 N222 C223 C226 -3.7(6) 3_756 . . . ?
C225 C224 C223 N222 -0.1(5) . . . . ?
C225 C224 C223 C226 179.0(5) . . . . ?
C225 N221 C228 C234 107.1(5) . . . . ?
N222 N221 C228 C234 -78.2(5) . . . . ?
N211 C218 C231 C232 -36.1(6) . . . . ?
N211 C218 C231 C236 144.5(4) . . . . ?
C236 C231 C232 C233 0.2(6) . . . . ?
C218 C231 C232 C233 -179.2(4) . . . . ?
C231 C232 C233 C234 -2.4(6) . . . . ?
C232 C233 C234 C235 1.5(6) . . . . ?
C232 C233 C234 C228 -177.1(4) . . . . ?
N221 C228 C234 C233 -25.8(6) . . . . ?
N221 C228 C234 C235 155.6(4) . . . . ?
C233 C234 C235 C241 -178.1(4) . . . . ?
C228 C234 C235 C241 0.5(6) . . . . ?
C233 C234 C235 C236 1.6(6) . . . . ?
C228 C234 C235 C236 -179.9(4) . . . . ?
C232 C231 C236 C244 -177.7(4) . . . . ?
C218 C231 C236 C244 1.7(6) . . . . ?
C232 C231 C236 C235 2.9(6) . . . . ?
C218 C231 C236 C235 -177.7(4) . . . . ?
C241 C235 C236 C231 175.9(4) . . . . ?
C234 C235 C236 C231 -3.8(6) . . . . ?
C241 C235 C236 C244 -3.6(6) . . . . ?
C234 C235 C236 C244 176.7(4) . . . . ?
C236 C235 C241 C242 2.1(6) . . . . ?
C234 C235 C241 C242 -178.2(4) . . . . ?
C235 C241 C242 C243 -0.1(7) . . . . ?
C241 C242 C243 C244 -0.2(6) . . . . ?
C242 C243 C244 C236 -1.5(6) . . . . ?
C231 C236 C244 C243 -176.1(4) . . . . ?
C235 C236 C244 C243 3.4(6) . . . . ?
C315 N311 N312 C313 -0.7(5) . . . . ?
C318 N311 N312 C313 -178.2(4) . . . . ?
C315 N311 N312 Ag1 -175.7(3) . . . . ?
C318 N311 N312 Ag1 6.8(5) . . . . ?
N112 Ag1 N312 C313 53.4(4) . . . . ?
N212 Ag1 N312 C313 -107.4(4) . . . . ?
N112 Ag1 N312 N311 -132.6(3) . . . . ?
N212 Ag1 N312 N311 66.7(4) . . . . ?
N312 N311 C315 C314 0.6(5) . . . . ?
C318 N311 C315 C314 177.8(4) . . . . ?
N312 N311 C315 C317 179.9(4) . . . . ?
C318 N311 C315 C317 -2.9(7) . . . . ?
N311 C315 C314 C313 -0.3(5) . . . . ?
C317 C315 C314 C313 -179.5(5) . . . . ?
N311 N312 C313 C314 0.5(5) . . . . ?
Ag1 N312 C313 C314 175.7(3) . . . . ?
N311 N312 C313 C316 -179.3(4) . . . . ?
Ag1 N312 C313 C316 -4.1(6) . . . . ?
C315 C314 C313 N312 -0.1(5) . . . . ?
C315 C314 C313 C316 179.6(5) . . . . ?
C315 N311 C318 C321 102.1(5) . . . . ?
N312 N311 C318 C321 -80.9(5) . . . . ?
N311 C318 C321 C322 -25.7(6) . . . . ?
N311 C318 C321 C326 154.1(4) . . . . ?
C326 C321 C322 C323 0.7(6) . . . . ?
C318 C321 C322 C323 -179.6(4) . . . . ?
C321 C322 C323 C324 -1.6(6) . . . . ?
C322 C323 C324 C325 -0.6(6) . . . . ?
C322 C323 C324 C418 -179.4(4) . . . 2_654 ?
C323 C324 C325 C331 -176.7(4) . . . . ?
C418 C324 C325 C331 2.1(6) 2_654 . . . ?
C323 C324 C325 C326 3.6(6) . . . . ?
C418 C324 C325 C326 -177.6(4) 2_654 . . . ?
C324 C325 C326 C334 174.4(4) . . . . ?
C331 C325 C326 C334 -5.3(6) . . . . ?
C324 C325 C326 C321 -4.4(6) . . . . ?
C331 C325 C326 C321 175.8(4) . . . . ?
C322 C321 C326 C334 -176.5(4) . . . . ?
C318 C321 C326 C334 3.7(6) . . . . ?
C322 C321 C326 C325 2.3(6) . . . . ?
C318 C321 C326 C325 -177.5(4) . . . . ?
C324 C325 C331 C332 -176.3(4) . . . . ?
C326 C325 C331 C332 3.5(6) . . . . ?
C325 C331 C332 C333 0.0(7) . . . . ?
C331 C332 C333 C334 -1.7(7) . . . . ?
C332 C333 C334 C326 -0.3(7) . . . . ?
C325 C326 C334 C333 3.9(6) . . . . ?
C321 C326 C334 C333 -177.3(4) . . . . ?
N122 Ag2 N411 C415 -107.6(4) . . . . ?
N222 Ag2 N411 C415 53.1(4) 3_746 . . . ?
N122 Ag2 N411 N412 65.6(4) . . . . ?
N222 Ag2 N411 N412 -133.7(3) 3_746 . . . ?
C415 N411 N412 C413 0.0(5) . . . . ?
Ag2 N411 N412 C413 -174.3(3) . . . . ?
C415 N411 N412 C418 -179.8(4) . . . . ?
Ag2 N411 N412 C418 6.0(6) . . . . ?
N411 N412 C413 C414 -0.2(5) . . . . ?
C418 N412 C413 C414 179.5(4) . . . . ?
N411 N412 C413 C416 179.1(4) . . . . ?
C418 N412 C413 C416 -1.2(8) . . . . ?
N412 C413 C414 C415 0.4(5) . . . . ?
C416 C413 C414 C415 -178.8(5) . . . . ?
N412 N411 C415 C414 0.3(5) . . . . ?
Ag2 N411 C415 C414 174.8(3) . . . . ?
N412 N411 C415 C417 179.9(4) . . . . ?
Ag2 N411 C415 C417 -5.6(6) . . . . ?
C413 C414 C415 N411 -0.5(5) . . . . ?
C413 C414 C415 C417 180.0(5) . . . . ?
C413 N412 C418 C324 105.0(5) . . . 2_655 ?
N411 N412 C418 C324 -75.3(5) . . . 2_655 ?
