#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/81/4508185.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_4508185
loop_
_publ_author_name
'Zhang, Zhe'
'Ma, Jian-Fang'
'Liu, Ying-Ying'
'Kan, Wei-Qiu'
'Yang, Jin'
_publ_section_title
;
 A Series of Coordination Polymers Constructed from a Multidentate N-Donor
 Ligand and Varied Carboxylate Anions: Syntheses, Structures, and
 Luminescent Properties
;
_journal_issue                   10
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4338
_journal_paper_doi               10.1021/cg400680r
_journal_volume                  13
_journal_year                    2013
_chemical_formula_moiety         'C80 H72 Ag6 N36 O23'
_chemical_formula_sum            'C80 H72 Ag6 N36 O23'
_chemical_formula_weight         2552.96
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                106.161(6)
_cell_angle_beta                 114.154(6)
_cell_angle_gamma                99.768(6)
_cell_formula_units_Z            1
_cell_length_a                   12.9380(8)
_cell_length_b                   14.0410(10)
_cell_length_c                   15.3420(10)
_cell_measurement_reflns_used    3105
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1597
_cell_measurement_theta_min      2.6974
_cell_volume                     2311.2(3)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_av_sigmaI/netI    0.0849
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14645
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.70
_exptl_absorpt_coefficient_mu    1.340
_exptl_absorpt_correction_T_max  0.8557
_exptl_absorpt_correction_T_min  0.7944
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.834
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1270
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.927
_refine_diff_density_min         -1.284
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     685
_refine_ls_number_reflns         8421
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      0.989
_refine_ls_R_factor_all          0.1160
_refine_ls_R_factor_gt           0.0646
_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)+(0.0300P)²+20.8678P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1377
_refine_ls_wR_factor_ref         0.1630
_reflns_number_gt                5079
_reflns_number_total             8421
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            cg400680r_si_002.cif
_cod_data_source_block           Compound-9
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_Hall     '-P 1 '
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4508185
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
Ag1 Ag 0.77178(8) 0.31219(8) 0.30837(9) 0.0824(4) Uani 1 1 d .
Ag2 Ag 0.83012(8) -0.07624(8) 0.17290(8) 0.0764(3) Uani 1 1 d .
Ag3 Ag 0.02335(6) 0.18626(6) 0.61338(6) 0.0469(2) Uani 1 1 d .
C1 C 0.4573(6) 0.0604(6) 0.4420(6) 0.0280(17) Uani 1 1 d .
C2 C 0.4875(6) -0.0268(6) 0.4000(6) 0.0268(17) Uani 1 1 d .
C3 C 0.4706(6) 0.0864(6) 0.5422(6) 0.0248(17) Uani 1 1 d .
C4 C 0.4137(7) 0.1262(7) 0.3806(7) 0.037(2) Uani 1 1 d .
H4A H 0.3628 0.0810 0.3080 0.044 Uiso 1 1 calc R
H4B H 0.3662 0.1614 0.4044 0.044 Uiso 1 1 calc R
C5 C 0.5534(9) 0.2060(9) 0.3257(9) 0.056(3) Uani 1 1 d .
H5 H 0.5160 0.1589 0.2572 0.068 Uiso 1 1 calc R
C6 C 0.6718(10) 0.3301(10) 0.4660(10) 0.074(4) Uani 1 1 d .
H6 H 0.7363 0.3896 0.5159 0.089 Uiso 1 1 calc R
C7 C 0.4699(7) -0.0586(7) 0.2912(6) 0.035(2) Uani 1 1 d .
H7A H 0.4274 -0.1332 0.2539 0.042 Uiso 1 1 calc R
H7B H 0.4207 -0.0223 0.2558 0.042 Uiso 1 1 calc R
C8 C 0.6089(8) -0.0809(7) 0.2161(7) 0.044(2) Uani 1 1 d .
H8 H 0.5559 -0.1393 0.1558 0.053 Uiso 1 1 calc R
C9 C 0.7602(8) 0.0465(8) 0.3342(7) 0.046(2) Uani 1 1 d .
H9 H 0.8370 0.0948 0.3716 0.055 Uiso 1 1 calc R
C10 C 0.4402(7) 0.1798(6) 0.5880(6) 0.0321(19) Uani 1 1 d .
H10A H 0.4894 0.2090 0.6627 0.039 Uiso 1 1 calc R
H10B H 0.4580 0.2331 0.5626 0.039 Uiso 1 1 calc R
C11 C 0.2638(7) 0.1846(6) 0.6204(6) 0.0334(19) Uani 1 1 d .
H11 H 0.3054 0.2312 0.6892 0.040 Uiso 1 1 calc R
C12 C 0.1285(7) 0.0803(7) 0.4708(7) 0.038(2) Uani 1 1 d .
H12 H 0.0530 0.0398 0.4153 0.045 Uiso 1 1 calc R
C13 C 1.0320(7) 0.4400(6) 0.0607(6) 0.0322(19) Uani 1 1 d .
C14 C 1.0969(6) 0.5453(7) 0.0993(6) 0.0308(19) Uani 1 1 d .
C15 C 0.9345(7) 0.3933(6) -0.0401(6) 0.0317(19) Uani 1 1 d .
C16 C 1.0632(8) 0.3739(7) 0.1248(7) 0.040(2) Uani 1 1 d .
H16A H 1.0317 0.3007 0.0788 0.048 Uiso 1 1 calc R
H16B H 1.1496 0.3926 0.1633 0.048 Uiso 1 1 calc R
C17 C 0.9157(8) 0.3295(9) 0.1878(8) 0.054(3) Uani 1 1 d .
H17 H 0.8630 0.2682 0.1307 0.065 Uiso 1 1 calc R
C18 C 0.9990(9) 0.4568(8) 0.3283(8) 0.052(3) Uani 1 1 d .
H18 H 1.0142 0.5032 0.3920 0.062 Uiso 1 1 calc R
C19 C 1.2049(6) 0.5996(6) 0.2080(6) 0.0327(19) Uani 1 1 d .
H19A H 1.2188 0.5489 0.2397 0.039 Uiso 1 1 calc R
H19B H 1.2755 0.6270 0.2032 0.039 Uiso 1 1 calc R
C20 C 1.0917(7) 0.6868(7) 0.2862(7) 0.039(2) Uani 1 1 d .
H20 H 1.0213 0.6306 0.2534 0.046 Uiso 1 1 calc R
C21 C 1.2239(7) 0.8344(7) 0.3778(7) 0.049(3) Uani 1 1 d .
H21 H 1.2625 0.9040 0.4238 0.059 Uiso 1 1 calc R
C22 C 0.8605(7) 0.2788(7) -0.0802(7) 0.039(2) Uani 1 1 d .
H22A H 0.8514 0.2659 -0.0244 0.047 Uiso 1 1 calc R
H22B H 0.7813 0.2667 -0.1349 0.047 Uiso 1 1 calc R
C23 C 1.0197(8) 0.2125(8) -0.1127(7) 0.049(2) Uani 1 1 d .
H23 H 1.0821 0.2754 -0.0805 0.059 Uiso 1 1 calc R
C24 C 0.9157(9) 0.0555(8) -0.1922(9) 0.063(3) Uani 1 1 d .
H24 H 0.8926 -0.0166 -0.2274 0.076 Uiso 1 1 calc R
C25 C 0.3399(7) 0.4194(6) 0.9675(6) 0.0349(19) Uani 1 1 d .
C26 C 0.3929(7) 0.5147(7) 1.0549(6) 0.0325(19) Uani 1 1 d .
C27 C 0.4848(8) 0.5194(7) 1.1453(7) 0.043(2) Uani 1 1 d .
H27 H 0.5212 0.5817 1.2035 0.051 Uiso 1 1 calc R
C28 C 0.5246(8) 0.4351(8) 1.1523(7) 0.047(2) Uani 1 1 d .
C29 C 0.4754(10) 0.3445(8) 1.0665(8) 0.058(3) Uani 1 1 d .
H29 H 0.5037 0.2882 1.0693 0.070 Uiso 1 1 calc R
C30 C 0.3840(8) 0.3377(7) 0.9764(7) 0.051(2) Uani 1 1 d .
H30 H 0.3500 0.2753 0.9186 0.061 Uiso 1 1 calc R
C31 C 0.2387(8) 0.3939(8) 0.8601(7) 0.049(2) Uani 1 1 d .
C32 C 0.3663(7) 0.6176(7) 1.0642(7) 0.039(2) Uani 1 1 d .
C33 C 0.7426(9) 0.6456(8) 1.5419(7) 0.047(2) Uani 1 1 d .
C34 C 0.8197(8) 0.6421(7) 1.4983(7) 0.045(2) Uani 1 1 d .
C35 C 0.7722(9) 0.5747(8) 1.3959(7) 0.048(2) Uani 1 1 d .
H35 H 0.8222 0.5716 1.3663 0.057 Uiso 1 1 calc R
C36 C 0.6556(9) 0.5130(8) 1.3372(7) 0.054(3) Uani 1 1 d .
C37 C 0.5779(9) 0.5181(9) 1.3773(8) 0.060(3) Uani 1 1 d .
H37 H 0.4970 0.4792 1.3364 0.072 Uiso 1 1 calc R
C38 C 0.6226(9) 0.5816(8) 1.4787(8) 0.056(3) Uani 1 1 d .
H38 H 0.5713 0.5825 1.5070 0.067 Uiso 1 1 calc R
C39 C 0.7733(11) 0.7055(9) 1.6523(9) 0.060(3) Uani 1 1 d .
C40 C 0.9512(10) 0.7037(11) 1.5485(10) 0.063(3) Uani 1 1 d .
N1 N 0.6542(8) 0.2844(7) 0.3707(8) 0.064(3) Uani 1 1 d .
N2 N 0.5133(6) 0.2040(6) 0.3917(6) 0.0435(18) Uani 1 1 d .
N3 N 0.5895(8) 0.2836(7) 0.4833(7) 0.061(2) Uani 1 1 d .
N4 N 0.7203(6) -0.0325(6) 0.2408(6) 0.048(2) Uani 1 1 d .
N5 N 0.5838(6) -0.0347(5) 0.2891(5) 0.0327(16) Uani 1 1 d .
N6 N 0.6812(6) 0.0485(6) 0.3669(6) 0.0432(18) Uani 1 1 d .
N7 N 0.1461(6) 0.1401(5) 0.5651(5) 0.0345(16) Uani 1 1 d .
N8 N 0.3132(5) 0.1514(5) 0.5611(5) 0.0310(15) Uani 1 1 d .
N9 N 0.2264(6) 0.0846(6) 0.4647(5) 0.0382(17) Uani 1 1 d .
N10 N 0.9016(7) 0.3694(7) 0.2687(7) 0.055(2) Uani 1 1 d .
N11 N 1.0150(6) 0.3878(6) 0.1981(6) 0.0404(18) Uani 1 1 d .
N12 N 1.0705(7) 0.4703(6) 0.2884(6) 0.049(2) Uani 1 1 d .
N13 N 1.1115(6) 0.7795(6) 0.3523(5) 0.0368(17) Uani 1 1 d .
N14 N 1.1860(6) 0.6850(5) 0.2731(5) 0.0340(16) Uani 1 1 d .
N15 N 1.2727(6) 0.7802(6) 0.3317(6) 0.0448(19) Uani 1 1 d .
N16 N 1.0256(7) 0.1189(6) -0.1576(6) 0.048(2) Uani 1 1 d .
N17 N 0.9123(6) 0.2030(5) -0.1205(6) 0.0393(17) Uani 1 1 d .
N18 N 0.8430(7) 0.1009(6) -0.1733(7) 0.062(2) Uani 1 1 d .
O1 O 0.2117(6) 0.3087(6) 0.7923(5) 0.072(2) Uani 1 1 d .
O2 O 0.1817(6) 0.4583(6) 0.8437(5) 0.066(2) Uani 1 1 d .
O3 O 0.2824(6) 0.6219(6) 0.9864(5) 0.063(2) Uani 1 1 d .
O4 O 0.4260(6) 0.6924(5) 1.1466(5) 0.0519(17) Uani 1 1 d .
O5 O 1.0100(7) 0.6786(8) 1.5079(7) 0.086(3) Uani 1 1 d .
O6 O 0.9965(6) 0.7848(7) 1.6336(7) 0.075(2) Uani 1 1 d .
O7 O 0.8703(8) 0.7827(7) 1.7115(6) 0.087(3) Uani 1 1 d .
H7 H 0.9068 0.7900 1.6797 0.130 Uiso 1 1 calc R
O8 O 0.7024(8) 0.6793(8) 1.6823(6) 0.097(3) Uani 1 1 d .
O9 O 0.6217(7) 0.4410(6) 1.2400(5) 0.073(2) Uani 1 1 d .
O1W O 0.783(3) 0.054(2) 0.0590(19) 0.053(7) Uani 0.25 1 d P
O1WA O 0.6841(18) -0.041(3) -0.0231(15) 0.197(16) Uani 0.50 1 d P
O1WB O 0.625(3) 0.002(3) -0.085(3) 0.086(10) Uani 0.25 1 d PU
O2W O 0.6171(17) 0.1485(14) 0.1250(15) 0.101(6) Uani 0.50 1 d PU
O3W O 0.0086(19) 0.1124(15) 0.0588(14) 0.110(6) Uani 0.50 1 d PU
O4W O 0.756(2) 0.7548(19) 0.8847(17) 0.135(8) Uani 0.50 1 d PU
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
N10 Ag1 N1 168.9(4) . .
N16 Ag2 N4 160.1(3) 2_755 .
N13 Ag3 N7 174.5(3) 2_666 .
C3 C1 C2 119.3(7) . .
C3 C1 C4 120.5(7) . .
C2 C1 C4 120.2(7) . .
C3 C2 C1 119.9(7) 2_656 .
C3 C2 C7 119.8(7) 2_656 .
C1 C2 C7 120.2(7) . .
C1 C3 C2 120.8(7) . 2_656
C1 C3 C10 119.6(7) . .
C2 C3 C10 119.6(7) 2_656 .
N2 C4 C1 111.4(6) . .
N2 C4 H4A 109.3 . .
C1 C4 H4A 109.3 . .
N2 C4 H4B 109.3 . .
C1 C4 H4B 109.3 . .
H4A C4 H4B 108.0 . .
N1 C5 N2 110.3(10) . .
N1 C5 H5 124.8 . .
N2 C5 H5 124.8 . .
N3 C6 N1 113.6(11) . .
N3 C6 H6 123.2 . .
N1 C6 H6 123.2 . .
N5 C7 C2 112.4(6) . .
N5 C7 H7A 109.1 . .
C2 C7 H7A 109.1 . .
N5 C7 H7B 109.1 . .
C2 C7 H7B 109.1 . .
H7A C7 H7B 107.8 . .
N4 C8 N5 110.5(8) . .
N4 C8 H8 124.7 . .
N5 C8 H8 124.7 . .
N6 C9 N4 114.5(8) . .
N6 C9 H9 122.8 . .
N4 C9 H9 122.8 . .
N8 C10 C3 111.5(6) . .
N8 C10 H10A 109.3 . .
C3 C10 H10A 109.3 . .
N8 C10 H10B 109.3 . .
C3 C10 H10B 109.3 . .
H10A C10 H10B 108.0 . .
N7 C11 N8 109.0(7) . .
N7 C11 H11 125.5 . .
N8 C11 H11 125.5 . .
N9 C12 N7 114.2(7) . .
N9 C12 H12 122.9 . .
N7 C12 H12 122.9 . .
C14 C13 C15 119.3(7) . .
C14 C13 C16 121.7(8) . .
C15 C13 C16 119.0(7) . .
C13 C14 C15 121.3(7) . 2_765
C13 C14 C19 121.4(7) . .
C15 C14 C19 117.3(7) 2_765 .
C13 C15 C14 119.4(7) . 2_765
C13 C15 C22 119.0(8) . .
C14 C15 C22 121.6(7) 2_765 .
N11 C16 C13 112.7(6) . .
N11 C16 H16A 109.1 . .
C13 C16 H16A 109.1 . .
N11 C16 H16B 109.1 . .
C13 C16 H16B 109.1 . .
H16A C16 H16B 107.8 . .
N10 C17 N11 111.0(9) . .
N10 C17 H17 124.5 . .
N11 C17 H17 124.5 . .
N12 C18 N10 114.3(9) . .
N12 C18 H18 122.8 . .
N10 C18 H18 122.8 . .
N14 C19 C14 111.4(6) . .
N14 C19 H19A 109.4 . .
C14 C19 H19A 109.4 . .
N14 C19 H19B 109.4 . .
C14 C19 H19B 109.4 . .
H19A C19 H19B 108.0 . .
N14 C20 N13 110.2(7) . .
N14 C20 H20 124.9 . .
N13 C20 H20 124.9 . .
N15 C21 N13 113.7(8) . .
N15 C21 H21 123.1 . .
N13 C21 H21 123.1 . .
N17 C22 C15 114.4(6) . .
N17 C22 H22A 108.7 . .
C15 C22 H22A 108.7 . .
N17 C22 H22B 108.7 . .
C15 C22 H22B 108.7 . .
H22A C22 H22B 107.6 . .
N17 C23 N16 110.3(8) . .
N17 C23 H23 124.8 . .
N16 C23 H23 124.8 . .
N18 C24 N16 115.8(9) . .
N18 C24 H24 122.1 . .
N16 C24 H24 122.1 . .
C30 C25 C26 118.5(8) . .
C30 C25 C31 113.5(8) . .
C26 C25 C31 128.0(8) . .
C27 C26 C25 117.5(8) . .
C27 C26 C32 113.4(8) . .
C25 C26 C32 129.0(7) . .
C26 C27 C28 122.5(8) . .
C26 C27 H27 118.8 . .
C28 C27 H27 118.8 . .
O9 C28 C29 117.2(8) . .
O9 C28 C27 123.0(9) . .
C29 C28 C27 119.5(9) . .
C30 C29 C28 119.1(9) . .
C30 C29 H29 120.5 . .
C28 C29 H29 120.5 . .
C29 C30 C25 122.9(9) . .
C29 C30 H30 118.6 . .
C25 C30 H30 118.6 . .
O1 C31 O2 122.1(9) . .
O1 C31 C25 117.8(9) . .
O2 C31 C25 120.0(9) . .
O4 C32 O3 122.6(8) . .
O4 C32 C26 118.5(8) . .
O3 C32 C26 118.9(8) . .
C38 C33 C34 117.9(9) . .
C38 C33 C39 113.6(9) . .
C34 C33 C39 128.4(10) . .
C35 C34 C33 117.9(9) . .
C35 C34 C40 113.6(9) . .
C33 C34 C40 128.5(10) . .
C36 C35 C34 122.6(9) . .
C36 C35 H35 118.7 . .
C34 C35 H35 118.7 . .
C35 C36 O9 117.3(9) . .
C35 C36 C37 120.3(10) . .
O9 C36 C37 122.2(10) . .
C38 C37 C36 118.4(10) . .
C38 C37 H37 120.8 . .
C36 C37 H37 120.8 . .
C37 C38 C33 122.8(9) . .
C37 C38 H38 118.6 . .
C33 C38 H38 118.6 . .
O8 C39 O7 121.7(11) . .
O8 C39 C33 118.6(11) . .
O7 C39 C33 119.6(11) . .
O5 C40 O6 121.6(11) . .
O5 C40 C34 120.3(12) . .
O6 C40 C34 118.1(10) . .
C5 N1 C6 103.7(8) . .
C5 N1 Ag1 126.5(8) . .
C6 N1 Ag1 129.1(8) . .
C5 N2 N3 108.7(8) . .
C5 N2 C4 129.9(9) . .
N3 N2 C4 121.1(7) . .
C6 N3 N2 103.6(9) . .
C8 N4 C9 102.6(7) . .
C8 N4 Ag2 131.1(7) . .
C9 N4 Ag2 125.4(6) . .
C8 N5 N6 109.8(7) . .
C8 N5 C7 128.9(7) . .
N6 N5 C7 121.2(6) . .
C9 N6 N5 102.6(7) . .
C11 N7 C12 103.8(6) . .
C11 N7 Ag3 124.0(5) . .
C12 N7 Ag3 131.0(5) . .
C11 N8 N9 109.9(6) . .
C11 N8 C10 128.8(7) . .
N9 N8 C10 121.3(6) . .
C12 N9 N8 103.2(6) . .
C17 N10 C18 102.1(8) . .
C17 N10 Ag1 131.1(8) . .
C18 N10 Ag1 126.6(7) . .
C17 N11 N12 109.7(8) . .
C17 N11 C16 129.1(9) . .
N12 N11 C16 121.1(7) . .
C18 N12 N11 102.8(8) . .
C20 N13 C21 103.4(6) . .
C20 N13 Ag3 120.8(5) . 2_666
C21 N13 Ag3 135.7(6) . 2_666
C20 N14 N15 109.8(6) . .
C20 N14 C19 129.5(7) . .
N15 N14 C19 120.7(6) . .
C21 N15 N14 102.9(6) . .
C24 N16 C23 102.1(7) . .
C24 N16 Ag2 127.5(6) . 2_755
C23 N16 Ag2 130.5(6) . 2_755
C23 N17 N18 109.3(7) . .
C23 N17 C22 132.8(8) . .
N18 N17 C22 117.9(6) . .
C24 N18 N17 102.5(7) . .
C39 O7 H7 109.5 . .
C36 O9 C28 121.5(7) . .
O1WB O1WA O1W 99(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N10 2.119(7) .
Ag1 N1 2.140(8) .
Ag2 N16 2.135(7) 2_755
Ag2 N4 2.152(7) .
Ag3 N13 2.109(6) 2_666
Ag3 N7 2.130(6) .
C1 C3 1.405(10) .
C1 C2 1.413(10) .
C1 C4 1.513(11) .
C2 C3 1.398(10) 2_656
C2 C7 1.508(10) .
C3 C2 1.398(10) 2_656
C3 C10 1.502(10) .
C4 N2 1.457(10) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 N1 1.319(13) .
C5 N2 1.318(11) .
C5 H5 0.9300 .
C6 N3 1.313(12) .
C6 N1 1.326(14) .
C6 H6 0.9300 .
C7 N5 1.471(9) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 N4 1.327(11) .
C8 N5 1.321(10) .
C8 H8 0.9300 .
C9 N6 1.310(10) .
C9 N4 1.367(11) .
C9 H9 0.9300 .
C10 N8 1.470(9) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 N7 1.324(10) .
C11 N8 1.339(9) .
C11 H11 0.9300 .
C12 N9 1.301(9) .
C12 N7 1.356(10) .
C12 H12 0.9300 .
C13 C14 1.389(11) .
C13 C15 1.403(11) .
C13 C16 1.517(11) .
C14 C15 1.409(11) 2_765
C14 C19 1.530(11) .
C15 C14 1.409(11) 2_765
C15 C22 1.524(11) .
C16 N11 1.479(10) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 N10 1.312(12) .
C17 N11 1.323(11) .
C17 H17 0.9300 .
C18 N12 1.316(11) .
C18 N10 1.355(13) .
C18 H18 0.9300 .
C19 N14 1.458(9) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 N14 1.320(9) .
C20 N13 1.314(10) .
C20 H20 0.9300 .
C21 N15 1.307(10) .
C21 N13 1.360(10) .
C21 H21 0.9300 .
C22 N17 1.476(10) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 N17 1.325(10) .
C23 N16 1.334(11) .
C23 H23 0.9300 .
C24 N18 1.305(11) .
C24 N16 1.337(12) .
C24 H24 0.9300 .
C25 C30 1.380(12) .
C25 C26 1.413(11) .
C25 C31 1.518(12) .
C26 C27 1.383(11) .
C26 C32 1.524(12) .
C27 C28 1.382(12) .
C27 H27 0.9300 .
C28 O9 1.384(11) .
C28 C29 1.365(13) .
C29 C30 1.366(13) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 O1 1.226(11) .
C31 O2 1.276(12) .
C32 O4 1.218(10) .
C32 O3 1.268(10) .
C33 C38 1.403(14) .
C33 C34 1.410(12) .
C33 C39 1.509(14) .
C34 C35 1.388(13) .
C34 C40 1.514(14) .
C35 C36 1.359(14) .
C35 H35 0.9300 .
C36 O9 1.383(11) .
C36 C37 1.380(14) .
C37 C38 1.365(14) .
C37 H37 0.9300 .
C38 H38 0.9300 .
C39 O8 1.229(13) .
C39 O7 1.278(14) .
C40 O5 1.203(13) .
C40 O6 1.290(14) .
N2 N3 1.347(11) .
N5 N6 1.368(9) .
N8 N9 1.356(9) .
N11 N12 1.336(10) .
N13 Ag3 2.109(6) 2_666
N14 N15 1.360(9) .
N16 Ag2 2.135(7) 2_755
N17 N18 1.356(10) .
O7 H7 0.8200 .
O1W O1WA 1.47(4) .
O1WA O1WB 1.32(4) .
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_4
C3 C1 C2 C3 0.5(11) . 2_656
C4 C1 C2 C3 179.1(6) . 2_656
C3 C1 C2 C7 177.8(6) . .
C4 C1 C2 C7 -3.5(10) . .
C2 C1 C3 C2 -0.5(11) . 2_656
C4 C1 C3 C2 -179.1(6) . 2_656
C2 C1 C3 C10 179.2(6) . .
C4 C1 C3 C10 0.6(10) . .
C3 C1 C4 N2 95.5(8) . .
C2 C1 C4 N2 -83.1(9) . .
C3 C2 C7 N5 -74.6(9) 2_656 .
C1 C2 C7 N5 108.1(8) . .
C1 C3 C10 N8 88.3(8) . .
C2 C3 C10 N8 -92.0(8) 2_656 .
C15 C13 C14 C15 1.2(11) . 2_765
C16 C13 C14 C15 -178.4(6) . 2_765
C15 C13 C14 C19 -179.2(6) . .
C16 C13 C14 C19 1.2(10) . .
C14 C13 C15 C14 -1.2(11) . 2_765
C16 C13 C15 C14 178.5(6) . 2_765
C14 C13 C15 C22 -177.4(6) . .
C16 C13 C15 C22 2.2(10) . .
C14 C13 C16 N11 81.2(9) . .
C15 C13 C16 N11 -98.4(8) . .
C13 C14 C19 N14 -118.7(8) . .
C15 C14 C19 N14 60.9(8) 2_765 .
C13 C15 C22 N17 -82.2(9) . .
C14 C15 C22 N17 101.6(8) 2_765 .
C30 C25 C26 C27 -1.3(12) . .
C31 C25 C26 C27 -179.9(8) . .
C30 C25 C26 C32 176.3(8) . .
C31 C25 C26 C32 -2.3(13) . .
C25 C26 C27 C28 -0.5(13) . .
C32 C26 C27 C28 -178.5(8) . .
C26 C27 C28 O9 175.5(8) . .
C26 C27 C28 C29 2.6(15) . .
O9 C28 C29 C30 -176.2(9) . .
C27 C28 C29 C30 -2.9(15) . .
C28 C29 C30 C25 1.1(16) . .
C26 C25 C30 C29 1.0(14) . .
C31 C25 C30 C29 179.8(9) . .
C30 C25 C31 O1 -4.3(12) . .
C26 C25 C31 O1 174.4(8) . .
C30 C25 C31 O2 172.9(9) . .
C26 C25 C31 O2 -8.4(13) . .
C27 C26 C32 O4 0.4(11) . .
C25 C26 C32 O4 -177.3(8) . .
C27 C26 C32 O3 -179.0(8) . .
C25 C26 C32 O3 3.3(13) . .
C38 C33 C34 C35 -0.7(13) . .
C39 C33 C34 C35 175.2(9) . .
C38 C33 C34 C40 178.9(9) . .
C39 C33 C34 C40 -5.1(16) . .
C33 C34 C35 C36 0.1(14) . .
C40 C34 C35 C36 -179.6(9) . .
C34 C35 C36 O9 -173.2(8) . .
C34 C35 C36 C37 2.2(15) . .
C35 C36 C37 C38 -3.8(15) . .
O9 C36 C37 C38 171.4(9) . .
C36 C37 C38 C33 3.2(16) . .
C34 C33 C38 C37 -1.0(15) . .
C39 C33 C38 C37 -177.5(9) . .
C38 C33 C39 O8 14.1(14) . .
C34 C33 C39 O8 -162.0(10) . .
C38 C33 C39 O7 -164.6(9) . .
C34 C33 C39 O7 19.3(15) . .
C35 C34 C40 O5 -14.0(14) . .
C33 C34 C40 O5 166.3(10) . .
C35 C34 C40 O6 164.0(9) . .
C33 C34 C40 O6 -15.6(15) . .
N2 C5 N1 C6 -0.9(11) . .
N2 C5 N1 Ag1 170.5(6) . .
N3 C6 N1 C5 1.4(13) . .
N3 C6 N1 Ag1 -169.7(7) . .
N10 Ag1 N1 C5 162.5(14) . .
N10 Ag1 N1 C6 -28(2) . .
N1 C5 N2 N3 0.2(11) . .
N1 C5 N2 C4 -172.6(8) . .
C1 C4 N2 C5 105.4(10) . .
C1 C4 N2 N3 -66.7(10) . .
N1 C6 N3 N2 -1.3(13) . .
C5 N2 N3 C6 0.7(11) . .
C4 N2 N3 C6 174.2(8) . .
N5 C8 N4 C9 0.0(10) . .
N5 C8 N4 Ag2 169.4(6) . .
N6 C9 N4 C8 0.1(11) . .
N6 C9 N4 Ag2 -170.1(6) . .
N16 Ag2 N4 C8 -117.1(11) 2_755 .
N16 Ag2 N4 C9 50.2(13) 2_755 .
N4 C8 N5 N6 0.0(10) . .
N4 C8 N5 C7 176.5(7) . .
C2 C7 N5 C8 153.4(8) . .
C2 C7 N5 N6 -30.4(10) . .
N4 C9 N6 N5 -0.1(10) . .
C8 N5 N6 C9 0.1(9) . .
C7 N5 N6 C9 -176.7(7) . .
N8 C11 N7 C12 -0.5(9) . .
N8 C11 N7 Ag3 -168.7(5) . .
N9 C12 N7 C11 0.3(10) . .
N9 C12 N7 Ag3 167.3(6) . .
N7 C11 N8 N9 0.6(9) . .
N7 C11 N8 C10 179.3(7) . .
C3 C10 N8 C11 140.1(8) . .
C3 C10 N8 N9 -41.2(10) . .
N7 C12 N9 N8 0.0(10) . .
C11 N8 N9 C12 -0.4(9) . .
C10 N8 N9 C12 -179.2(7) . .
N11 C17 N10 C18 0.5(11) . .
N11 C17 N10 Ag1 -174.9(6) . .
N12 C18 N10 C17 -0.8(11) . .
N12 C18 N10 Ag1 175.0(6) . .
N1 Ag1 N10 C17 -167.5(15) . .
N1 Ag1 N10 C18 18(2) . .
N10 C17 N11 N12 -0.2(11) . .
N10 C17 N11 C16 -177.9(8) . .
C13 C16 N11 C17 97.1(11) . .
C13 C16 N11 N12 -80.4(10) . .
N10 C18 N12 N11 0.7(11) . .
C17 N11 N12 C18 -0.3(10) . .
C16 N11 N12 C18 177.6(7) . .
N14 C20 N13 C21 0.6(10) . .
N14 C20 N13 Ag3 176.9(5) . 2_666
N15 C21 N13 C20 -0.4(11) . .
N15 C21 N13 Ag3 -175.9(6) . 2_666
N13 C20 N14 N15 -0.6(10) . .
N13 C20 N14 C19 179.7(8) . .
C14 C19 N14 C20 46.3(11) . .
C14 C19 N14 N15 -133.5(7) . .
N13 C21 N15 N14 0.1(11) . .
C20 N14 N15 C21 0.3(10) . .
C19 N14 N15 C21 -179.9(8) . .
N18 C24 N16 C23 0.3(13) . .
N18 C24 N16 Ag2 -179.8(7) . 2_755
N17 C23 N16 C24 0.4(11) . .
N17 C23 N16 Ag2 -179.5(6) . 2_755
N16 C23 N17 N18 -1.0(11) . .
N16 C23 N17 C22 176.0(8) . .
C15 C22 N17 C23 14.1(14) . .
C15 C22 N17 N18 -169.1(8) . .
N16 C24 N18 N17 -0.8(13) . .
C23 N17 N18 C24 1.1(11) . .
C22 N17 N18 C24 -176.5(8) . .
C35 C36 O9 C28 -128.3(10) . .
C37 C36 O9 C28 56.3(14) . .
C29 C28 O9 C36 -160.6(10) . .
C27 C28 O9 C36 26.4(15) . .
