#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:50:39 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179515 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/12/4341298.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_4341298
loop_
_publ_author_name
'Wang, Lei'
'Yang, Weiting'
'Zhu, Wei'
'Guan, Xingang'
'Xie, Zhigang'
'Sun, Zhong-Ming'
_publ_section_title
;
 A nanosized {ag@ag12} "molecular windmill" templated by
 polyoxometalates anions.
;
_journal_issue                   21
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11584
_journal_page_last               11588
_journal_paper_doi               10.1021/ic501657p
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C120 H144 Ag13 N72 O190 P4 W48'
_chemical_formula_weight         15986.06
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_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                120.00
_cell_formula_units_Z            3
_cell_length_a                   21.6944(4)
_cell_length_b                   21.6944(4)
_cell_length_c                   51.068(2)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.12
_cell_measurement_theta_min      1.20
_cell_volume                     20814.9(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0435
_diffrn_reflns_av_sigmaI/netI    0.0330
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       62
_diffrn_reflns_limit_l_min       -63
_diffrn_reflns_number            44199
_diffrn_reflns_theta_full        26.12
_diffrn_reflns_theta_max         26.12
_diffrn_reflns_theta_min         1.20
_exptl_absorpt_coefficient_mu    20.832
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.5053
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.826
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             21333
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.953
_refine_diff_density_min         -2.303
_refine_diff_density_rms         0.232
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     672
_refine_ls_number_reflns         9199
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0386
_refine_ls_R_factor_gt           0.0283
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0724P)²+2.7302P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0922
_refine_ls_wR_factor_ref         0.1025
_reflns_number_gt                7813
_reflns_number_total             9199
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic501657p_si_001.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 4341298.cif.
;
_cod_original_sg_symbol_H-M      R-3
_cod_database_code               4341298
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
W1 W 0.230030(19) 0.601072(19) -0.022155(8) 0.02040(10) Uani 1 1 d .
W2 W 0.190401(19) 0.488293(19) 0.036906(8) 0.02096(10) Uani 1 1 d .
W3 W 0.29301(2) 0.55456(2) 0.091809(8) 0.02338(10) Uani 1 1 d .
W4 W 0.36007(2) 0.517974(19) 0.037061(8) 0.02102(10) Uani 1 1 d .
W5 W 1.07308(2) 0.10231(2) 0.775631(8) 0.02160(10) Uani 1 1 d .
W6 W 1.04972(2) 0.182338(19) 0.835466(7) 0.02166(10) Uani 1 1 d .
W7 W 0.87160(2) 0.05660(2) 0.833278(7) 0.02074(10) Uani 1 1 d .
W8 W 0.96836(2) 0.07800(2) 0.889510(7) 0.02064(10) Uani 1 1 d .
Ag1 Ag 0.85296(4) 0.40173(4) 0.305999(17) 0.0354(2) Uani 1 1 d .
Ag2 Ag 0.6667 0.3333 0.3333 0.0399(5) Uani 1 6 d S
Ag3 Ag 0.95994(5) 0.59154(5) 0.334219(18) 0.0379(2) Uani 1 1 d .
P1 P 0.3333 0.6667 0.03595(7) 0.0128(7) Uani 1 3 d S
P2 P 1.0000 0.0000 0.83360(7) 0.0139(8) Uani 1 3 d S
O1 O 0.3333 0.6667 0.0065(2) 0.016(2) Uani 1 3 d S
O2 O 0.2821(3) 0.6956(3) -0.03522(12) 0.0243(14) Uani 1 1 d .
O3 O 0.1646(3) 0.5585(4) -0.04482(14) 0.0281(15) Uani 1 1 d .
O4 O 0.2081(3) 0.5264(3) 0.00271(13) 0.0220(14) Uani 1 1 d .
O5 O 0.1132(3) 0.4097(3) 0.03369(14) 0.0302(16) Uani 1 1 d .
O6 O 0.2593(3) 0.4598(3) 0.03201(14) 0.0244(14) Uani 1 1 d .
O7 O 0.2075(3) 0.4887(3) 0.07356(13) 0.0226(14) Uani 1 1 d .
O8 O 0.2547(3) 0.6166(3) 0.09556(13) 0.0239(14) Uani 1 1 d .
O9 O 0.2800(4) 0.5156(4) 0.12189(14) 0.0358(17) Uani 1 1 d .
O10 O 0.3383(3) 0.5113(3) 0.07343(13) 0.0234(14) Uani 1 1 d .
O11 O 0.3881(4) 0.4571(4) 0.03431(15) 0.0341(17) Uani 1 1 d .
O12 O 0.3672(3) 0.5529(3) 0.00268(13) 0.0240(14) Uani 1 1 d .
O13 O 0.4456(3) 0.6028(3) 0.04399(13) 0.0250(15) Uani 1 1 d .
O14 O 0.4096(3) 0.7157(3) 0.04620(12) 0.0180(13) Uani 1 1 d .
O15 O 1.0786(4) 0.0214(3) 0.76303(13) 0.0281(15) Uani 1 1 d .
O16 O 1.1198(4) 0.1637(4) 0.75263(14) 0.0318(16) Uani 1 1 d .
O17 O 1.0000 0.0000 0.8035(2) 0.027(3) Uani 1 3 d S
O18 O 1.0512(4) 0.1526(4) 0.80024(13) 0.0286(16) Uani 1 1 d .
O19 O 1.0844(4) 0.2716(4) 0.83288(14) 0.0334(17) Uani 1 1 d .
O20 O 1.1300(4) 0.1731(4) 0.84093(13) 0.0268(15) Uani 1 1 d .
O21 O 0.9503(4) 0.1506(4) 0.82876(14) 0.0295(16) Uani 1 1 d .
O22 O 1.0268(4) 0.1683(4) 0.87113(13) 0.0303(16) Uani 1 1 d .
O23 O 0.8844(4) 0.0329(4) 0.79926(13) 0.0284(15) Uani 1 1 d .
O24 O 0.8019(4) 0.0707(4) 0.83025(14) 0.0335(17) Uani 1 1 d .
O25 O 0.8911(3) 0.0733(4) 0.87037(13) 0.0273(15) Uani 1 1 d .
O26 O 0.9559(4) 0.1071(4) 0.91874(13) 0.0322(16) Uani 1 1 d .
O27 O 0.9240(4) -0.0202(4) 0.89351(14) 0.0297(16) Uani 1 1 d .
O28 O 0.9444(3) -0.0741(4) 0.84335(13) 0.0262(15) Uani 1 1 d .
N1 N 0.6165(7) -0.0970(7) 0.1706(3) 0.074(4) Uani 1 1 d .
N2 N 0.6180(4) -0.0319(5) 0.20336(18) 0.033(2) Uani 1 1 d .
N3 N 0.6666(5) 0.1955(4) 0.29615(17) 0.032(2) Uani 1 1 d .
N4 N 0.7094(5) 0.2576(5) 0.30875(16) 0.033(2) Uani 1 1 d .
N5 N 0.7737(4) 0.2852(4) 0.29967(17) 0.0290(19) Uani 1 1 d .
N6 N 0.7759(4) 0.2442(5) 0.28045(18) 0.031(2) Uani 1 1 d .
N7 N 1.2573(6) 0.3477(6) 0.44198(19) 0.042(2) Uani 1 1 d .
N8 N 1.1738(4) 0.3528(4) 0.42148(16) 0.0265(18) Uani 1 1 d .
N9 N 1.0357(4) 0.5154(4) 0.35764(18) 0.0293(19) Uani 1 1 d .
N10 N 0.9879(4) 0.5116(4) 0.34044(18) 0.0286(19) Uani 1 1 d .
N11 N 0.9545(4) 0.4481(4) 0.32933(17) 0.0277(18) Uani 1 1 d .
N12 N 0.9811(4) 0.4100(4) 0.33980(17) 0.0266(18) Uani 1 1 d .
C1 C 0.5475(7) -0.1235(7) 0.1794(3) 0.056(4) Uani 1 1 d .
H1B H 0.5071 -0.1632 0.1729 0.068 Uiso 1 1 calc R
C2 C 0.6587(7) -0.0414(7) 0.1858(3) 0.052(4) Uani 1 1 d .
H2A H 0.7080 -0.0139 0.1845 0.063 Uiso 1 1 calc R
C3 C 0.5492(6) -0.0823(6) 0.1985(2) 0.045(3) Uani 1 1 d .
H3A H 0.5097 -0.0868 0.2073 0.054 Uiso 1 1 calc R
C4 C 0.6420(6) 0.0231(5) 0.2224(2) 0.030(2) Uani 1 1 d .
C5 C 0.7043(5) 0.0874(5) 0.2184(2) 0.032(2) Uani 1 1 d .
H5A H 0.7313 0.0944 0.2034 0.038 Uiso 1 1 calc R
C6 C 0.7263(6) 0.1416(6) 0.2372(2) 0.035(2) Uani 1 1 d .
H6B H 0.7677 0.1849 0.2346 0.042 Uiso 1 1 calc R
C7 C 0.6866(5) 0.1306(5) 0.25975(19) 0.023(2) Uani 1 1 d .
C8 C 0.6234(6) 0.0650(5) 0.2631(2) 0.034(2) Uani 1 1 d .
H8A H 0.5954 0.0575 0.2779 0.040 Uiso 1 1 calc R
C9 C 0.6028(5) 0.0122(6) 0.2448(2) 0.031(2) Uani 1 1 d .
H9B H 0.5618 -0.0314 0.2476 0.037 Uiso 1 1 calc R
C10 C 0.7088(5) 0.1882(5) 0.27911(19) 0.026(2) Uani 1 1 d .
C11 C 1.1974(10) 0.2858(9) 0.4458(3) 0.070(5) Uani 1 1 d .
H11A H 1.1927 0.2485 0.4562 0.084 Uiso 1 1 calc R
C12 C 1.2417(6) 0.3875(7) 0.4274(2) 0.041(3) Uani 1 1 d .
H12A H 1.2740 0.4336 0.4221 0.049 Uiso 1 1 calc R
C13 C 1.1453(7) 0.2868(6) 0.4320(2) 0.047(3) Uani 1 1 d .
H13A H 1.0988 0.2496 0.4301 0.057 Uiso 1 1 calc R
C14 C 1.1376(5) 0.3784(5) 0.4050(2) 0.026(2) Uani 1 1 d .
C15 C 1.1166(6) 0.3508(6) 0.3809(2) 0.033(2) Uani 1 1 d .
H15A H 1.1244 0.3146 0.3751 0.039 Uiso 1 1 calc R
C16 C 1.0832(5) 0.3762(5) 0.3645(2) 0.029(2) Uani 1 1 d .
H16A H 1.0695 0.3577 0.3477 0.035 Uiso 1 1 calc R
C17 C 1.0702(5) 0.4293(5) 0.3732(2) 0.028(2) Uani 1 1 d .
C18 C 1.0927(6) 0.4586(6) 0.3978(2) 0.036(3) Uani 1 1 d .
H18A H 1.0853 0.4951 0.4036 0.043 Uiso 1 1 calc R
C19 C 1.1266(6) 0.4327(5) 0.4140(2) 0.030(2) Uani 1 1 d .
H19A H 1.1418 0.4517 0.4306 0.036 Uiso 1 1 calc R
C20 C 1.0305(5) 0.4517(5) 0.3568(2) 0.028(2) Uani 1 1 d .
O1W O 0.1004(10) 0.7692(10) 0.0716(4) 0.161(8) Uani 1 1 d .
O2W O 0.9293(10) 0.6558(8) 0.1224(3) 0.128(6) Uani 1 1 d .
O3W O 0.1260(7) 0.7940(6) 0.1241(3) 0.092(4) Uani 1 1 d .
O4W O 0.9566(7) 0.7111(6) 0.0729(2) 0.090(4) Uani 1 1 d .
O5W O 0.9946(5) 0.2628(5) 0.2966(2) 0.069(3) Uani 1 1 d .
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'
P P 0.1023 0.0942 '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'
W W -0.8490 6.8722 '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
O3 W1 O2 103.4(3) . .
O3 W1 O2 102.5(3) . 2_665
O2 W1 O2 87.7(4) . 2_665
O3 W1 O12 102.3(3) . 3_565
O2 W1 O12 88.8(3) . 3_565
O2 W1 O12 155.1(3) 2_665 3_565
O3 W1 O4 101.8(3) . .
O2 W1 O4 154.8(3) . .
O2 W1 O4 88.0(3) 2_665 .
O12 W1 O4 84.7(3) 3_565 .
O3 W1 O1 173.8(3) . .
O2 W1 O1 72.9(2) . .
O2 W1 O1 72.7(2) 2_665 .
O12 W1 O1 82.7(2) 3_565 .
O4 W1 O1 82.2(2) . .
O5 W2 O4 103.5(3) . .
O5 W2 O6 101.7(3) . .
O4 W2 O6 90.0(3) . .
O5 W2 O7 101.0(3) . .
O4 W2 O7 155.4(3) . .
O6 W2 O7 87.0(3) . .
O5 W2 O13 102.5(3) . 3_565
O4 W2 O13 85.3(3) . 3_565
O6 W2 O13 155.8(3) . 3_565
O7 W2 O13 87.5(3) . 3_565
O5 W2 O14 170.9(3) . 3_565
O4 W2 O14 83.7(2) . 3_565
O6 W2 O14 72.5(2) . 3_565
O7 W2 O14 72.1(2) . 3_565
O13 W2 O14 83.4(2) 3_565 3_565
O9 W3 O8 102.6(3) . 2_665
O9 W3 O10 101.4(3) . .
O8 W3 O10 88.8(3) 2_665 .
O9 W3 O8 103.7(3) . .
O8 W3 O8 85.6(4) 2_665 .
O10 W3 O8 155.0(3) . .
O9 W3 O7 102.0(3) . .
O8 W3 O7 155.4(3) 2_665 .
O10 W3 O7 86.5(3) . .
O8 W3 O7 88.5(3) . .
O9 W3 O14 170.4(3) . 3_565
O8 W3 O14 83.8(2) 2_665 3_565
O10 W3 O14 71.3(2) . 3_565
O8 W3 O14 83.9(2) . 3_565
O7 W3 O14 71.8(2) . 3_565
O11 W4 O13 102.2(3) . .
O11 W4 O12 104.1(3) . .
O13 W4 O12 86.6(3) . .
O11 W4 O10 101.0(3) . .
O13 W4 O10 88.7(3) . .
O12 W4 O10 154.9(3) . .
O11 W4 O6 102.1(3) . .
O13 W4 O6 155.7(3) . .
O12 W4 O6 88.6(3) . .
O10 W4 O6 85.6(3) . .
O11 W4 O14 170.4(3) . 3_565
O13 W4 O14 83.7(2) . 3_565
O12 W4 O14 83.6(2) . 3_565
O10 W4 O14 71.4(2) . 3_565
O6 W4 O14 72.1(2) . 3_565
O16 W5 O18 103.6(3) . .
O16 W5 O15 103.9(3) . 2_645
O18 W5 O15 90.3(3) . 2_645
O16 W5 O15 101.6(3) . .
O18 W5 O15 154.5(3) . .
O15 W5 O15 87.7(4) 2_645 .
O16 W5 O23 100.8(3) . 3_765
O18 W5 O23 86.4(3) . 3_765
O15 W5 O23 155.1(3) 2_645 3_765
O15 W5 O23 84.9(3) . 3_765
O16 W5 O17 171.2(3) . .
O18 W5 O17 84.3(3) . .
O15 W5 O17 71.6(3) 2_645 .
O15 W5 O17 71.0(2) . .
O23 W5 O17 83.6(3) 3_765 .
O19 W6 O20 103.2(3) . .
O19 W6 O22 101.0(3) . .
O20 W6 O22 91.4(3) . .
O19 W6 O18 103.8(3) . .
O20 W6 O18 86.1(3) . .
O22 W6 O18 155.0(3) . .
O19 W6 O21 99.9(3) . .
O20 W6 O21 156.7(3) . .
O22 W6 O21 87.5(3) . .
O18 W6 O21 85.3(3) . .
O19 W6 O28 168.9(3) . 3_765
O20 W6 O28 85.8(3) . 3_765
O22 W6 O28 72.0(3) . 3_765
O18 W6 O28 82.9(3) . 3_765
O21 W6 O28 71.7(3) . 3_765
O24 W7 O23 103.5(3) . .
O24 W7 O21 101.4(3) . .
O23 W7 O21 90.3(3) . .
O24 W7 O20 103.2(3) . 2_645
O23 W7 O20 86.6(3) . 2_645
O21 W7 O20 155.2(3) . 2_645
O24 W7 O25 100.8(3) . .
O23 W7 O25 155.7(3) . .
O21 W7 O25 85.6(3) . .
O20 W7 O25 87.2(3) 2_645 .
O24 W7 O28 169.1(3) . 3_765
O23 W7 O28 85.0(3) . 3_765
O21 W7 O28 71.3(3) . 3_765
O20 W7 O28 83.9(3) 2_645 3_765
O25 W7 O28 71.0(3) . 3_765
O26 W8 O27 104.0(3) . .
O26 W8 O25 99.9(3) . .
O27 W8 O25 93.3(3) . .
O26 W8 O27 104.9(3) . 3_765
O27 W8 O27 85.1(4) . 3_765
O25 W8 O27 154.8(3) . 3_765
O26 W8 O22 101.1(3) . .
O27 W8 O22 154.6(3) . .
O25 W8 O22 85.4(3) . .
O27 W8 O22 85.5(3) 3_765 .
O26 W8 O28 167.6(3) . 3_765
O27 W8 O28 85.6(3) . 3_765
O25 W8 O28 71.4(3) . 3_765
O27 W8 O28 83.4(3) 3_765 3_765
O22 W8 O28 69.9(3) . 3_765
N11 Ag1 N5 127.1(3) . .
N11 Ag1 N3 119.5(3) . 2_655
N5 Ag1 N3 111.2(3) . 2_655
N4 Ag2 N4 98.3(2) 16_655 17
N4 Ag2 N4 179.998(2) 16_655 .
N4 Ag2 N4 81.7(2) 17 .
N4 Ag2 N4 98.3(2) 16_655 18_545
N4 Ag2 N4 98.3(2) 17 18_545
N4 Ag2 N4 81.7(2) . 18_545
N4 Ag2 N4 81.7(2) 16_655 2_655
N4 Ag2 N4 179.996(1) 17 2_655
N4 Ag2 N4 98.3(2) . 2_655
N4 Ag2 N4 81.7(2) 18_545 2_655
N4 Ag2 N4 81.7(2) 16_655 3_665
N4 Ag2 N4 81.7(2) 17 3_665
N4 Ag2 N4 98.3(2) . 3_665
N4 Ag2 N4 179.996(1) 18_545 3_665
N4 Ag2 N4 98.3(2) 2_655 3_665
N10 Ag3 N12 164.8(3) . 18_545
O1 P1 O14 109.8(3) . 2_665
O1 P1 O14 109.8(3) . .
O14 P1 O14 109.1(3) 2_665 .
O1 P1 O14 109.8(3) . 3_565
O14 P1 O14 109.1(3) 2_665 3_565
O14 P1 O14 109.1(3) . 3_565
O28 P2 O28 110.0(3) 2_645 .
O28 P2 O28 110.0(3) 2_645 3_765
O28 P2 O28 110.0(3) . 3_765
O28 P2 O17 108.9(3) 2_645 .
O28 P2 O17 108.9(3) . .
O28 P2 O17 108.9(3) 3_765 .
P1 O1 W1 126.7(2) . .
P1 O1 W1 126.7(2) . 3_565
W1 O1 W1 87.9(3) . 3_565
P1 O1 W1 126.7(2) . 2_665
W1 O1 W1 87.9(3) . 2_665
W1 O1 W1 87.9(3) 3_565 2_665
W1 O2 W1 126.3(3) . 3_565
W2 O4 W1 153.0(4) . .
W2 O6 W4 126.3(3) . .
W2 O7 W3 126.3(3) . .
W3 O8 W3 151.5(4) 3_565 .
W4 O10 W3 127.6(3) . .
W4 O12 W1 152.0(4) . 2_665
W4 O13 W2 150.9(4) . 2_665
P1 O14 W2 125.4(3) . 2_665
P1 O14 W3 126.1(4) . 2_665
W2 O14 W3 89.62(19) 2_665 2_665
P1 O14 W4 125.3(3) . 2_665
W2 O14 W4 89.16(19) 2_665 2_665
W3 O14 W4 89.69(19) 2_665 2_665
W5 O15 W5 127.9(4) 3_765 .
P2 O17 W5 125.7(2) . 2_645
P2 O17 W5 125.7(2) . 3_765
W5 O17 W5 89.4(3) 2_645 3_765
P2 O17 W5 125.7(2) . .
W5 O17 W5 89.4(3) 2_645 .
W5 O17 W5 89.4(3) 3_765 .
W5 O18 W6 151.2(4) . .
W6 O20 W7 150.7(4) . 3_765
W7 O21 W6 126.9(4) . .
W6 O22 W8 127.9(4) . .
W7 O23 W5 149.8(4) . 2_645
W8 O25 W7 128.2(4) . .
W8 O27 W8 151.5(4) . 2_645
P2 O28 W6 126.1(4) . 2_645
P2 O28 W7 125.3(4) . 2_645
W6 O28 W7 90.0(2) 2_645 2_645
P2 O28 W8 124.7(4) . 2_645
W6 O28 W8 90.0(2) 2_645 2_645
W7 O28 W8 89.4(2) 2_645 2_645
C2 N1 C1 107.3(12) . .
C2 N2 C3 107.2(10) . .
C2 N2 C4 126.3(9) . .
C3 N2 C4 126.4(9) . .
C10 N3 N4 105.0(8) . .
C10 N3 Ag1 140.3(7) . 3_665
N4 N3 Ag1 113.9(6) . 3_665
N5 N4 N3 109.4(8) . .
N5 N4 Ag2 121.7(7) . .
N3 N4 Ag2 125.4(6) . .
N4 N5 N6 110.0(8) . .
N4 N5 Ag1 120.4(7) . .
N6 N5 Ag1 125.9(6) . .
N5 N6 C10 104.6(8) . .
C12 N7 C11 107.8(11) . .
C12 N8 C13 107.7(10) . .
C12 N8 C14 126.0(9) . .
C13 N8 C14 126.2(9) . .
N10 N9 C20 104.9(8) . .
N11 N10 N9 110.7(7) . .
N11 N10 Ag3 123.6(6) . .
N9 N10 Ag3 125.4(6) . .
N10 N11 N12 107.0(8) . .
N10 N11 Ag1 126.7(6) . .
N12 N11 Ag1 124.4(6) . .
C20 N12 N11 107.1(8) . .
C20 N12 Ag3 134.3(7) . 17
N11 N12 Ag3 117.0(6) . 17
C3 C1 N1 107.6(12) . .
N1 C2 N2 108.5(12) . .
C1 C3 N2 109.3(11) . .
C9 C4 C5 120.3(10) . .
C9 C4 N2 119.4(9) . .
C5 C4 N2 120.3(9) . .
C4 C5 C6 119.4(10) . .
C7 C6 C5 120.2(10) . .
C6 C7 C8 118.9(10) . .
C6 C7 C10 120.1(9) . .
C8 C7 C10 121.0(9) . .
C9 C8 C7 120.5(10) . .
C8 C9 C4 120.7(10) . .
N3 C10 N6 110.9(9) . .
N3 C10 C7 126.0(9) . .
N6 C10 C7 122.9(9) . .
N7 C11 C13 108.1(13) . .
N7 C12 N8 109.8(11) . .
C11 C13 N8 106.4(13) . .
C15 C14 C19 121.0(10) . .
C15 C14 N8 119.5(9) . .
C19 C14 N8 119.5(9) . .
C14 C15 C16 120.2(10) . .
C17 C16 C15 120.0(10) . .
C16 C17 C18 120.0(10) . .
C16 C17 C20 119.8(10) . .
C18 C17 C20 120.2(9) . .
C17 C18 C19 119.2(9) . .
C14 C19 C18 119.6(10) . .
N12 C20 N9 110.3(9) . .
N12 C20 C17 124.4(9) . .
N9 C20 C17 125.2(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O3 1.702(7) .
W1 O2 1.900(6) .
W1 O2 1.913(6) 2_665
W1 O12 1.916(6) 3_565
W1 O4 1.921(6) .
W1 O1 2.450(6) .
W2 O5 1.698(7) .
W2 O4 1.888(7) .
W2 O6 1.898(6) .
W2 O7 1.907(6) .
W2 O13 1.934(6) 3_565
W2 O14 2.423(6) 3_565
W3 O9 1.707(7) .
W3 O8 1.900(6) 2_665
W3 O10 1.911(7) .
W3 O8 1.913(6) .
W3 O7 1.924(6) .
W3 O14 2.427(6) 3_565
W4 O11 1.713(7) .
W4 O13 1.881(6) .
W4 O12 1.888(7) .
W4 O10 1.904(7) .
W4 O6 1.918(6) .
W4 O14 2.428(6) 3_565
W5 O16 1.683(7) .
W5 O18 1.874(7) .
W5 O15 1.889(7) 2_645
W5 O15 1.929(7) .
W5 O23 1.935(7) 3_765
W5 O17 2.438(7) .
W6 O19 1.696(7) .
W6 O20 1.870(6) .
W6 O22 1.872(7) .
W6 O18 1.917(7) .
W6 O21 1.939(7) .
W6 O28 2.416(6) 3_765
W7 O24 1.693(7) .
W7 O23 1.872(7) .
W7 O21 1.909(7) .
W7 O20 1.918(6) 2_645
W7 O25 1.935(7) .
W7 O28 2.449(7) 3_765
W8 O26 1.694(7) .
W8 O27 1.859(7) .
W8 O25 1.899(7) .
W8 O27 1.930(7) 3_765
W8 O22 1.961(7) .
W8 O28 2.452(7) 3_765
Ag1 N11 2.251(8) .
Ag1 N5 2.259(8) .
Ag1 N3 2.282(9) 2_655
Ag2 N4 2.579(9) 16_655
Ag2 N4 2.579(9) 17
Ag2 N4 2.579(9) .
Ag2 N4 2.579(9) 18_545
Ag2 N4 2.579(9) 2_655
Ag2 N4 2.579(9) 3_665
Ag3 N10 2.128(8) .
Ag3 N12 2.133(8) 18_545
P1 O1 1.503(11) .
P1 O14 1.544(6) 2_665
P1 O14 1.544(6) .
P1 O14 1.544(6) 3_565
P2 O28 1.533(7) 2_645
P2 O28 1.533(7) .
P2 O28 1.533(7) 3_765
P2 O17 1.537(12) .
O1 W1 2.450(6) 3_565
O1 W1 2.450(6) 2_665
O2 W1 1.913(6) 3_565
O8 W3 1.900(6) 3_565
O12 W1 1.916(6) 2_665
O13 W2 1.934(6) 2_665
O14 W2 2.423(6) 2_665
O14 W3 2.427(6) 2_665
O14 W4 2.428(6) 2_665
O15 W5 1.889(7) 3_765
O17 W5 2.438(7) 2_645
O17 W5 2.438(7) 3_765
O20 W7 1.918(6) 3_765
O23 W5 1.935(7) 2_645
O27 W8 1.930(7) 2_645
O28 W6 2.416(6) 2_645
O28 W7 2.449(7) 2_645
O28 W8 2.452(7) 2_645
N1 C2 1.339(17) .
N1 C1 1.383(18) .
N2 C2 1.344(15) .
N2 C3 1.361(14) .
N2 C4 1.423(13) .
N3 C10 1.328(13) .
N3 N4 1.357(12) .
N3 Ag1 2.282(9) 3_665
N4 N5 1.298(12) .
N5 N6 1.342(12) .
N6 C10 1.354(13) .
N7 C12 1.305(15) .
N7 C11 1.34(2) .
N8 C12 1.311(14) .
N8 C13 1.355(14) .
N8 C14 1.439(12) .
N9 N10 1.330(11) .
N9 C20 1.331(12) .
N10 N11 1.321(11) .
N11 N12 1.334(11) .
N12 C20 1.324(13) .
N12 Ag3 2.133(8) 17
C1 C3 1.309(17) .
C4 C9 1.373(14) .
C4 C5 1.389(14) .
C5 C6 1.405(15) .
C6 C7 1.385(14) .
C7 C8 1.409(14) .
C7 C10 1.473(14) .
C8 C9 1.368(15) .
C11 C13 1.342(19) .
C14 C15 1.348(14) .
C14 C19 1.390(14) .
C15 C16 1.388(14) .
C16 C17 1.388(14) .
C17 C18 1.386(15) .
C17 C20 1.444(14) .
C18 C19 1.397(15) .
