#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:22:40 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179409 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/06/4330606.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_4330606
loop_
_publ_author_name
'James J. Henkelis'
'Sarah A. Barnett'
'Lindsay P. Harding'
'Michaele J. Hardie'
_publ_section_title
;
 Coordination Polymers Utilizing N-Oxide Functionalized Host Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10657
_journal_page_last               10674
_journal_paper_doi               10.1021/ic300940k
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C114 H132 Ag2 B2 F8 N12 O24'
_chemical_formula_weight         2443.68
_chemical_name_systematic
; 
tetra(N-methylpyrrolidone)bis{2,7,12-trimethoxy-3,8,13
-tris(2-N-oxide-pyridylmethoxy)-10,15-dihydro
-5H-tribenzo[a,d,g]cyclononatriene}disilver(I) tetrafluoroborate
N-methylpyrrolidone clathrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 111.184(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   22.0843(11)
_cell_length_b                   12.7697(7)
_cell_length_c                   21.5212(11)
_cell_measurement_temperature    150(2)
_cell_volume                     5659.1(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'X-Seed (Barbour)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'BRUKER X8 CCD area detector'
_diffrn_measurement_method       'ω, π- scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0385
_diffrn_reflns_av_sigmaI/netI    0.0566
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            19444
_diffrn_reflns_theta_full        23.60
_diffrn_reflns_theta_max         23.60
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    0.437
_exptl_absorpt_correction_T_max  0.9495
_exptl_absorpt_correction_T_min  0.9255
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.434
_exptl_crystal_description       block
_exptl_crystal_F_000             2536
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.564
_refine_diff_density_min         -0.914
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     641
_refine_ls_number_reflns         8388
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.1264
_refine_ls_R_factor_gt           0.0941
_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)+(0.1931P)²+19.8829P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2703
_refine_ls_wR_factor_ref         0.3055
_reflns_number_gt                5794
_reflns_number_total             8388
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic300940k_si_002_12.cif
_cod_data_source_block           c:'complex9'
_cod_database_code               4330606
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ag1 Ag 0.73551(3) 0.19623(6) 0.00087(3) 0.0510(3) Uani 1 1 d .
O3 O 0.6347(2) 0.2498(5) -0.0171(2) 0.0389(13) Uani 1 1 d .
O2 O 0.4679(2) 0.3751(4) -0.0178(2) 0.0354(12) Uani 1 1 d .
N1 N 0.6036(3) 0.3167(5) -0.0659(3) 0.0298(14) Uani 1 1 d .
O1 O 0.3528(3) 0.4507(4) -0.0440(3) 0.0433(14) Uani 1 1 d .
O7 O 0.3111(3) 0.6326(4) 0.3077(3) 0.0428(14) Uani 1 1 d .
O4 O 0.6658(3) 0.4355(5) 0.2937(3) 0.0508(15) Uani 1 1 d .
O9 O 0.2355(4) 0.7824(6) 0.0943(3) 0.071(2) Uani 1 1 d .
O5 O 0.6279(3) 0.4951(4) 0.3893(3) 0.0471(15) Uani 1 1 d .
C28 C 0.6255(4) 0.3402(6) -0.1151(4) 0.0340(17) Uani 1 1 d .
H28 H 0.6647 0.3096 -0.1151 0.041 Uiso 1 1 calc R
O8 O 0.2286(3) 0.6097(5) 0.1871(3) 0.0510(15) Uani 1 1 d .
C2 C 0.3703(4) 0.3049(5) 0.1116(4) 0.0299(16) Uani 1 1 d .
C6 C 0.4674(4) 0.2926(5) 0.0838(4) 0.0305(17) Uani 1 1 d .
H6 H 0.5103 0.2673 0.0938 0.037 Uiso 1 1 calc R
C24 C 0.5472(3) 0.3597(5) -0.0649(3) 0.0281(16) Uani 1 1 d .
C7 C 0.4336(3) 0.2689(5) 0.1285(3) 0.0277(16) Uani 1 1 d .
C15 C 0.4221(4) 0.2973(6) 0.2987(4) 0.0367(18) Uani 1 1 d .
H15A H 0.4269 0.2907 0.3460 0.044 Uiso 1 1 calc R
H15B H 0.4088 0.2281 0.2774 0.044 Uiso 1 1 calc R
C25 C 0.5132(4) 0.4282(6) -0.1151(4) 0.0341(17) Uani 1 1 d .
H25 H 0.4740 0.4584 -0.1147 0.041 Uiso 1 1 calc R
C20 C 0.2791(4) 0.4443(7) 0.1731(4) 0.0396(19) Uani 1 1 d .
H20 H 0.2491 0.4370 0.1287 0.048 Uiso 1 1 calc R
C9 C 0.5103(4) 0.2882(5) 0.2468(4) 0.0320(17) Uani 1 1 d .
C23 C 0.5278(4) 0.3271(6) -0.0077(4) 0.0324(17) Uani 1 1 d .
H23A H 0.5237 0.2500 -0.0067 0.039 Uiso 1 1 calc R
H23B H 0.5607 0.3502 0.0351 0.039 Uiso 1 1 calc R
C13 C 0.5277(4) 0.3958(6) 0.3442(3) 0.0327(17) Uani 1 1 d .
H13 H 0.5133 0.4197 0.3783 0.039 Uiso 1 1 calc R
C21 C 0.3266(4) 0.3674(6) 0.1994(4) 0.0344(18) Uani 1 1 d .
C19 C 0.2745(4) 0.5303(6) 0.2097(4) 0.0374(18) Uani 1 1 d .
C18 C 0.3181(4) 0.5415(6) 0.2751(4) 0.0349(18) Uani 1 1 d .
C16 C 0.3686(4) 0.3763(6) 0.2650(3) 0.0325(17) Uani 1 1 d .
N3 N 0.1748(5) 0.7845(8) 0.0896(4) 0.066(2) Uani 1 1 d .
C14 C 0.4876(4) 0.3260(6) 0.2952(4) 0.0345(18) Uani 1 1 d .
C17 C 0.3642(4) 0.4644(6) 0.3020(4) 0.0333(17) Uani 1 1 d .
H17 H 0.3937 0.4715 0.3467 0.040 Uiso 1 1 calc R
C5 C 0.4389(3) 0.3505(5) 0.0276(3) 0.0282(16) Uani 1 1 d .
C38 C 0.1460(5) 0.6983(9) 0.1015(5) 0.066(3) Uani 1 1 d .
C12 C 0.5867(4) 0.4299(6) 0.3438(4) 0.040(2) Uani 1 1 d .
C22 C 0.2909(4) 0.5007(8) -0.0576(5) 0.056(2) Uani 1 1 d .
H22A H 0.2566 0.4476 -0.0695 0.085 Uiso 1 1 calc R
H22B H 0.2827 0.5500 -0.0947 0.085 Uiso 1 1 calc R
H22C H 0.2913 0.5387 -0.0179 0.085 Uiso 1 1 calc R
C26 C 0.5346(4) 0.4535(6) -0.1656(4) 0.0346(17) Uani 1 1 d .
H26 H 0.5111 0.5009 -0.1998 0.041 Uiso 1 1 calc R
C3 C 0.3430(4) 0.3669(6) 0.0533(4) 0.0343(18) Uani 1 1 d .
H3 H 0.2999 0.3921 0.0418 0.041 Uiso 1 1 calc R
C27 C 0.5920(3) 0.4073(6) -0.1650(4) 0.0325(17) Uani 1 1 d .
H27 H 0.6079 0.4227 -0.1995 0.039 Uiso 1 1 calc R
C10 C 0.5702(4) 0.3243(6) 0.2464(4) 0.0316(17) Uani 1 1 d .
H10 H 0.5853 0.2988 0.2131 0.038 Uiso 1 1 calc R
C4 C 0.3766(4) 0.3912(6) 0.0137(3) 0.0314(17) Uani 1 1 d .
C36 C 0.3533(4) 0.6440(7) 0.3761(4) 0.047(2) Uani 1 1 d .
H36A H 0.3453 0.5868 0.4026 0.071 Uiso 1 1 calc R
H36B H 0.3447 0.7112 0.3933 0.071 Uiso 1 1 calc R
H36C H 0.3986 0.6417 0.3791 0.071 Uiso 1 1 calc R
C30 C 0.6094(4) 0.5222(7) 0.4443(4) 0.046(2) Uani 1 1 d .
H30A H 0.6029 0.4579 0.4669 0.055 Uiso 1 1 calc R
H30B H 0.5681 0.5619 0.4284 0.055 Uiso 1 1 calc R
C11 C 0.6083(4) 0.3954(6) 0.2925(4) 0.0378(18) Uani 1 1 d .
C39 C 0.0830(7) 0.7026(12) 0.0980(7) 0.099(5) Uani 1 1 d .
H39 H 0.0632 0.6421 0.1079 0.119 Uiso 1 1 calc R
C40 C 0.0482(9) 0.7939(17) 0.0801(10) 0.150(9) Uani 1 1 d .
H40 H 0.0042 0.7967 0.0770 0.181 Uiso 1 1 calc R
C42 C 0.1378(9) 0.8733(12) 0.0712(8) 0.122(7) Uani 1 1 d .
H42 H 0.1566 0.9346 0.0608 0.147 Uiso 1 1 calc R
O6 O 0.5909(4) 0.6186(5) 0.5453(3) 0.069(2) Uani 1 1 d .
C8 C 0.4719(4) 0.2115(5) 0.1924(4) 0.0325(17) Uani 1 1 d .
H8A H 0.5022 0.1616 0.1837 0.039 Uiso 1 1 calc R
H8B H 0.4418 0.1710 0.2078 0.039 Uiso 1 1 calc R
N2 N 0.6483(5) 0.6348(6) 0.5416(3) 0.057(2) Uani 1 1 d .
C1 C 0.3292(4) 0.2780(7) 0.1532(4) 0.0373(18) Uani 1 1 d .
H1A H 0.3474 0.2149 0.1802 0.045 Uiso 1 1 calc R
H1B H 0.2845 0.2612 0.1229 0.045 Uiso 1 1 calc R
O10 O 0.8231(4) 0.0921(7) 0.0497(4) 0.077(2) Uani 1 1 d .
C31 C 0.6622(5) 0.5878(6) 0.4922(4) 0.048(2) Uani 1 1 d .
C37 C 0.1860(4) 0.6014(9) 0.1191(5) 0.062(3) Uani 1 1 d .
H37A H 0.1576 0.5393 0.1131 0.074 Uiso 1 1 calc R
H37B H 0.2115 0.5937 0.0898 0.074 Uiso 1 1 calc R
C43 C 0.8418(5) 0.0578(8) 0.1094(6) 0.059(3) Uani 1 1 d .
C32 C 0.7231(5) 0.6038(7) 0.4877(4) 0.061(3) Uani 1 1 d .
H32 H 0.7325 0.5718 0.4524 0.074 Uiso 1 1 calc R
N4 N 0.8987(5) 0.0177(9) 0.1416(5) 0.091(3) Uani 1 1 d .
C44 C 0.8045(5) 0.0513(9) 0.1525(6) 0.070(3) Uani 1 1 d .
H44A H 0.7676 0.0025 0.1337 0.084 Uiso 1 1 calc R
H44B H 0.7874 0.1211 0.1577 0.084 Uiso 1 1 calc R
C46 C 0.9100(7) -0.0250(12) 0.2040(7) 0.106(5) Uani 1 1 d .
H46A H 0.9506 0.0025 0.2376 0.128 Uiso 1 1 calc R
H46B H 0.9123 -0.1024 0.2031 0.128 Uiso 1 1 calc R
C45 C 0.8501(8) 0.0121(17) 0.2179(8) 0.139(7) Uani 1 1 d .
H45A H 0.8304 -0.0464 0.2341 0.167 Uiso 1 1 calc R
H45B H 0.8617 0.0687 0.2516 0.167 Uiso 1 1 calc R
C41 C 0.0762(9) 0.8765(15) 0.0675(9) 0.135(8) Uani 1 1 d .
H51 H 0.0524 0.9400 0.0554 0.161 Uiso 1 1 calc R
C35 C 0.6913(6) 0.6964(7) 0.5876(5) 0.064(3) Uani 1 1 d .
H35 H 0.6799 0.7287 0.6216 0.077 Uiso 1 1 calc R
C33 C 0.7702(6) 0.6656(8) 0.5336(5) 0.073(3) Uani 1 1 d .
H33 H 0.8119 0.6762 0.5310 0.087 Uiso 1 1 calc R
C34 C 0.7522(7) 0.7117(8) 0.5844(5) 0.076(4) Uani 1 1 d .
H34 H 0.7828 0.7542 0.6172 0.091 Uiso 1 1 calc R
C47 C 0.9473(6) 0.0084(16) 0.1077(9) 0.132(7) Uani 1 1 d .
H47A H 0.9385 -0.0553 0.0805 0.198 Uiso 1 1 calc R
H47B H 0.9912 0.0048 0.1414 0.198 Uiso 1 1 calc R
H47C H 0.9439 0.0696 0.0792 0.198 Uiso 1 1 calc R
C29 C 0.6926(5) 0.3896(10) 0.2501(5) 0.071(3) Uani 1 1 d .
H29A H 0.6950 0.3135 0.2565 0.106 Uiso 1 1 calc R
H29B H 0.7364 0.4175 0.2594 0.106 Uiso 1 1 calc R
H29C H 0.6652 0.4058 0.2039 0.106 Uiso 1 1 calc R
N6 N 0.8583(9) 0.7391(17) 0.3618(10) 0.153(6) Uiso 1 1 d .
C55 C 0.7881(10) 0.6552(18) 0.2698(11) 0.149(7) Uiso 1 1 d .
H55A H 0.7929 0.6233 0.2299 0.179 Uiso 1 1 calc R
H55B H 0.7413 0.6657 0.2610 0.179 Uiso 1 1 calc R
C56 C 0.8232(12) 0.755(2) 0.2863(12) 0.174(9) Uiso 1 1 d .
H56A H 0.7933 0.8153 0.2762 0.209 Uiso 1 1 calc R
H56B H 0.8542 0.7629 0.2629 0.209 Uiso 1 1 calc R
O12 O 0.8843(12) 0.623(2) 0.4439(14) 0.279(11) Uiso 1 1 d .
C53 C 0.8550(12) 0.662(2) 0.3832(14) 0.157(8) Uiso 1 1 d .
C57 C 0.8966(14) 0.815(2) 0.4142(15) 0.217(13) Uiso 1 1 d .
H57A H 0.9322 0.7780 0.4483 0.326 Uiso 1 1 calc R
H57B H 0.8682 0.8470 0.4349 0.326 Uiso 1 1 calc R
H57C H 0.9145 0.8696 0.3939 0.326 Uiso 1 1 calc R
C54 C 0.8185(18) 0.587(3) 0.3299(18) 0.282(18) Uiso 1 1 d .
H54A H 0.7850 0.5499 0.3418 0.338 Uiso 1 1 calc R
H54B H 0.8482 0.5353 0.3219 0.338 Uiso 1 1 calc R
O11 O 0.8174(9) 0.3388(14) 0.0575(9) 0.186(6) Uiso 1 1 d .
N5 N 0.8730(7) 0.3129(11) 0.1730(8) 0.120(4) Uiso 1 1 d .
C48 C 0.8639(8) 0.3240(13) 0.1142(10) 0.110(5) Uiso 1 1 d D
C49 C 0.9251(10) 0.332(2) 0.0964(11) 0.170(9) Uiso 1 1 d D
H49A H 0.9325 0.4037 0.0834 0.205 Uiso 1 1 calc R
H49B H 0.9245 0.2816 0.0611 0.205 Uiso 1 1 calc R
C52 C 0.8292(15) 0.323(2) 0.2051(15) 0.214(12) Uiso 1 1 d .
H52A H 0.8370 0.2682 0.2387 0.321 Uiso 1 1 calc R
H52B H 0.7848 0.3171 0.1725 0.321 Uiso 1 1 calc R
H52C H 0.8348 0.3920 0.2267 0.321 Uiso 1 1 calc R
C51 C 0.9404(10) 0.3259(16) 0.2129(10) 0.141(7) Uiso 1 1 d D
H51A H 0.9538 0.2773 0.2513 0.169 Uiso 1 1 calc R
H51B H 0.9496 0.3987 0.2295 0.169 Uiso 1 1 calc R
C50 C 0.9742(12) 0.301(2) 0.1656(11) 0.198(11) Uiso 1 1 d D
H50A H 0.9845 0.2250 0.1670 0.238 Uiso 1 1 calc R
H50B H 1.0149 0.3412 0.1766 0.238 Uiso 1 1 calc R
F1 F 0.0226(6) 0.0939(9) 0.3480(6) 0.155(4) Uiso 1 1 d D
F2 F 0.1285(6) 0.0791(11) 0.3527(7) 0.183(5) Uiso 1 1 d D
F3 F 0.0825(8) 0.2404(13) 0.3684(8) 0.217(6) Uiso 1 1 d D
F4 F 0.0659(11) 0.1486(19) 0.2756(10) 0.291(9) Uiso 1 1 d D
B1 B 0.0760(8) 0.1420(13) 0.3427(10) 0.128(7) Uiso 1 1 d 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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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
O3 Ag1 O10 153.3(2) . .
O3 Ag1 O9 112.3(2) . 3_665
O10 Ag1 O9 90.9(3) . 3_665
O3 Ag1 O11 110.9(4) . .
O10 Ag1 O11 81.8(5) . .
O9 Ag1 O11 87.9(4) 3_665 .
N1 O3 Ag1 122.1(4) . .
C5 O2 C23 116.3(5) . .
O3 N1 C28 122.2(6) . .
O3 N1 C24 117.1(5) . .
C28 N1 C24 120.7(6) . .
C4 O1 C22 116.7(6) . .
C18 O7 C36 116.8(6) . .
C11 O4 C29 116.5(7) . .
N3 O9 Ag1 121.3(6) . 3_665
C12 O5 C30 115.4(7) . .
N1 C28 C27 120.8(7) . .
C19 O8 C37 115.6(6) . .
C7 C2 C3 118.8(6) . .
C7 C2 C1 121.8(7) . .
C3 C2 C1 119.4(7) . .
C5 C6 C7 121.3(7) . .
N1 C24 C25 118.8(6) . .
N1 C24 C23 115.7(6) . .
C25 C24 C23 125.5(7) . .
C2 C7 C6 117.9(7) . .
C2 C7 C8 125.2(6) . .
C6 C7 C8 116.8(6) . .
C14 C15 C16 114.0(6) . .
C26 C25 C24 121.5(7) . .
C19 C20 C21 121.8(7) . .
C14 C9 C10 119.0(7) . .
C14 C9 C8 123.0(7) . .
C10 C9 C8 117.9(6) . .
O2 C23 C24 106.6(6) . .
C12 C13 C14 122.2(7) . .
C16 C21 C20 118.9(7) . .
C16 C21 C1 123.8(7) . .
C20 C21 C1 117.3(7) . .
C20 C19 O8 125.1(7) . .
C20 C19 C18 119.5(7) . .
O8 C19 C18 115.4(7) . .
C17 C18 O7 125.4(7) . .
C17 C18 C19 119.0(7) . .
O7 C18 C19 115.6(7) . .
C21 C16 C17 119.2(7) . .
C21 C16 C15 123.2(7) . .
C17 C16 C15 117.5(7) . .
O9 N3 C38 120.8(8) . .
O9 N3 C42 121.8(11) . .
C38 N3 C42 117.4(11) . .
C9 C14 C13 118.4(7) . .
C9 C14 C15 123.9(7) . .
C13 C14 C15 117.7(6) . .
C18 C17 C16 121.6(7) . .
C6 C5 O2 124.5(6) . .
C6 C5 C4 119.6(7) . .
O2 C5 C4 115.9(6) . .
N3 C38 C39 120.0(11) . .
N3 C38 C37 116.9(9) . .
C39 C38 C37 123.1(12) . .
O5 C12 C13 125.6(7) . .
O5 C12 C11 115.1(8) . .
C13 C12 C11 119.4(7) . .
C25 C26 C27 117.8(7) . .
C4 C3 C2 122.0(7) . .
C28 C27 C26 120.4(7) . .
C11 C10 C9 122.8(7) . .
C3 C4 O1 125.0(7) . .
C3 C4 C5 120.1(7) . .
O1 C4 C5 114.8(6) . .
O5 C30 C31 108.7(7) . .
O4 C11 C10 125.6(7) . .
O4 C11 C12 116.3(7) . .
C10 C11 C12 118.2(7) . .
C38 C39 C40 120.3(15) . .
C41 C40 C39 119.2(15) . .
C41 C42 N3 122.1(15) . .
C7 C8 C9 111.0(6) . .
O6 N2 C35 119.0(9) . .
O6 N2 C31 118.5(8) . .
C35 N2 C31 122.5(11) . .
C2 C1 C21 112.6(6) . .
C43 O10 Ag1 125.4(6) . .
N2 C31 C32 119.2(9) . .
N2 C31 C30 116.6(9) . .
C32 C31 C30 124.2(8) . .
O8 C37 C38 108.0(8) . .
O10 C43 N4 124.8(10) . .
O10 C43 C44 127.8(9) . .
N4 C43 C44 107.4(11) . .
C33 C32 C31 121.7(11) . .
C43 N4 C46 118.2(12) . .
C43 N4 C47 119.6(12) . .
C46 N4 C47 121.9(12) . .
C43 C44 C45 106.2(10) . .
N4 C46 C45 101.6(10) . .
C44 C45 C46 104.8(12) . .
C40 C41 C42 120.9(14) . .
N2 C35 C34 119.0(10) . .
C32 C33 C34 115.8(12) . .
C35 C34 C33 121.8(10) . .
C53 N6 C57 112(3) . .
C53 N6 C56 118(3) . .
C57 N6 C56 130(2) . .
C56 C55 C54 105(2) . .
C55 C56 N6 99(2) . .
N6 C53 O12 132(3) . .
N6 C53 C54 111(3) . .
O12 C53 C54 116(3) . .
C53 C54 C55 104(3) . .
C48 O11 Ag1 122.1(14) . .
C48 N5 C52 129(2) . .
C48 N5 C51 110.8(17) . .
C52 N5 C51 117(2) . .
N5 C48 O11 140.8(19) . .
N5 C48 C49 116.0(18) . .
O11 C48 C49 103.0(17) . .
C48 C49 C50 96.7(17) . .
N5 C51 C50 103.4(18) . .
C51 C50 C49 104.5(19) . .
F3 B1 F2 121.5(16) . .
F3 B1 F1 110.4(15) . .
F2 B1 F1 115.5(15) . .
F3 B1 F4 108.8(18) . .
F2 B1 F4 90.5(15) . .
F1 B1 F4 107.2(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 O3 2.224(5) .
Ag1 O10 2.269(7) .
Ag1 O9 2.373(7) 3_665
Ag1 O11 2.546(18) .
O3 N1 1.335(8) .
O2 C5 1.383(8) .
O2 C23 1.402(9) .
N1 C28 1.347(9) .
N1 C24 1.369(9) .
O1 C4 1.386(9) .
O1 C22 1.441(10) .
O7 C18 1.395(9) .
O7 C36 1.437(10) .
O4 C11 1.361(10) .
O4 C29 1.407(12) .
O9 N3 1.307(11) .
O9 Ag1 2.373(7) 3_665
O5 C12 1.355(10) .
O5 C30 1.428(10) .
C28 C27 1.363(11) .
O8 C19 1.392(10) .
O8 C37 1.429(11) .
C2 C7 1.388(10) .
C2 C3 1.421(11) .
C2 C1 1.527(10) .
C6 C5 1.362(11) .
C6 C7 1.448(10) .
C24 C25 1.382(10) .
C24 C23 1.501(10) .
C7 C8 1.518(11) .
C15 C14 1.518(11) .
C15 C16 1.523(11) .
C25 C26 1.371(11) .
C20 C19 1.377(11) .
C20 C21 1.400(12) .
C9 C14 1.395(11) .
C9 C10 1.406(11) .
C9 C8 1.527(10) .
C13 C12 1.376(11) .
C13 C14 1.419(11) .
C21 C16 1.385(11) .
C21 C1 1.529(11) .
C19 C18 1.395(11) .
C18 C17 1.384(11) .
C16 C17 1.402(11) .
N3 C38 1.341(14) .
N3 C42 1.370(15) .
C5 C4 1.398(10) .
C38 C39 1.367(16) .
C38 C37 1.487(14) .
C12 C11 1.422(11) .
C26 C27 1.394(11) .
C3 C4 1.352(10) .
C10 C11 1.383(11) .
C30 C31 1.502(12) .
C39 C40 1.373(19) .
C40 C41 1.30(3) .
C42 C41 1.34(2) .
O6 N2 1.315(11) .
N2 C35 1.349(13) .
N2 C31 1.349(12) .
O10 C43 1.275(13) .
C31 C32 1.397(14) .
C43 N4 1.301(14) .
C43 C44 1.447(15) .
C32 C33 1.393(14) .
N4 C46 1.386(17) .
N4 C47 1.504(17) .
C44 C45 1.490(18) .
C46 C45 1.53(2) .
C35 C34 1.387(18) .
C33 C34 1.420(18) .
N6 C53 1.10(3) .
N6 C57 1.50(3) .
N6 C56 1.54(3) .
C55 C56 1.46(3) .
C55 C54 1.50(4) .
O12 C53 1.33(3) .
C53 C54 1.49(4) .
O11 C48 1.29(2) .
N5 C48 1.21(2) .
N5 C52 1.38(3) .
N5 C51 1.43(2) .
C48 C49 1.535(16) .
C49 C50 1.544(17) .
C51 C50 1.499(17) .
F1 B1 1.372(12) .
F2 B1 1.361(12) .
F3 B1 1.359(12) .
F4 B1 1.381(11) .
