#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:44:41 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179861 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/57/7015727.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_7015727
loop_
_publ_author_name
'Burrows, Andrew D.'
'Kelly, David J.'
'Mahon, Mary F.'
'Raithby, Paul R.'
'Richardson, Christopher'
'Stevenson, Anna J.'
_publ_section_title
;
 Silver coordination networks and cages based on a semi-rigid
 bis(isoxazolyl) ligand.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5483
_journal_page_last               5493
_journal_paper_doi               10.1039/c1dt10029g
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C45 H50 Ag F6 N5 O5 Sb'
_chemical_formula_weight         1084.52
_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                103.860(1)
_cell_angle_beta                 113.574(1)
_cell_angle_gamma                103.746(1)
_cell_formula_units_Z            2
_cell_length_a                   13.5300(3)
_cell_length_b                   14.3010(4)
_cell_length_c                   14.3670(3)
_cell_measurement_reflns_used    29587
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.910
_cell_volume                     2293.51(10)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV 1997-2004)'
_computing_data_reduction        'Denzo & Scalepack (Otwinowski, Minor 1997)'
_computing_molecular_graphics    'ORTEX (P.McArdle 1995)'
_computing_publication_material  'SHELXL-97/2 (Sheldrick 1997)'
_computing_structure_refinement  'SHELXL-97/2 (Sheldrick 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  '95mm CCD camera on κ-goniostat'
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0554
_diffrn_reflns_av_sigmaI/netI    0.0484
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            38829
_diffrn_reflns_theta_full        27.54
_diffrn_reflns_theta_max         27.54
_diffrn_reflns_theta_min         3.58
_exptl_absorpt_coefficient_mu    1.090
_exptl_absorpt_correction_T_max  0.725
_exptl_absorpt_correction_T_min  0.612
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements
Sortav (Blessing 1995)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1094
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.608
_refine_diff_density_min         -0.959
_refine_diff_density_rms         0.178
_refine_ls_extinction_coef       0.0045(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     634
_refine_ls_number_reflns         10477
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0567
_refine_ls_R_factor_gt           0.0342
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0329P)²+0.9476P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0702
_refine_ls_wR_factor_ref         0.0783
_reflns_number_gt                7989
_reflns_number_total             10477
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10029g.txt
_cod_data_source_block           Compound-8-h09adb04(CCDC-804684)
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        2293.51(9)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7015727
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb -0.840602(17) -0.624685(14) -0.092087(15) 0.03549(7) Uani 1 1 d . . .
Ag1 Ag 0.035808(18) 0.235358(15) 0.327157(16) 0.03263(7) Uani 1 1 d . . .
F1 F -0.8483(9) -0.7323(9) -0.0401(8) 0.071(2) Uani 0.70 1 d P A 1
F2 F -0.8329(10) -0.5215(6) -0.1464(8) 0.102(3) Uani 0.70 1 d P A 1
F3 F -0.8544(5) -0.7139(5) -0.2196(4) 0.0657(15) Uani 0.70 1 d P A 1
F4 F -0.6815(4) -0.5874(4) -0.0344(4) 0.0927(15) Uani 0.70 1 d P A 1
F5 F -0.8198(5) -0.5409(3) 0.0377(3) 0.0847(16) Uani 0.70 1 d P A 1
F6 F -0.9980(4) -0.6709(5) -0.1534(4) 0.0968(17) Uani 0.70 1 d P A 1
F1A F -0.886(2) -0.7358(18) -0.056(2) 0.104(9) Uani 0.30 1 d P A 2
F2A F -0.797(2) -0.5100(12) -0.1273(18) 0.099(8) Uani 0.30 1 d P A 2
F3A F -0.8018(19) -0.7017(13) -0.1745(17) 0.162(10) Uani 0.30 1 d P A 2
F4A F -0.7014(14) -0.5692(10) 0.0319(13) 0.180(9) Uani 0.30 1 d P A 2
F5A F -0.8939(12) -0.5404(9) -0.0143(11) 0.095(4) Uani 0.30 1 d P A 2
F6A F -0.9839(14) -0.6693(10) -0.2107(11) 0.184(9) Uani 0.30 1 d P A 2
O1 O 0.10610(17) 0.06322(14) 0.21806(17) 0.0434(5) Uani 1 1 d . . .
O2 O 0.90871(16) 0.52617(13) 0.59878(15) 0.0341(4) Uani 1 1 d . . .
O3 O -0.03868(15) 0.14819(13) 0.48607(13) 0.0292(4) Uani 1 1 d . . .
O4 O -0.77602(16) -0.16543(14) -0.12944(15) 0.0354(4) Uani 1 1 d . . .
O5 O 0.5844(2) 0.12663(17) 0.5128(2) 0.0585(6) Uani 1 1 d . . .
N1 N 0.1459(2) 0.17252(17) 0.25975(19) 0.0364(5) Uani 1 1 d . . .
N2 N 0.87900(19) 0.59847(16) 0.55281(18) 0.0317(5) Uani 1 1 d . . .
N3 N -0.05720(19) 0.11761(16) 0.37730(17) 0.0311(5) Uani 1 1 d . . .
N4 N -0.88990(19) -0.23354(17) -0.16717(18) 0.0340(5) Uani 1 1 d . . .
N5 N 0.6920(2) 0.2095(2) 0.5991(2) 0.0458(6) Uani 1 1 d . . .
C1 C 0.1137(3) -0.0794(3) 0.0958(4) 0.0697(11) Uani 1 1 d . . .
H1A H 0.1469 -0.0929 0.0470 0.104 Uiso 1 1 calc R . .
H1B H 0.0287 -0.1121 0.0533 0.104 Uiso 1 1 calc R . .
H1C H 0.1424 -0.1082 0.1521 0.104 Uiso 1 1 calc R . .
C2 C 0.1490(3) 0.0349(2) 0.1492(3) 0.0425(7) Uani 1 1 d . . .
C3 C 0.2144(2) 0.1189(2) 0.1451(2) 0.0333(6) Uani 1 1 d . . .
C4 C 0.2094(2) 0.2050(2) 0.2163(2) 0.0305(6) Uani 1 1 d . . .
C5 C 0.2642(2) 0.3174(2) 0.2422(2) 0.0384(6) Uani 1 1 d . . .
H5A H 0.2505 0.3577 0.2982 0.058 Uiso 1 1 calc R . .
H5B H 0.2302 0.3324 0.1758 0.058 Uiso 1 1 calc R . .
H5C H 0.3481 0.3366 0.2698 0.058 Uiso 1 1 calc R . .
C6 C 0.2748(2) 0.1238(2) 0.0772(2) 0.0417(7) Uani 1 1 d . . .
H6A H 0.2361 0.1515 0.0218 0.050 Uiso 1 1 calc R . .
H6B H 0.2640 0.0521 0.0373 0.050 Uiso 1 1 calc R . .
C7 C 0.4041(2) 0.1894(2) 0.1402(2) 0.0350(6) Uani 1 1 d . . .
C8 C 0.4819(2) 0.1682(2) 0.2223(2) 0.0381(6) Uani 1 1 d . . .
H8 H 0.4534 0.1133 0.2424 0.046 Uiso 1 1 calc R . .
C9 C 0.6001(2) 0.2252(2) 0.2755(2) 0.0388(6) Uani 1 1 d . . .
H9 H 0.6513 0.2086 0.3312 0.047 Uiso 1 1 calc R . .
C10 C 0.6455(2) 0.3066(2) 0.2488(2) 0.0365(6) Uani 1 1 d . . .
C11 C 0.5673(3) 0.3280(2) 0.1671(3) 0.0444(7) Uani 1 1 d . . .
H11 H 0.5955 0.3828 0.1468 0.053 Uiso 1 1 calc R . .
C12 C 0.4489(3) 0.2708(2) 0.1144(2) 0.0449(7) Uani 1 1 d . . .
H12 H 0.3974 0.2879 0.0594 0.054 Uiso 1 1 calc R . .
C13 C 0.7754(2) 0.3675(2) 0.3045(2) 0.0433(7) Uani 1 1 d . . .
H13A H 0.8160 0.3182 0.3097 0.052 Uiso 1 1 calc R . .
H13B H 0.7921 0.4033 0.2584 0.052 Uiso 1 1 calc R . .
C14 C 0.8239(2) 0.4469(2) 0.4177(2) 0.0319(6) Uani 1 1 d . . .
C15 C 0.8741(2) 0.43612(19) 0.5146(2) 0.0331(6) Uani 1 1 d . . .
C16 C 0.9000(3) 0.3502(2) 0.5470(3) 0.0512(8) Uani 1 1 d . . .
H16A H 0.9657 0.3789 0.6215 0.077 Uiso 1 1 calc R . .
H16B H 0.9199 0.3103 0.4962 0.077 Uiso 1 1 calc R . .
H16C H 0.8316 0.3046 0.5445 0.077 Uiso 1 1 calc R . .
C17 C 0.8293(2) 0.5510(2) 0.4466(2) 0.0297(5) Uani 1 1 d . . .
C18 C 0.7897(3) 0.6078(2) 0.3733(2) 0.0418(7) Uani 1 1 d . . .
H18A H 0.8040 0.6783 0.4175 0.063 Uiso 1 1 calc R . .
H18B H 0.7063 0.5711 0.3218 0.063 Uiso 1 1 calc R . .
H18C H 0.8328 0.6113 0.3325 0.063 Uiso 1 1 calc R . .
C19 C -0.1674(3) -0.0368(2) 0.2101(2) 0.0378(6) Uani 1 1 d . . .
H19A H -0.1223 0.0051 0.1853 0.057 Uiso 1 1 calc R . .
H19B H -0.2500 -0.0500 0.1666 0.057 Uiso 1 1 calc R . .
H19C H -0.1563 -0.1031 0.2007 0.057 Uiso 1 1 calc R . .
C20 C -0.1272(2) 0.02005(19) 0.3276(2) 0.0281(5) Uani 1 1 d . . .
C21 C -0.1571(2) -0.01799(19) 0.3999(2) 0.0261(5) Uani 1 1 d . . .
C22 C -0.1012(2) 0.06446(19) 0.4957(2) 0.0275(5) Uani 1 1 d . . .
C23 C -0.0959(3) 0.0833(2) 0.6039(2) 0.0374(6) Uani 1 1 d . . .
H23A H -0.1510 0.1157 0.6078 0.056 Uiso 1 1 calc R . .
H23B H -0.0170 0.1295 0.6619 0.056 Uiso 1 1 calc R . .
H23C H -0.1161 0.0171 0.6135 0.056 Uiso 1 1 calc R . .
C24 C -0.2291(2) -0.12776(19) 0.3742(2) 0.0305(6) Uani 1 1 d . . .
H24A H -0.2195 -0.1351 0.4438 0.037 Uiso 1 1 calc R . .
H24B H -0.1979 -0.1748 0.3425 0.037 Uiso 1 1 calc R . .
C25 C -0.3579(2) -0.16351(19) 0.2961(2) 0.0277(5) Uani 1 1 d . . .
C26 C -0.4150(2) -0.2585(2) 0.2081(2) 0.0329(6) Uani 1 1 d . . .
H26 H -0.3717 -0.2982 0.1942 0.039 Uiso 1 1 calc R . .
C27 C -0.5345(2) -0.2961(2) 0.1403(2) 0.0346(6) Uani 1 1 d . . .
H27 H -0.5718 -0.3614 0.0811 0.042 Uiso 1 1 calc R . .
C28 C -0.5999(2) -0.2401(2) 0.1576(2) 0.0313(6) Uani 1 1 d . . .
C29 C -0.5427(2) -0.1441(2) 0.2447(2) 0.0338(6) Uani 1 1 d . . .
H29 H -0.5863 -0.1044 0.2577 0.041 Uiso 1 1 calc R . .
C30 C -0.4232(2) -0.1058(2) 0.3128(2) 0.0317(6) Uani 1 1 d . . .
H30 H -0.3858 -0.0398 0.3710 0.038 Uiso 1 1 calc R . .
C31 C -0.7293(2) -0.2801(2) 0.0825(2) 0.0351(6) Uani 1 1 d . . .
H31A H -0.7596 -0.3570 0.0532 0.042 Uiso 1 1 calc R . .
H31B H -0.7664 -0.2576 0.1262 0.042 Uiso 1 1 calc R . .
C32 C -0.7650(2) -0.24463(19) -0.0124(2) 0.0282(5) Uani 1 1 d . . .
C33 C -0.8817(2) -0.28014(19) -0.0975(2) 0.0284(5) Uani 1 1 d . . .
C34 C -0.9858(2) -0.3592(2) -0.1124(2) 0.0389(6) Uani 1 1 d . . .
H34A H -1.0528 -0.3735 -0.1825 0.058 Uiso 1 1 calc R . .
H34B H -1.0017 -0.3332 -0.0525 0.058 Uiso 1 1 calc R . .
H34C H -0.9717 -0.4233 -0.1123 0.058 Uiso 1 1 calc R . .
C35 C -0.7030(2) -0.17503(19) -0.0368(2) 0.0302(6) Uani 1 1 d . . .
C36 C -0.5790(2) -0.1076(2) 0.0105(2) 0.0414(7) Uani 1 1 d . . .
H36A H -0.5641 -0.0382 0.0577 0.062 Uiso 1 1 calc R . .
H36B H -0.5623 -0.1026 -0.0489 0.062 Uiso 1 1 calc R . .
H36C H -0.5290 -0.1377 0.0538 0.062 Uiso 1 1 calc R . .
C37 C 0.3799(3) 0.0902(3) 0.4173(3) 0.0552(8) Uani 1 1 d . . .
H37A H 0.3664 0.0862 0.3439 0.083 Uiso 1 1 calc R . .
H37B H 0.3243 0.1148 0.4328 0.083 Uiso 1 1 calc R . .
H37C H 0.3696 0.0212 0.4209 0.083 Uiso 1 1 calc R . .
C38 C 0.5000(3) 0.1634(2) 0.4997(3) 0.0437(7) Uani 1 1 d . . .
C39 C 0.5435(3) 0.2645(2) 0.5700(2) 0.0396(7) Uani 1 1 d . . .
C40 C 0.6629(3) 0.2888(2) 0.6295(3) 0.0458(7) Uani 1 1 d . . .
C41 C 0.7555(3) 0.3871(3) 0.7175(3) 0.0613(9) Uani 1 1 d . . .
H41A H 0.8258 0.3742 0.7565 0.092 Uiso 1 1 calc R . .
H41B H 0.7293 0.4144 0.7689 0.092 Uiso 1 1 calc R . .
H41C H 0.7726 0.4379 0.6853 0.092 Uiso 1 1 calc R . .
C42 C 0.4779(3) 0.3324(2) 0.5834(3) 0.0478(8) Uani 1 1 d . . .
H42A H 0.5026 0.3636 0.6623 0.057 Uiso 1 1 calc R . .
H42B H 0.3942 0.2881 0.5454 0.057 Uiso 1 1 calc R . .
C43 C 0.4919(2) 0.4197(2) 0.5406(2) 0.0321(6) Uani 1 1 d . . .
C44 C 0.4474(2) 0.4946(2) 0.5637(2) 0.0335(6) Uani 1 1 d . . .
H44 H 0.4114 0.4919 0.6083 0.040 Uiso 1 1 calc R . .
C45 C 0.4542(2) 0.5733(2) 0.5235(2) 0.0341(6) Uani 1 1 d . . .
H45 H 0.4217 0.6230 0.5397 0.041 Uiso 1 1 calc R . .
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'
Sb Sb -0.5866 1.5461 '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'
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
F3A Sb1 F4A 97.1(11) . . ?
F3A Sb1 F6 109.7(8) . . ?
F4A Sb1 F6 147.6(8) . . ?
F3A Sb1 F6A 88.5(10) . . ?
F4A Sb1 F6A 174.1(8) . . ?
F6 Sb1 F6A 29.3(7) . . ?
F3A Sb1 F5 154.8(8) . . ?
F4A Sb1 F5 58.2(8) . . ?
F6 Sb1 F5 92.6(2) . . ?
F6A Sb1 F5 116.4(7) . . ?
F3A Sb1 F2 96.8(7) . . ?
F4A Sb1 F2 101.7(6) . . ?
F6 Sb1 F2 93.2(4) . . ?
F6A Sb1 F2 75.5(6) . . ?
F5 Sb1 F2 93.6(3) . . ?
F3A Sb1 F1A 87.6(12) . . ?
F4A Sb1 F1A 90.7(9) . . ?
F6 Sb1 F1A 73.0(9) . . ?
F6A Sb1 F1A 91.6(10) . . ?
F5 Sb1 F1A 87.7(10) . . ?
F2 Sb1 F1A 166.2(9) . . ?
F3A Sb1 F4 66.7(8) . . ?
F4A Sb1 F4 34.3(8) . . ?
F6 Sb1 F4 175.8(3) . . ?
F6A Sb1 F4 149.4(8) . . ?
F5 Sb1 F4 90.5(2) . . ?
F2 Sb1 F4 89.3(4) . . ?
F1A Sb1 F4 104.4(9) . . ?
F3A Sb1 F2A 94.2(9) . . ?
F4A Sb1 F2A 89.7(9) . . ?
F6 Sb1 F2A 105.8(9) . . ?
F6A Sb1 F2A 87.9(9) . . ?
F5 Sb1 F2A 90.9(6) . . ?
F2 Sb1 F2A 12.7(11) . . ?
F1A Sb1 F2A 178.1(13) . . ?
F4 Sb1 F2A 76.9(9) . . ?
F3A Sb1 F1 81.6(7) . . ?
F4A Sb1 F1 78.9(5) . . ?
F6 Sb1 F1 87.0(4) . . ?
F6A Sb1 F1 104.0(6) . . ?
F5 Sb1 F1 88.0(4) . . ?
F2 Sb1 F1 178.3(5) . . ?
F1A Sb1 F1 14.1(11) . . ?
F4 Sb1 F1 90.4(4) . . ?
F2A Sb1 F1 167.2(9) . . ?
F3A Sb1 F3 21.6(8) . . ?
F4A Sb1 F3 118.4(8) . . ?
F6 Sb1 F3 90.1(2) . . ?
F6A Sb1 F3 67.0(7) . . ?
F5 Sb1 F3 176.1(3) . . ?
F2 Sb1 F3 89.1(4) . . ?
F1A Sb1 F3 90.3(10) . . ?
F4 Sb1 F3 86.6(2) . . ?
F2A Sb1 F3 91.1(6) . . ?
F1 Sb1 F3 89.2(4) . . ?
F3A Sb1 F5A 174.6(8) . . ?
F4A Sb1 F5A 87.8(8) . . ?
F6 Sb1 F5A 66.5(5) . . ?
F6A Sb1 F5A 86.6(8) . . ?
F5 Sb1 F5A 30.5(4) . . ?
F2 Sb1 F5A 79.9(4) . . ?
F1A Sb1 F5A 94.7(11) . . ?
F4 Sb1 F5A 117.2(5) . . ?
F2A Sb1 F5A 83.5(7) . . ?
F1 Sb1 F5A 101.7(5) . . ?
F3 Sb1 F5A 153.3(5) . . ?
N2 Ag1 N3 115.41(7) 2_666 . ?
N2 Ag1 N1 116.69(8) 2_666 . ?
N3 Ag1 N1 110.87(8) . . ?
N2 Ag1 N4 105.78(8) 2_666 2_455 ?
N3 Ag1 N4 105.52(8) . 2_455 ?
N1 Ag1 N4 100.63(8) . 2_455 ?
C2 O1 N1 107.4(2) . . ?
C15 O2 N2 107.46(19) . . ?
C22 O3 N3 107.76(18) . . ?
C35 O4 N4 108.29(18) . . ?
C38 O5 N5 106.9(2) . . ?
C4 N1 O1 106.7(2) . . ?
C4 N1 Ag1 135.56(18) . . ?
O1 N1 Ag1 113.12(15) . . ?
C17 N2 O2 106.54(19) . . ?
C17 N2 Ag1 136.49(17) . 2_666 ?
O2 N2 Ag1 114.74(14) . 2_666 ?
C20 N3 O3 106.39(19) . . ?
C20 N3 Ag1 134.51(17) . . ?
O3 N3 Ag1 119.07(14) . . ?
C33 N4 O4 105.9(2) . . ?
C33 N4 Ag1 137.83(18) . 2_455 ?
O4 N4 Ag1 116.29(14) . 2_455 ?
C40 N5 O5 105.5(2) . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 O1 110.7(2) . . ?
C3 C2 C1 134.5(3) . . ?
O1 C2 C1 114.8(3) . . ?
C2 C3 C4 104.4(2) . . ?
C2 C3 C6 128.7(3) . . ?
C4 C3 C6 126.8(2) . . ?
N1 C4 C3 110.8(2) . . ?
N1 C4 C5 120.8(2) . . ?
C3 C4 C5 128.4(2) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C3 C6 C7 115.7(2) . . ?
C3 C6 H6A 108.4 . . ?
C7 C6 H6A 108.4 . . ?
C3 C6 H6B 108.4 . . ?
C7 C6 H6B 108.4 . . ?
H6A C6 H6B 107.4 . . ?
C12 C7 C8 117.5(3) . . ?
C12 C7 C6 120.6(3) . . ?
C8 C7 C6 121.8(3) . . ?
C9 C8 C7 121.4(3) . . ?
C9 C8 H8 119.3 . . ?
C7 C8 H8 119.3 . . ?
C8 C9 C10 121.2(3) . . ?
C8 C9 H9 119.4 . . ?
C10 C9 H9 119.4 . . ?
C11 C10 C9 117.3(3) . . ?
C11 C10 C13 121.3(3) . . ?
C9 C10 C13 121.4(3) . . ?
C12 C11 C10 121.3(3) . . ?
C12 C11 H11 119.3 . . ?
C10 C11 H11 119.3 . . ?
C7 C12 C11 121.3(3) . . ?
C7 C12 H12 119.3 . . ?
C11 C12 H12 119.3 . . ?
C14 C13 C10 113.8(2) . . ?
C14 C13 H13A 108.8 . . ?
C10 C13 H13A 108.8 . . ?
C14 C13 H13B 108.8 . . ?
C10 C13 H13B 108.8 . . ?
H13A C13 H13B 107.7 . . ?
C15 C14 C17 104.3(2) . . ?
C15 C14 C13 127.9(3) . . ?
C17 C14 C13 127.8(3) . . ?
C14 C15 O2 110.3(2) . . ?
C14 C15 C16 134.1(3) . . ?
O2 C15 C16 115.6(3) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N2 C17 C14 111.3(2) . . ?
N2 C17 C18 120.0(2) . . ?
C14 C17 C18 128.6(2) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 H19A 109.5 . . ?
C20 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C20 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N3 C20 C21 111.2(2) . . ?
N3 C20 C19 120.8(2) . . ?
C21 C20 C19 128.0(2) . . ?
C22 C21 C20 104.7(2) . . ?
C22 C21 C24 128.7(2) . . ?
C20 C21 C24 126.5(2) . . ?
C21 C22 O3 109.9(2) . . ?
C21 C22 C23 134.7(2) . . ?
O3 C22 C23 115.4(2) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 C25 115.6(2) . . ?
C21 C24 H24A 108.4 . . ?
C25 C24 H24A 108.4 . . ?
C21 C24 H24B 108.4 . . ?
C25 C24 H24B 108.4 . . ?
H24A C24 H24B 107.4 . . ?
C26 C25 C30 118.3(2) . . ?
C26 C25 C24 120.0(2) . . ?
C30 C25 C24 121.6(2) . . ?
C27 C26 C25 120.9(2) . . ?
C27 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
C28 C27 C26 121.0(2) . . ?
C28 C27 H27 119.5 . . ?
C26 C27 H27 119.5 . . ?
C27 C28 C29 118.3(2) . . ?
C27 C28 C31 120.9(2) . . ?
C29 C28 C31 120.8(2) . . ?
C30 C29 C28 121.1(2) . . ?
C30 C29 H29 119.4 . . ?
C28 C29 H29 119.4 . . ?
C29 C30 C25 120.3(2) . . ?
C29 C30 H30 119.8 . . ?
C25 C30 H30 119.8 . . ?
C32 C31 C28 114.8(2) . . ?
C32 C31 H31A 108.6 . . ?
C28 C31 H31A 108.6 . . ?
C32 C31 H31B 108.6 . . ?
C28 C31 H31B 108.6 . . ?
H31A C31 H31B 107.6 . . ?
C35 C32 C33 104.8(2) . . ?
C35 C32 C31 131.5(2) . . ?
C33 C32 C31 123.7(2) . . ?
N4 C33 C32 111.5(2) . . ?
N4 C33 C34 121.0(2) . . ?
C32 C33 C34 127.6(2) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C32 C35 O4 109.6(2) . . ?
C32 C35 C36 136.9(2) . . ?
O4 C35 C36 113.5(2) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 H37A 109.5 . . ?
C38 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C38 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
O5 C38 C39 111.2(3) . . ?
O5 C38 C37 116.6(3) . . ?
C39 C38 C37 132.1(3) . . ?
C38 C39 C40 104.5(3) . . ?
C38 C39 C42 127.9(3) . . ?
C40 C39 C42 127.5(3) . . ?
N5 C40 C39 111.9(3) . . ?
N5 C40 C41 118.7(3) . . ?
C39 C40 C41 129.4(3) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C39 C42 C43 116.1(2) . . ?
C39 C42 H42A 108.3 . . ?
C43 C42 H42A 108.3 . . ?
C39 C42 H42B 108.3 . . ?
C43 C42 H42B 108.3 . . ?
H42A C42 H42B 107.4 . . ?
C44 C43 C45 117.9(2) . 2_666 ?
C44 C43 C42 119.4(2) . . ?
C45 C43 C42 122.7(2) 2_666 . ?
C45 C44 C43 121.6(2) . . ?
C45 C44 H44 119.2 . . ?
C43 C44 H44 119.2 . . ?
C44 C45 C43 120.5(2) . 2_666 ?
C44 C45 H45 119.8 . . ?
C43 C45 H45 119.8 2_666 . ?
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
Sb1 F3A 1.744(13) . ?
Sb1 F4A 1.811(11) . ?
Sb1 F6 1.817(4) . ?
Sb1 F6A 1.822(11) . ?
Sb1 F5 1.827(3) . ?
Sb1 F2 1.828(7) . ?
Sb1 F1A 1.83(2) . ?
Sb1 F4 1.850(4) . ?
Sb1 F2A 1.861(18) . ?
Sb1 F1 1.864(9) . ?
Sb1 F3 1.875(5) . ?
Sb1 F5A 1.906(9) . ?
Ag1 N2 2.257(2) 2_666 ?
Ag1 N3 2.289(2) . ?
Ag1 N1 2.310(2) . ?
Ag1 N4 2.345(2) 2_455 ?
O1 C2 1.363(3) . ?
O1 N1 1.409(3) . ?
O2 C15 1.362(3) . ?
O2 N2 1.407(3) . ?
O3 C22 1.364(3) . ?
O3 N3 1.415(3) . ?
O4 C35 1.366(3) . ?
O4 N4 1.408(3) . ?
O5 C38 1.333(4) . ?
O5 N5 1.447(3) . ?
N1 C4 1.312(3) . ?
N2 C17 1.307(3) . ?
N2 Ag1 2.257(2) 2_666 ?
N3 C20 1.307(3) . ?
N4 C33 1.313(3) . ?
N4 Ag1 2.345(2) 2_455 ?
N5 C40 1.321(4) . ?
C1 C2 1.491(4) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.342(4) . ?
C3 C4 1.434(4) . ?
C3 C6 1.506(4) . ?
C4 C5 1.484(4) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.519(4) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C12 1.382(4) . ?
C7 C8 1.386(4) . ?
C8 C9 1.382(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.394(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.386(4) . ?
C10 C13 1.517(4) . ?
C11 C12 1.386(4) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.508(4) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.348(4) . ?
C14 C17 1.421(4) . ?
C15 C16 1.482(4) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.490(4) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.485(3) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.428(3) . ?
C21 C22 1.351(3) . ?
C21 C24 1.502(3) . ?
C22 C23 1.481(3) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.515(3) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.392(4) . ?
C25 C30 1.393(4) . ?
C26 C27 1.388(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.379(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.395(4) . ?
C28 C31 1.508(4) . ?
C29 C30 1.389(4) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.508(3) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C35 1.349(3) . ?
C32 C33 1.423(4) . ?
C33 C34 1.481(4) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.487(4) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.482(5) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C39 1.370(4) . ?
C39 C40 1.395(4) . ?
C39 C42 1.492(4) . ?
C40 C41 1.479(5) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C43 1.524(4) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.384(4) . ?
C43 C45 1.392(3) 2_666 ?
C44 C45 1.384(4) . ?
C44 H44 0.9500 . ?
C45 C43 1.392(3) 2_666 ?
C45 H45 0.9500 . ?
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
C2 O1 N1 C4 -0.2(3) . . . . ?
C2 O1 N1 Ag1 159.63(18) . . . . ?
N2 Ag1 N1 C4 -49.1(3) 2_666 . . . ?
N3 Ag1 N1 C4 176.0(2) . . . . ?
N4 Ag1 N1 C4 64.7(3) 2_455 . . . ?
N2 Ag1 N1 O1 159.06(15) 2_666 . . . ?
N3 Ag1 N1 O1 24.18(19) . . . . ?
N4 Ag1 N1 O1 -87.11(17) 2_455 . . . ?
C15 O2 N2 C17 0.1(3) . . . . ?
C15 O2 N2 Ag1 -165.82(15) . . . 2_666 ?
C22 O3 N3 C20 -0.3(2) . . . . ?
C22 O3 N3 Ag1 -178.78(15) . . . . ?
N2 Ag1 N3 C20 169.8(2) 2_666 . . . ?
N1 Ag1 N3 C20 -54.7(3) . . . . ?
N4 Ag1 N3 C20 53.4(3) 2_455 . . . ?
N2 Ag1 N3 O3 -12.25(19) 2_666 . . . ?
N1 Ag1 N3 O3 123.26(16) . . . . ?
N4 Ag1 N3 O3 -128.63(16) 2_455 . . . ?
C35 O4 N4 C33 0.2(3) . . . . ?
C35 O4 N4 Ag1 -179.65(15) . . . 2_455 ?
C38 O5 N5 C40 -0.5(3) . . . . ?
N1 O1 C2 C3 0.7(3) . . . . ?
N1 O1 C2 C1 -179.1(3) . . . . ?
O1 C2 C3 C4 -0.8(3) . . . . ?
C1 C2 C3 C4 178.9(4) . . . . ?
O1 C2 C3 C6 -177.7(3) . . . . ?
C1 C2 C3 C6 2.0(6) . . . . ?
O1 N1 C4 C3 -0.3(3) . . . . ?
Ag1 N1 C4 C3 -153.4(2) . . . . ?
O1 N1 C4 C5 179.4(2) . . . . ?
Ag1 N1 C4 C5 26.3(4) . . . . ?
C2 C3 C4 N1 0.7(3) . . . . ?
C6 C3 C4 N1 177.6(2) . . . . ?
C2 C3 C4 C5 -178.9(3) . . . . ?
C6 C3 C4 C5 -2.0(4) . . . . ?
C2 C3 C6 C7 -126.2(3) . . . . ?
C4 C3 C6 C7 57.5(4) . . . . ?
C3 C6 C7 C12 -122.9(3) . . . . ?
C3 C6 C7 C8 59.4(4) . . . . ?
C12 C7 C8 C9 -0.9(4) . . . . ?
C6 C7 C8 C9 176.8(2) . . . . ?
C7 C8 C9 C10 0.2(4) . . . . ?
C8 C9 C10 C11 0.1(4) . . . . ?
C8 C9 C10 C13 -178.2(2) . . . . ?
C9 C10 C11 C12 0.2(4) . . . . ?
C13 C10 C11 C12 178.5(3) . . . . ?
C8 C7 C12 C11 1.2(4) . . . . ?
C6 C7 C12 C11 -176.6(3) . . . . ?
C10 C11 C12 C7 -0.9(4) . . . . ?
C11 C10 C13 C14 103.6(3) . . . . ?
C9 C10 C13 C14 -78.2(3) . . . . ?
C10 C13 C14 C15 95.2(3) . . . . ?
C10 C13 C14 C17 -86.2(3) . . . . ?
C17 C14 C15 O2 0.0(3) . . . . ?
C13 C14 C15 O2 178.8(2) . . . . ?
C17 C14 C15 C16 -178.7(3) . . . . ?
C13 C14 C15 C16 0.1(5) . . . . ?
N2 O2 C15 C14 -0.1(3) . . . . ?
N2 O2 C15 C16 178.9(2) . . . . ?
O2 N2 C17 C14 -0.1(3) . . . . ?
Ag1 N2 C17 C14 161.18(19) 2_666 . . . ?
O2 N2 C17 C18 -178.5(2) . . . . ?
Ag1 N2 C17 C18 -17.2(4) 2_666 . . . ?
C15 C14 C17 N2 0.0(3) . . . . ?
C13 C14 C17 N2 -178.8(2) . . . . ?
C15 C14 C17 C18 178.3(3) . . . . ?
C13 C14 C17 C18 -0.6(4) . . . . ?
O3 N3 C20 C21 -0.4(3) . . . . ?
Ag1 N3 C20 C21 177.75(17) . . . . ?
O3 N3 C20 C19 178.6(2) . . . . ?
Ag1 N3 C20 C19 -3.2(4) . . . . ?
N3 C20 C21 C22 0.9(3) . . . . ?
C19 C20 C21 C22 -178.0(3) . . . . ?
N3 C20 C21 C24 -175.7(2) . . . . ?
C19 C20 C21 C24 5.3(4) . . . . ?
C20 C21 C22 O3 -1.1(3) . . . . ?
C24 C21 C22 O3 175.5(2) . . . . ?
C20 C21 C22 C23 177.2(3) . . . . ?
C24 C21 C22 C23 -6.2(5) . . . . ?
N3 O3 C22 C21 0.9(3) . . . . ?
N3 O3 C22 C23 -177.8(2) . . . . ?
C22 C21 C24 C25 112.3(3) . . . . ?
C20 C21 C24 C25 -71.8(3) . . . . ?
C21 C24 C25 C26 132.1(2) . . . . ?
C21 C24 C25 C30 -51.1(3) . . . . ?
C30 C25 C26 C27 -1.6(4) . . . . ?
C24 C25 C26 C27 175.3(2) . . . . ?
C25 C26 C27 C28 0.5(4) . . . . ?
C26 C27 C28 C29 0.4(4) . . . . ?
C26 C27 C28 C31 178.8(2) . . . . ?
C27 C28 C29 C30 -0.2(4) . . . . ?
C31 C28 C29 C30 -178.6(2) . . . . ?
C28 C29 C30 C25 -0.9(4) . . . . ?
C26 C25 C30 C29 1.8(4) . . . . ?
C24 C25 C30 C29 -175.1(2) . . . . ?
C27 C28 C31 C32 -91.5(3) . . . . ?
C29 C28 C31 C32 86.8(3) . . . . ?
C28 C31 C32 C35 -7.7(4) . . . . ?
C28 C31 C32 C33 174.7(2) . . . . ?
O4 N4 C33 C32 0.6(3) . . . . ?
Ag1 N4 C33 C32 -179.55(18) 2_455 . . . ?
O4 N4 C33 C34 -179.2(2) . . . . ?
Ag1 N4 C33 C34 0.7(4) 2_455 . . . ?
C35 C32 C33 N4 -1.2(3) . . . . ?
C31 C32 C33 N4 177.0(2) . . . . ?
C35 C32 C33 C34 178.5(2) . . . . ?
C31 C32 C33 C34 -3.3(4) . . . . ?
C33 C32 C35 O4 1.3(3) . . . . ?
C31 C32 C35 O4 -176.7(3) . . . . ?
C33 C32 C35 C36 -179.0(3) . . . . ?
C31 C32 C35 C36 3.0(5) . . . . ?
N4 O4 C35 C32 -1.0(3) . . . . ?
N4 O4 C35 C36 179.2(2) . . . . ?
N5 O5 C38 C39 0.5(3) . . . . ?
N5 O5 C38 C37 -177.8(2) . . . . ?
O5 C38 C39 C40 -0.3(3) . . . . ?
C37 C38 C39 C40 177.7(3) . . . . ?
O5 C38 C39 C42 -178.2(2) . . . . ?
C37 C38 C39 C42 -0.3(5) . . . . ?
O5 N5 C40 C39 0.4(3) . . . . ?
O5 N5 C40 C41 -179.6(2) . . . . ?
C38 C39 C40 N5 -0.1(3) . . . . ?
C42 C39 C40 N5 177.9(3) . . . . ?
C38 C39 C40 C41 179.9(3) . . . . ?
C42 C39 C40 C41 -2.1(5) . . . . ?
C38 C39 C42 C43 -108.5(3) . . . . ?
C40 C39 C42 C43 74.0(4) . . . . ?
C39 C42 C43 C44 -170.9(3) . . . . ?
C39 C42 C43 C45 10.5(4) . . . 2_666 ?
C45 C43 C44 C45 1.0(5) 2_666 . . . ?
C42 C43 C44 C45 -177.6(3) . . . . ?
C43 C44 C45 C43 -1.0(5) . . . 2_666 ?
