#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:44:41 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179861 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/57/7015726.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_7015726
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 P'
_chemical_formula_weight         993.74
_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                103.616(1)
_cell_angle_beta                 113.747(1)
_cell_angle_gamma                103.917(1)
_cell_formula_units_Z            2
_cell_length_a                   13.5620(1)
_cell_length_b                   14.2000(1)
_cell_length_c                   14.2460(2)
_cell_measurement_reflns_used    58879
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.910
_cell_volume                     2260.62(5)
_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 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  '95mm CCD camera on κ-goniostat'
_diffrn_measurement_method       CCD
_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  0.0734
_diffrn_reflns_av_sigmaI/netI    0.0705
_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            38548
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.67
_exptl_absorpt_coefficient_mu    0.556
_exptl_absorpt_correction_T_max  0.93
_exptl_absorpt_correction_T_min  0.84
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements
Sortav (Blessing 1995)
;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.460
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1022
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.554
_refine_diff_density_min         -0.736
_refine_diff_density_rms         0.152
_refine_ls_extinction_coef       0.0047(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     633
_refine_ls_number_reflns         10256
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0770
_refine_ls_R_factor_gt           0.0413
_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)+(0.0469P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0833
_refine_ls_wR_factor_ref         0.0944
_reflns_number_gt                7231
_reflns_number_total             10256
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10029g.txt
_cod_data_source_block           Compound-7-h08adb08
_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.

'_exptl_absorpt_correction_type' value 'Multi-Scan' changed
to 'multi-scan' 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        2260.62(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7015726
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
Ag1 Ag 0.962142(17) 0.264587(14) 0.172180(15) 0.03621(9) Uani 1 1 d . . .
P1 P 1.15510(6) 0.87060(5) 0.40355(6) 0.04133(18) Uani 1 1 d . . .
F1 F 1.0211(4) 0.8310(6) 0.3514(5) 0.107(2) Uani 0.60 1 d P A 1
F2 F 1.1194(10) 0.7740(8) 0.4327(9) 0.110(4) Uani 0.60 1 d P A 1
F3 F 1.1425(6) 0.7952(5) 0.2938(4) 0.071(2) Uani 0.60 1 d P A 1
F4 F 1.1660(10) 0.9627(7) 0.3600(10) 0.107(4) Uani 0.60 1 d P A 1
F5 F 1.1718(6) 0.9413(4) 0.5136(4) 0.0793(17) Uani 0.60 1 d P A 1
F6 F 1.2909(4) 0.9039(5) 0.4547(5) 0.0966(15) Uani 0.60 1 d P A 1
F1A F 1.0403(9) 0.8360(7) 0.2957(8) 0.145(4) Uani 0.40 1 d P A 2
F2A F 1.1521(15) 0.7815(14) 0.4512(13) 0.096(5) Uani 0.40 1 d P A 2
F3A F 1.1971(14) 0.8059(10) 0.3405(12) 0.152(7) Uani 0.40 1 d P A 2
F4A F 1.2027(15) 0.9671(8) 0.3802(13) 0.110(6) Uani 0.40 1 d P A 2
F5A F 1.1041(10) 0.9409(7) 0.4659(9) 0.102(3) Uani 0.40 1 d P A 2
F6A F 1.2681(10) 0.9152(9) 0.5193(9) 0.168(5) Uani 0.40 1 d P A 2
O1 O 1.03805(14) 0.35175(11) 0.01259(13) 0.0318(4) Uani 1 1 d . . .
O2 O 1.77952(15) 0.66415(12) 0.62791(14) 0.0385(4) Uani 1 1 d . . .
O3 O 0.90824(15) 0.02499(12) 0.09732(14) 0.0369(4) Uani 1 1 d . . .
O4 O 0.10894(16) -0.43661(13) -0.28218(16) 0.0475(5) Uani 1 1 d . . .
O5 O 0.4128(2) 0.37437(17) -0.0124(2) 0.0695(6) Uani 1 1 d . . .
N1 N 1.05489(17) 0.38270(15) 0.12148(16) 0.0329(5) Uani 1 1 d . . .
N2 N 1.89280(17) 0.73435(15) 0.66568(16) 0.0352(5) Uani 1 1 d . . .
N3 N 0.87844(18) 0.09794(14) 0.05089(17) 0.0346(5) Uani 1 1 d . . .
N4 N 0.14731(18) -0.32624(15) -0.23992(17) 0.0387(5) Uani 1 1 d . . .
N5 N 0.3048(2) 0.29127(19) -0.1001(2) 0.0543(7) Uani 1 1 d . . .
C1 C 1.1633(2) 0.53900(19) 0.2898(2) 0.0408(6) Uani 1 1 d . . .
H1A H 1.1161 0.4977 0.3138 0.061 Uiso 1 1 calc R . .
H1 H 1.1541 0.6064 0.2984 0.061 Uiso 1 1 calc R . .
H1C H 1.2453 0.5510 0.3350 0.061 Uiso 1 1 calc R . .
C2 C 1.1246(2) 0.48130(17) 0.17183(19) 0.0303(5) Uani 1 1 d . . .
C3 C 1.1552(2) 0.51935(18) 0.09885(19) 0.0296(5) Uani 1 1 d . . .
C4 C 1.1007(2) 0.43629(18) 0.00315(19) 0.0299(5) Uani 1 1 d . . .
C5 C 1.0972(2) 0.4174(2) -0.1054(2) 0.0401(6) Uani 1 1 d . . .
H5A H 1.1156 0.4838 -0.1161 0.060 Uiso 1 1 calc R . .
H5B H 1.0192 0.3690 -0.1646 0.060 Uiso 1 1 calc R . .
H5C H 1.1543 0.3869 -0.1071 0.060 Uiso 1 1 calc R . .
C6 C 1.2264(2) 0.63081(18) 0.1256(2) 0.0347(6) Uani 1 1 d . . .
H6A H 1.1943 0.6772 0.1569 0.042 Uiso 1 1 calc R . .
H6B H 1.2174 0.6389 0.0558 0.042 Uiso 1 1 calc R . .
C7 C 1.3556(2) 0.66771(18) 0.20598(19) 0.0311(5) Uani 1 1 d . . .
C8 C 1.4221(2) 0.61157(19) 0.1892(2) 0.0348(6) Uani 1 1 d . . .
H8 H 1.3854 0.5456 0.1300 0.042 Uiso 1 1 calc R . .
C9 C 1.5409(2) 0.6509(2) 0.2576(2) 0.0381(6) Uani 1 1 d . . .
H9 H 1.5850 0.6118 0.2445 0.046 Uiso 1 1 calc R . .
C10 C 1.5974(2) 0.74723(19) 0.3460(2) 0.0352(6) Uani 1 1 d . . .
C11 C 1.5310(2) 0.80205(19) 0.3634(2) 0.0379(6) Uani 1 1 d . . .
H11 H 1.5676 0.8675 0.4233 0.046 Uiso 1 1 calc R . .
C12 C 1.4115(2) 0.76292(19) 0.2947(2) 0.0353(6) Uani 1 1 d . . .
H12 H 1.3673 0.8017 0.3085 0.042 Uiso 1 1 calc R . .
C13 C 1.7273(2) 0.7892(2) 0.4218(2) 0.0405(6) Uani 1 1 d . . .
H13A H 1.7647 0.7707 0.3771 0.049 Uiso 1 1 calc R . .
H13B H 1.7559 0.8664 0.4542 0.049 Uiso 1 1 calc R . .
C14 C 1.7650(2) 0.74975(18) 0.51409(19) 0.0313(5) Uani 1 1 d . . .
C15 C 1.7048(2) 0.67607(18) 0.5372(2) 0.0330(5) Uani 1 1 d . . .
C16 C 1.5814(2) 0.6078(2) 0.4904(2) 0.0449(7) Uani 1 1 d . . .
H16A H 1.5307 0.6403 0.4514 0.067 Uiso 1 1 calc R . .
H16B H 1.5670 0.5984 0.5504 0.067 Uiso 1 1 calc R . .
H16C H 1.5649 0.5395 0.4386 0.067 Uiso 1 1 calc R . .
C17 C 1.8822(2) 0.78450(18) 0.59844(19) 0.0304(5) Uani 1 1 d . . .
C18 C 1.9845(2) 0.8660(2) 0.6129(2) 0.0428(6) Uani 1 1 d . . .
H18A H 2.0536 0.8771 0.6803 0.064 Uiso 1 1 calc R . .
H18B H 1.9712 0.9315 0.6188 0.064 Uiso 1 1 calc R . .
H18C H 1.9962 0.8434 0.5490 0.064 Uiso 1 1 calc R . .
C19 C 0.7885(3) 0.1077(2) -0.1300(2) 0.0460(7) Uani 1 1 d . . .
H19A H 0.8068 0.1799 -0.0852 0.069 Uiso 1 1 calc R . .
H19B H 0.7042 0.0728 -0.1788 0.069 Uiso 1 1 calc R . .
H19C H 0.8276 0.1082 -0.1747 0.069 Uiso 1 1 calc R . .
C20 C 0.8290(2) 0.05073(18) -0.0563(2) 0.0315(5) Uani 1 1 d . . .
C21 C 0.8230(2) -0.05418(18) -0.0857(2) 0.0347(6) Uani 1 1 d . . .
C22 C 0.8731(2) -0.06527(18) 0.0119(2) 0.0368(6) Uani 1 1 d . . .
C23 C 0.8994(3) -0.1516(2) 0.0444(3) 0.0566(8) Uani 1 1 d . . .
H23A H 0.9657 -0.1226 0.1193 0.085 Uiso 1 1 calc R . .
H23B H 0.9183 -0.1919 -0.0073 0.085 Uiso 1 1 calc R . .
H23C H 0.8314 -0.1975 0.0427 0.085 Uiso 1 1 calc R . .
C24 C 0.7738(2) -0.1334(2) -0.2002(2) 0.0490(7) Uani 1 1 d . . .
H24A H 0.8131 -0.1838 -0.1955 0.059 Uiso 1 1 calc R . .
H24B H 0.7912 -0.0969 -0.2463 0.059 Uiso 1 1 calc R . .
C25 C 0.6431(2) -0.1934(2) -0.2567(2) 0.0416(6) Uani 1 1 d . . .
C26 C 0.5972(2) -0.2746(2) -0.2294(2) 0.0436(6) Uani 1 1 d . . .
H26 H 0.6480 -0.2919 -0.1734 0.052 Uiso 1 1 calc R . .
C27 C 0.4787(2) -0.3306(2) -0.2827(2) 0.0428(6) Uani 1 1 d . . .
H27 H 0.4495 -0.3860 -0.2627 0.051 Uiso 1 1 calc R . .
C28 C 0.4014(2) -0.3074(2) -0.3650(2) 0.0412(6) Uani 1 1 d . . .
C29 C 0.4473(3) -0.2256(2) -0.3905(2) 0.0491(7) Uani 1 1 d . . .
H29 H 0.3967 -0.2068 -0.4451 0.059 Uiso 1 1 calc R . .
C30 C 0.5663(3) -0.1702(2) -0.3376(2) 0.0481(7) Uani 1 1 d . . .
H30 H 0.5957 -0.1149 -0.3576 0.058 Uiso 1 1 calc R . .
C31 C 0.2717(2) -0.3716(2) -0.4278(2) 0.0460(7) Uani 1 1 d . . .
H31A H 0.2333 -0.3415 -0.4815 0.055 Uiso 1 1 calc R . .
H31B H 0.2587 -0.4436 -0.4706 0.055 Uiso 1 1 calc R . .
C32 C 0.2133(2) -0.3781(2) -0.3579(2) 0.0374(6) Uani 1 1 d . . .
C33 C 0.2081(2) -0.29348(19) -0.2856(2) 0.0344(6) Uani 1 1 d . . .
C34 C 0.2600(2) -0.1801(2) -0.2614(2) 0.0446(7) Uani 1 1 d . . .
H34A H 0.2441 -0.1402 -0.2068 0.067 Uiso 1 1 calc R . .
H34B H 0.2259 -0.1667 -0.3296 0.067 Uiso 1 1 calc R . .
H34C H 0.3442 -0.1586 -0.2320 0.067 Uiso 1 1 calc R . .
C35 C 0.1501(2) -0.4641(2) -0.3531(2) 0.0465(7) Uani 1 1 d . . .
C36 C 0.1167(3) -0.5788(2) -0.4069(3) 0.0713(10) Uani 1 1 d . . .
H36A H 0.1471 -0.5913 -0.4586 0.107 Uiso 1 1 calc R . .
H36B H 0.0318 -0.6134 -0.4472 0.107 Uiso 1 1 calc R . .
H36C H 0.1494 -0.6072 -0.3503 0.107 Uiso 1 1 calc R . .
C37 C 0.2388(3) 0.1125(3) -0.2208(3) 0.0763(10) Uani 1 1 d . . .
H37A H 0.2214 0.0614 -0.1884 0.114 Uiso 1 1 calc R . .
H37B H 0.2635 0.0845 -0.2735 0.114 Uiso 1 1 calc R . .
H37C H 0.1691 0.1267 -0.2593 0.114 Uiso 1 1 calc R . .
C38 C 0.3339(3) 0.2115(2) -0.1315(3) 0.0567(8) Uani 1 1 d . . .
C39 C 0.4531(3) 0.2356(2) -0.0714(3) 0.0516(8) Uani 1 1 d . . .
C40 C 0.4970(3) 0.3369(2) 0.0007(3) 0.0530(8) Uani 1 1 d . . .
C41 C 0.6166(3) 0.4098(3) 0.0841(3) 0.0674(9) Uani 1 1 d . . .
H41A H 0.6197 0.4387 0.1553 0.101 Uiso 1 1 calc R . .
H41B H 0.6400 0.4668 0.0605 0.101 Uiso 1 1 calc R . .
H41C H 0.6696 0.3723 0.0919 0.101 Uiso 1 1 calc R . .
C42 C 0.5182(3) 0.1676(2) -0.0854(3) 0.0638(9) Uani 1 1 d . . .
H42A H 0.6018 0.2125 -0.0479 0.077 Uiso 1 1 calc R . .
H42B H 0.4924 0.1361 -0.1653 0.077 Uiso 1 1 calc R . .
C43 C 0.5058(2) 0.08021(19) -0.0420(2) 0.0378(6) Uani 1 1 d . . .
C44 C 0.4530(2) 0.0727(2) 0.0229(2) 0.0412(6) Uani 1 1 d . . .
H44 H 0.4202 0.1222 0.0393 0.049 Uiso 1 1 calc R . .
C45 C 0.5522(2) 0.0060(2) -0.0640(2) 0.0407(6) Uani 1 1 d . . .
H45 H 0.5885 0.0096 -0.1085 0.049 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'
O O 0.0106 0.0060 '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'
P P 0.1023 0.0942 '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
_geom_angle_publ_flag
N3 Ag1 N1 114.72(7) . . ?
N3 Ag1 N4 117.09(7) . 2_655 ?
N1 Ag1 N4 111.42(7) . 2_655 ?
N3 Ag1 N2 105.55(7) . 2_866 ?
N1 Ag1 N2 105.97(7) . 2_866 ?
N4 Ag1 N2 100.14(7) 2_655 2_866 ?
F3A P1 F4A 92.7(8) . . ?
F3A P1 F1A 89.5(7) . . ?
F4A P1 F1A 88.3(7) . . ?
F3A P1 F5 150.6(7) . . ?
F4A P1 F5 90.8(6) . . ?
F1A P1 F5 119.8(6) . . ?
F3A P1 F1 113.9(6) . . ?
F4A P1 F1 111.4(7) . . ?
F1A P1 F1 35.5(4) . . ?
F5 P1 F1 91.8(3) . . ?
F3A P1 F2 84.6(7) . . ?
F4A P1 F2 174.5(8) . . ?
F1A P1 F2 96.5(6) . . ?
F5 P1 F2 89.2(5) . . ?
F1 P1 F2 74.2(5) . . ?
F3A P1 F2A 80.2(9) . . ?
F4A P1 F2A 160.4(9) . . ?
F1A P1 F2A 109.7(7) . . ?
F5 P1 F2A 86.8(7) . . ?
F1 P1 F2A 88.2(7) . . ?
F2 P1 F2A 14.2(9) . . ?
F3A P1 F6A 96.6(9) . . ?
F4A P1 F6A 90.0(7) . . ?
F1A P1 F6A 173.7(8) . . ?
F5 P1 F6A 54.1(6) . . ?
F1 P1 F6A 140.8(7) . . ?
F2 P1 F6A 85.5(6) . . ?
F2A P1 F6A 72.9(7) . . ?
F3A P1 F4 99.0(7) . . ?
F4A P1 F4 16.3(10) . . ?
F1A P1 F4 73.5(6) . . ?
F5 P1 F4 92.5(5) . . ?
F1 P1 F4 95.1(5) . . ?
F2 P1 F4 169.2(6) . . ?
F2A P1 F4 176.6(8) . . ?
F6A P1 F4 104.1(6) . . ?
F3A P1 F6 63.4(6) . . ?
F4A P1 F6 71.4(7) . . ?
F1A P1 F6 144.3(6) . . ?
F5 P1 F6 90.3(3) . . ?
F1 P1 F6 176.5(4) . . ?
F2 P1 F6 103.1(5) . . ?
F2A P1 F6 89.1(7) . . ?
F6A P1 F6 39.9(6) . . ?
F4 P1 F6 87.6(5) . . ?
F3A P1 F3 26.6(7) . . ?
F4A P1 F3 90.7(6) . . ?
F1A P1 F3 62.9(5) . . ?
F5 P1 F3 176.9(4) . . ?
F1 P1 F3 90.2(3) . . ?
F2 P1 F3 89.0(5) . . ?
F2A P1 F3 90.8(7) . . ?
F6A P1 F3 123.2(7) . . ?
F4 P1 F3 89.7(5) . . ?
F6 P1 F3 87.7(3) . . ?
F3A P1 F5A 176.9(7) . . ?
F4A P1 F5A 86.2(7) . . ?
F1A P1 F5A 87.6(6) . . ?
F5 P1 F5A 32.5(3) . . ?
F1 P1 F5A 63.9(5) . . ?
F2 P1 F5A 96.8(5) . . ?
F2A P1 F5A 101.8(8) . . ?
F6A P1 F5A 86.3(7) . . ?
F4 P1 F5A 79.2(5) . . ?
F6 P1 F5A 118.9(5) . . ?
F3 P1 F5A 150.4(5) . . ?
C4 O1 N1 107.69(16) . . ?
C15 O2 N2 108.24(16) . . ?
C22 O3 N3 107.08(17) . . ?
C35 O4 N4 107.74(18) . . ?
C40 O5 N5 106.9(2) . . ?
C2 N1 O1 106.50(17) . . ?
C2 N1 Ag1 134.18(16) . . ?
O1 N1 Ag1 119.31(13) . . ?
C17 N2 O2 105.84(18) . . ?
C17 N2 Ag1 138.96(17) . 2_866 ?
O2 N2 Ag1 115.08(12) . 2_866 ?
C20 N3 O3 106.70(17) . . ?
C20 N3 Ag1 136.44(15) . . ?
O3 N3 Ag1 114.73(13) . . ?
C33 N4 O4 105.93(18) . . ?
C33 N4 Ag1 135.22(16) . 2_655 ?
O4 N4 Ag1 113.73(13) . 2_655 ?
C38 N5 O5 105.3(2) . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1 109.5 . . ?
H1A C1 H1 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1 C1 H1C 109.5 . . ?
N1 C2 C3 110.9(2) . . ?
N1 C2 C1 121.0(2) . . ?
C3 C2 C1 128.1(2) . . ?
C4 C3 C2 104.8(2) . . ?
C4 C3 C6 129.5(2) . . ?
C2 C3 C6 125.7(2) . . ?
C3 C4 O1 110.16(19) . . ?
C3 C4 C5 134.4(2) . . ?
O1 C4 C5 115.4(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 115.37(19) . . ?
C3 C6 H6A 108.4 . . ?
C7 C6 H6A 108.4 . . ?
C3 C6 H6B 108.4 . . ?
C7 C6 H6B 108.4 . . ?
H6A C6 H6B 107.5 . . ?
C12 C7 C8 118.4(2) . . ?
C12 C7 C6 120.0(2) . . ?
C8 C7 C6 121.5(2) . . ?
C9 C8 C7 120.6(2) . . ?
C9 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
C8 C9 C10 121.1(2) . . ?
C8 C9 H9 119.4 . . ?
C10 C9 H9 119.4 . . ?
C11 C10 C9 118.1(2) . . ?
C11 C10 C13 120.9(2) . . ?
C9 C10 C13 120.9(2) . . ?
C10 C11 C12 121.0(2) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 H11 119.5 . . ?
C11 C12 C7 120.8(2) . . ?
C11 C12 H12 119.6 . . ?
C7 C12 H12 119.6 . . ?
C14 C13 C10 114.9(2) . . ?
C14 C13 H13A 108.5 . . ?
C10 C13 H13A 108.5 . . ?
C14 C13 H13B 108.5 . . ?
C10 C13 H13B 108.5 . . ?
H13A C13 H13B 107.5 . . ?
C15 C14 C17 104.4(2) . . ?
C15 C14 C13 131.7(2) . . ?
C17 C14 C13 123.8(2) . . ?
C14 C15 O2 109.6(2) . . ?
C14 C15 C16 136.7(2) . . ?
O2 C15 C16 113.7(2) . . ?
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 111.9(2) . . ?
N2 C17 C18 121.3(2) . . ?
C14 C17 C18 126.9(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 111.3(2) . . ?
N3 C20 C19 120.1(2) . . ?
C21 C20 C19 128.5(2) . . ?
C22 C21 C20 104.2(2) . . ?
C22 C21 C24 128.3(2) . . ?
C20 C21 C24 127.5(2) . . ?
C21 C22 O3 110.7(2) . . ?
C21 C22 C23 134.1(3) . . ?
O3 C22 C23 115.2(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 113.6(2) . . ?
C21 C24 H24A 108.9 . . ?
C25 C24 H24A 108.9 . . ?
C21 C24 H24B 108.9 . . ?
C25 C24 H24B 108.9 . . ?
H24A C24 H24B 107.7 . . ?
C30 C25 C26 117.7(3) . . ?
C30 C25 C24 121.4(3) . . ?
C26 C25 C24 121.0(3) . . ?
C27 C26 C25 120.9(3) . . ?
C27 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
C26 C27 C28 121.2(2) . . ?
C26 C27 H27 119.4 . . ?
C28 C27 H27 119.4 . . ?
C29 C28 C27 117.6(2) . . ?
C29 C28 C31 120.7(2) . . ?
C27 C28 C31 121.7(2) . . ?
C28 C29 C30 121.0(3) . . ?
C28 C29 H29 119.5 . . ?
C30 C29 H29 119.5 . . ?
C25 C30 C29 121.6(3) . . ?
C25 C30 H30 119.2 . . ?
C29 C30 H30 119.2 . . ?
C32 C31 C28 115.6(2) . . ?
C32 C31 H31A 108.4 . . ?
C28 C31 H31A 108.4 . . ?
C32 C31 H31B 108.4 . . ?
C28 C31 H31B 108.4 . . ?
H31A C31 H31B 107.4 . . ?
C35 C32 C33 104.4(2) . . ?
C35 C32 C31 128.3(2) . . ?
C33 C32 C31 127.2(2) . . ?
N4 C33 C32 111.7(2) . . ?
N4 C33 C34 120.5(2) . . ?
C32 C33 C34 127.7(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 110.2(2) . . ?
C32 C35 C36 134.6(3) . . ?
O4 C35 C36 115.2(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 . . ?
N5 C38 C39 112.1(3) . . ?
N5 C38 C37 117.7(3) . . ?
C39 C38 C37 130.3(3) . . ?
C40 C39 C38 104.5(3) . . ?
C40 C39 C42 127.9(3) . . ?
C38 C39 C42 127.6(3) . . ?
O5 C40 C39 111.2(3) . . ?
O5 C40 C41 116.6(3) . . ?
C39 C40 C41 132.1(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 116.3(2) . . ?
C39 C42 H42A 108.2 . . ?
C43 C42 H42A 108.2 . . ?
C39 C42 H42B 108.2 . . ?
C43 C42 H42B 108.2 . . ?
H42A C42 H42B 107.4 . . ?
C44 C43 C45 117.8(2) . . ?
C44 C43 C42 122.7(2) . . ?
C45 C43 C42 119.5(2) . . ?
C45 C44 C43 120.5(2) 2_655 . ?
C45 C44 H44 119.8 2_655 . ?
C43 C44 H44 119.8 . . ?
C44 C45 C43 121.7(2) 2_655 . ?
C44 C45 H45 119.1 2_655 . ?
C43 C45 H45 119.1 . . ?
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 N3 2.2532(19) . ?
Ag1 N1 2.2813(19) . ?
Ag1 N4 2.2983(19) 2_655 ?
Ag1 N2 2.348(2) 2_866 ?
P1 F3A 1.500(11) . ?
P1 F4A 1.538(11) . ?
P1 F1A 1.542(7) . ?
P1 F5 1.543(4) . ?
P1 F1 1.547(5) . ?
P1 F2 1.549(8) . ?
P1 F2A 1.570(12) . ?
P1 F6A 1.573(8) . ?
P1 F4 1.574(8) . ?
P1 F6 1.576(4) . ?
P1 F3 1.590(6) . ?
P1 F5A 1.634(8) . ?
O1 C4 1.363(3) . ?
O1 N1 1.413(2) . ?
O2 C15 1.363(3) . ?
O2 N2 1.410(3) . ?
O3 C22 1.363(3) . ?
O3 N3 1.408(2) . ?
O4 C35 1.363(3) . ?
O4 N4 1.414(2) . ?
O5 C40 1.337(3) . ?
O5 N5 1.449(3) . ?
N1 C2 1.309(3) . ?
N2 C17 1.306(3) . ?
N2 Ag1 2.348(2) 2_866 ?
N3 C20 1.306(3) . ?
N4 C33 1.308(3) . ?
N4 Ag1 2.2983(19) 2_655 ?
N5 C38 1.325(4) . ?
C1 C2 1.485(3) . ?
C1 H1A 0.9800 . ?
C1 H1 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.431(3) . ?
C3 C4 1.345(3) . ?
C3 C6 1.506(3) . ?
C4 C5 1.485(3) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.522(3) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C12 1.389(3) . ?
C7 C8 1.391(3) . ?
C8 C9 1.379(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.397(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.380(3) . ?
C10 C13 1.512(4) . ?
C11 C12 1.388(4) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.498(3) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.354(3) . ?
C14 C17 1.421(3) . ?
C15 C16 1.485(3) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.481(3) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.487(3) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.422(3) . ?
C21 C22 1.346(3) . ?
C21 C24 1.506(3) . ?
C22 C23 1.479(3) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.522(4) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C30 1.377(4) . ?
C25 C26 1.389(4) . ?
C26 C27 1.382(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.394(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.380(4) . ?
C28 C31 1.518(4) . ?
C29 C30 1.386(4) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.507(3) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C35 1.348(4) . ?
C32 C33 1.423(3) . ?
C33 C34 1.485(3) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.491(4) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.491(5) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C39 1.394(4) . ?
C39 C40 1.371(4) . ?
C39 C42 1.488(4) . ?
C40 C41 1.475(4) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C43 1.516(3) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.386(3) . ?
C43 C45 1.388(3) . ?
C44 C45 1.378(3) 2_655 ?
C44 H44 0.9500 . ?
C45 C44 1.378(3) 2_655 ?
C45 H45 0.9500 . ?
