#------------------------------------------------------------------------------
#$Date: 2019-11-17 08:34:07 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228882 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/10/7231022.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_7231022
loop_
_publ_author_name
'Thorp-Greenwood, Flora L.'
'Berry, Gilberte Therese'
'Boyadjieva, Sophia S.'
'Oldknow, Samuel'
'Hardie, Michaele J.'
_publ_section_title
;
 2D networks of metallo-capsules and other coordination polymers from a
 hexapodal ligand
;
_journal_issue                   28
_journal_name_full               CrystEngComm
_journal_page_first              3960
_journal_paper_doi               10.1039/C8CE00806J
_journal_volume                  20
_journal_year                    2018
_chemical_formula_sum            'C81 H96 Ag2 B2 F8 N14 O22'
_chemical_formula_weight         2007.08
_chemical_name_systematic
'[hexakis(isonicotinoyl)cyclotricatechylene]disilver(I) tetrafluoroborate dimethylformamide hydrate'
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2018-02-09 deposited with the CCDC.
2018-06-13 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 109.6160(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.80360(10)
_cell_length_b                   33.2827(4)
_cell_length_c                   12.53830(10)
_cell_measurement_reflns_used    12136
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      73.7560
_cell_measurement_theta_min      3.7510
_cell_volume                     4639.87(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0374
_diffrn_reflns_av_sigmaI/netI    0.0409
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            20679
_diffrn_reflns_theta_full        73.88
_diffrn_reflns_theta_max         73.88
_diffrn_reflns_theta_min         3.97
_exptl_absorpt_coefficient_mu    4.178
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.50501
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.437
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             2064
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.01
_refine_diff_density_max         2.278
_refine_diff_density_min         -1.027
_refine_diff_density_rms         0.155
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     602
_refine_ls_number_reflns         9253
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0704
_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)+(0.1357P)²+13.0576P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2009
_refine_ls_wR_factor_ref         0.2080
_reflns_number_gt                8333
_reflns_number_total             9253
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8ce00806j2.cif
_cod_data_source_block           c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7231022--7231030.cif.
;
_cod_original_sg_symbol_H-M      P21/m
_cod_database_code               7231022
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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 0.80568(3) 0.086033(9) 0.18723(3) 0.02739(15) Uani 1 1 d .
F1 F 0.1567(3) 0.10947(8) 0.3147(3) 0.0368(6) Uani 1 1 d .
F2 F 0.3602(4) 0.1135(2) 0.3751(6) 0.106(2) Uani 1 1 d .
F3 F 0.2632(4) 0.11157(19) 0.1970(4) 0.0846(15) Uani 1 1 d .
F4 F 0.2694(4) 0.05586(13) 0.3125(7) 0.099(2) Uani 1 1 d .
O1 O 0.0611(4) 0.16657(16) 0.7671(3) 0.0530(11) Uani 1 1 d .
O2 O -0.1291(3) 0.14965(9) 0.6634(3) 0.0267(6) Uani 1 1 d .
O3 O -0.1714(3) 0.07626(11) 0.4998(3) 0.0380(8) Uani 1 1 d .
O4 O 0.0098(3) 0.10662(9) 0.5600(3) 0.0248(6) Uani 1 1 d .
O5 O 0.2683(5) 0.2003(2) 0.0898(4) 0.093(3) Uani 1 1 d .
O6 O 0.3408(3) 0.20863(9) 0.2775(3) 0.0246(6) Uani 1 1 d .
O7 O 0.6519(4) 0.04086(12) 0.0466(3) 0.0425(9) Uani 1 1 d .
O8 O 0.7422(7) 0.2500 0.7110(6) 0.0652(19) Uani 1 2 d S
O9 O 0.5244(6) 0.1523(4) 0.8350(5) 0.130(4) Uani 1 1 d .
O10 O 0.3460(9) 0.2500 0.5521(9) 0.085(3) Uani 1 2 d S
O11 O 0.5893(4) -0.05167(15) 0.2954(4) 0.0540(11) Uani 1 1 d .
N1 N -0.1310(4) 0.11184(13) 1.0423(3) 0.0326(9) Uani 1 1 d .
N2 N 0.1078(4) -0.03173(11) 0.7148(3) 0.0289(8) Uani 1 1 d .
N3 N 0.6679(3) 0.13187(11) 0.2002(3) 0.0236(7) Uani 1 1 d .
N4 N 0.4598(4) 0.05557(15) 0.0348(4) 0.0412(10) Uani 1 1 d .
N5 N 0.8868(8) 0.2500 0.8865(7) 0.064(2) Uani 1 2 d S
N6 N 0.3966(6) 0.1571(3) 0.6574(5) 0.0694(18) Uani 1 1 d .
N7 N 0.2608(8) 0.2500 0.6924(9) 0.065(2) Uani 1 2 d S
N8 N 0.4571(5) -0.0491(3) 0.3914(6) 0.079(2) Uani 1 1 d .
C1 C -0.2376(5) 0.2500 0.3630(5) 0.0175(10) Uani 1 2 d S
H1A H -0.3141 0.2500 0.3792 0.021 Uiso 1 2 calc SR
H1B H -0.2572 0.2500 0.2798 0.021 Uiso 1 2 calc SR
C2 C -0.1667(3) 0.21223(11) 0.4124(3) 0.0177(7) Uani 1 1 d .
C3 C -0.1732(4) 0.19844(12) 0.5153(3) 0.0202(8) Uani 1 1 d .
H3 H -0.2196 0.2128 0.5516 0.024 Uiso 1 1 calc R
C4 C -0.1128(4) 0.16408(13) 0.5648(4) 0.0225(8) Uani 1 1 d .
C5 C -0.0475(4) 0.14245(12) 0.5119(4) 0.0222(8) Uani 1 1 d .
C6 C -0.0377(4) 0.15588(12) 0.4113(3) 0.0202(8) Uani 1 1 d .
H6 H 0.0093 0.1412 0.3763 0.024 Uiso 1 1 calc R
C7 C -0.0966(3) 0.19108(11) 0.3604(3) 0.0173(7) Uani 1 1 d .
C8 C -0.0851(4) 0.20358(11) 0.2479(3) 0.0177(7) Uani 1 1 d .
H8A H -0.1576 0.2191 0.2045 0.021 Uiso 1 1 calc R
H8B H -0.0826 0.1791 0.2038 0.021 Uiso 1 1 calc R
C9 C 0.0263(4) 0.22898(12) 0.2596(3) 0.0184(7) Uani 1 1 d .
C10 C 0.1328(4) 0.20846(12) 0.2672(3) 0.0205(8) Uani 1 1 d .
H10 H 0.1343 0.1799 0.2693 0.025 Uiso 1 1 calc R
C11 C 0.2348(4) 0.22932(12) 0.2718(3) 0.0221(8) Uani 1 1 d .
C12 C -0.0353(5) 0.15358(15) 0.7616(4) 0.0322(10) Uani 1 1 d .
C13 C -0.0708(5) 0.13948(14) 0.8587(4) 0.0312(10) Uani 1 1 d .
C14 C -0.1881(5) 0.12895(17) 0.8449(4) 0.0371(11) Uani 1 1 d .
H14 H -0.2500 0.1315 0.7735 0.045 Uiso 1 1 calc R
C15 C -0.2127(5) 0.11456(18) 0.9392(4) 0.0386(11) Uani 1 1 d .
H15 H -0.2926 0.1062 0.9293 0.046 Uiso 1 1 calc R
C16 C -0.0188(5) 0.12291(16) 1.0542(4) 0.0354(11) Uani 1 1 d .
H16 H 0.0406 0.1212 1.1273 0.042 Uiso 1 1 calc R
C17 C 0.0154(5) 0.13673(16) 0.9655(4) 0.0360(11) Uani 1 1 d .
H17 H 0.0964 0.1442 0.9775 0.043 Uiso 1 1 calc R
C18 C -0.0661(4) 0.07470(13) 0.5497(4) 0.0246(8) Uani 1 1 d .
C19 C -0.0010(4) 0.03813(13) 0.6083(4) 0.0251(9) Uani 1 1 d .
C20 C -0.0697(4) 0.00469(14) 0.6110(4) 0.0301(10) Uani 1 1 d .
H20 H -0.1547 0.0053 0.5767 0.036 Uiso 1 1 calc R
C21 C -0.0122(4) -0.02967(14) 0.6648(4) 0.0315(10) Uani 1 1 d .
H21 H -0.0593 -0.0527 0.6665 0.038 Uiso 1 1 calc R
C22 C 0.1731(4) 0.00107(14) 0.7123(4) 0.0311(10) Uani 1 1 d .
H22 H 0.2579 -0.0001 0.7483 0.037 Uiso 1 1 calc R
C23 C 0.1224(4) 0.03670(14) 0.6596(4) 0.0296(9) Uani 1 1 d .
H23 H 0.1712 0.0593 0.6589 0.036 Uiso 1 1 calc R
C24 C 0.3471(5) 0.19569(18) 0.1780(4) 0.0390(12) Uani 1 1 d .
C25 C 0.4630(4) 0.17481(15) 0.1904(4) 0.0313(10) Uani 1 1 d .
C26 C 0.5399(4) 0.16073(13) 0.2933(4) 0.0259(9) Uani 1 1 d .
H26 H 0.5249 0.1660 0.3618 0.031 Uiso 1 1 calc R
C27 C 0.6399(4) 0.13864(13) 0.2930(4) 0.0255(9) Uani 1 1 d .
H27 H 0.6909 0.1278 0.3627 0.031 Uiso 1 1 calc R
C28 C 0.5952(5) 0.14760(19) 0.1027(4) 0.0423(13) Uani 1 1 d .
H28 H 0.6160 0.1443 0.0363 0.051 Uiso 1 1 calc R
C29 C 0.4918(6) 0.1683(2) 0.0948(5) 0.0509(16) Uani 1 1 d .
H29 H 0.4408 0.1779 0.0236 0.061 Uiso 1 1 calc R
C30 C 0.5484(5) 0.05105(17) -0.0073(5) 0.0397(12) Uani 1 1 d .
H30 H 0.5302 0.0561 -0.0858 0.048 Uiso 1 1 calc R
C31 C 0.4778(6) 0.0471(2) 0.1522(6) 0.0505(14) Uani 1 1 d .
H31A H 0.4263 0.0246 0.1572 0.076 Uiso 1 1 calc R
H31B H 0.4571 0.0709 0.1879 0.076 Uiso 1 1 calc R
H31C H 0.5622 0.0400 0.1912 0.076 Uiso 1 1 calc R
C32 C 0.3394(6) 0.0668(4) -0.0368(7) 0.079(3) Uani 1 1 d .
H32A H 0.3351 0.0668 -0.1162 0.119 Uiso 1 1 calc R
H32B H 0.3206 0.0938 -0.0160 0.119 Uiso 1 1 calc R
H32C H 0.2812 0.0476 -0.0265 0.119 Uiso 1 1 calc R
C33 C 0.4230(10) 0.1514(4) 0.7672(8) 0.096(3) Uani 1 1 d .
H33 H 0.3587 0.1462 0.7949 0.115 Uiso 1 1 calc R
C34 C 0.2758(7) 0.1533(3) 0.5803(8) 0.079(2) Uani 1 1 d .
H34A H 0.2211 0.1489 0.6232 0.119 Uiso 1 1 calc R
H34B H 0.2711 0.1304 0.5298 0.119 Uiso 1 1 calc R
H34C H 0.2528 0.1779 0.5354 0.119 Uiso 1 1 calc R
C35 C 0.4908(8) 0.1619(4) 0.6093(8) 0.088(3) Uani 1 1 d .
H35A H 0.5570 0.1774 0.6615 0.132 Uiso 1 1 calc R
H35B H 0.4592 0.1761 0.5370 0.132 Uiso 1 1 calc R
H35C H 0.5202 0.1354 0.5968 0.132 Uiso 1 1 calc R
C36 C 0.3542(10) 0.2500 0.6550(11) 0.069(3) Uani 1 2 d S
H36 H 0.4326 0.2500 0.7099 0.083 Uiso 1 2 calc SR
C37 C 0.1375(8) 0.2500 0.6159(12) 0.071(3) Uani 1 2 d S
H37A H 0.1021 0.2766 0.6159 0.106 Uiso 0.50 1 calc PR
H37B H 0.0911 0.2299 0.6410 0.106 Uiso 0.50 1 calc PR
H37C H 0.1359 0.2434 0.5393 0.106 Uiso 0.50 1 calc PR
C38 C 0.2808(12) 0.2500 0.8141(12) 0.082(4) Uani 1 2 d S
H38A H 0.2234 0.2683 0.8302 0.123 Uiso 0.50 1 calc PR
H38B H 0.3630 0.2590 0.8552 0.123 Uiso 0.50 1 calc PR
H38C H 0.2695 0.2228 0.8384 0.123 Uiso 0.50 1 calc PR
C39 C 0.5648(6) -0.0538(3) 0.3811(7) 0.075(3) Uani 1 1 d .
H39 H 0.6295 -0.0595 0.4487 0.090 Uiso 1 1 calc R
C40 C 0.3529(6) -0.0405(2) 0.2957(7) 0.0599(17) Uani 1 1 d .
H40A H 0.3311 -0.0121 0.2974 0.090 Uiso 1 1 calc R
H40B H 0.2859 -0.0574 0.2981 0.090 Uiso 1 1 calc R
H40C H 0.3702 -0.0459 0.2259 0.090 Uiso 1 1 calc R
C41 C 0.4383(9) -0.0488(7) 0.5016(11) 0.198(12) Uani 1 1 d .
H41A H 0.5164 -0.0494 0.5625 0.297 Uiso 1 1 calc R
H41B H 0.3912 -0.0724 0.5075 0.297 Uiso 1 1 calc R
H41C H 0.3949 -0.0243 0.5081 0.297 Uiso 1 1 calc R
C42 C 0.8487(9) 0.2500 0.7747(7) 0.0481(19) Uani 1 2 d S
H42 H 0.9086 0.2500 0.7395 0.058 Uiso 1 2 calc SR
C43 C 0.8007(16) 0.2500 0.9443(12) 0.184(15) Uani 1 2 d S
H43A H 0.7937 0.2228 0.9716 0.276 Uiso 0.50 1 calc PR
H43B H 0.7223 0.2587 0.8921 0.276 Uiso 0.50 1 calc PR
H43C H 0.8271 0.2685 1.0087 0.276 Uiso 0.50 1 calc PR
C44 C 1.0133(10) 0.2500 0.9536(9) 0.064(3) Uani 1 2 d S
H44A H 1.0223 0.2500 1.0342 0.096 Uiso 1 2 calc SR
H44B H 1.0517 0.2740 0.9360 0.096 Uiso 0.50 1 calc PR
H44C H 1.0517 0.2260 0.9360 0.096 Uiso 0.50 1 calc PR
B1 B 0.2606(6) 0.0958(2) 0.2969(7) 0.0487(16) Uani 1 1 d .
O12 O 0.5628(14) 0.2500 0.4986(13) 0.138(5) Uiso 1 2 d S
O13 O 0.0000 0.0000 1.0000 0.133(4) Uiso 1 2 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 '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
N2 Ag1 N3 135.23(14) 3_656 .
N2 Ag1 N1 121.13(15) 3_656 1_654
N3 Ag1 N1 103.35(14) . 1_654
N2 Ag1 O7 89.49(14) 3_656 .
N3 Ag1 O7 94.85(13) . .
N1 Ag1 O7 91.02(14) 1_654 .
C12 O2 C4 117.2(3) . .
C18 O4 C5 114.5(3) . .
C24 O6 C11 115.7(3) . .
C30 O7 Ag1 124.2(4) . .
C15 N1 C16 117.3(4) . .
C15 N1 Ag1 117.5(3) . 1_456
C16 N1 Ag1 125.2(3) . 1_456
C22 N2 C21 118.1(4) . .
C22 N2 Ag1 120.8(3) . 3_656
C21 N2 Ag1 120.9(3) . 3_656
C27 N3 C28 117.4(4) . .
C27 N3 Ag1 124.7(3) . .
C28 N3 Ag1 116.8(3) . .
C30 N4 C31 121.1(5) . .
C30 N4 C32 121.4(6) . .
C31 N4 C32 117.4(6) . .
C42 N5 C43 119.3(11) . .
C42 N5 C44 122.3(9) . .
C43 N5 C44 118.3(10) . .
C33 N6 C34 121.6(8) . .
C33 N6 C35 120.5(8) . .
C34 N6 C35 117.4(7) . .
C36 N7 C37 122.1(11) . .
C36 N7 C38 120.2(11) . .
C37 N7 C38 117.7(10) . .
C39 N8 C40 121.6(7) . .
C39 N8 C41 122.8(7) . .
C40 N8 C41 115.4(6) . .
C2 C1 C2 111.4(4) . 4_565
C2 C1 H1A 109.3 . .
C2 C1 H1A 109.3 4_565 .
C2 C1 H1B 109.3 . .
C2 C1 H1B 109.3 4_565 .
H1A C1 H1B 108.0 . .
C3 C2 C7 119.3(4) . .
C3 C2 C1 117.0(4) . .
C7 C2 C1 123.7(4) . .
C4 C3 C2 120.5(4) . .
C4 C3 H3 119.7 . .
C2 C3 H3 119.7 . .
C5 C4 C3 120.3(4) . .
C5 C4 O2 120.8(4) . .
C3 C4 O2 118.6(4) . .
C4 C5 C6 120.2(4) . .
C4 C5 O4 120.3(4) . .
C6 C5 O4 119.5(4) . .
C5 C6 C7 120.4(4) . .
C5 C6 H6 119.8 . .
C7 C6 H6 119.8 . .
C6 C7 C2 119.2(4) . .
C6 C7 C8 117.8(3) . .
C2 C7 C8 123.0(3) . .
C7 C8 C9 113.8(3) . .
C7 C8 H8A 108.8 . .
C9 C8 H8A 108.8 . .
C7 C8 H8B 108.8 . .
C9 C8 H8B 108.8 . .
H8A C8 H8B 107.7 . .
C9 C9 C10 119.1(2) 4_565 .
C9 C9 C8 123.6(2) 4_565 .
C10 C9 C8 117.3(3) . .
C11 C10 C9 120.6(4) . .
C11 C10 H10 119.7 . .
C9 C10 H10 119.7 . .
C10 C11 C11 120.3(2) . 4_565
C10 C11 O6 120.4(4) . .
C11 C11 O6 119.3(2) 4_565 .
O1 C12 O2 123.8(4) . .
O1 C12 C13 126.1(5) . .
O2 C12 C13 110.1(4) . .
C14 C13 C17 118.9(5) . .
C14 C13 C12 121.5(5) . .
C17 C13 C12 119.6(5) . .
C13 C14 C15 117.8(5) . .
C13 C14 H14 121.1 . .
C15 C14 H14 121.1 . .
N1 C15 C14 123.9(5) . .
N1 C15 H15 118.1 . .
C14 C15 H15 118.1 . .
N1 C16 C17 123.2(5) . .
N1 C16 H16 118.4 . .
C17 C16 H16 118.4 . .
C16 C17 C13 118.8(5) . .
C16 C17 H17 120.6 . .
C13 C17 H17 120.6 . .
O3 C18 O4 123.4(4) . .
O3 C18 C19 124.6(4) . .
O4 C18 C19 112.0(4) . .
C23 C19 C20 119.8(4) . .
C23 C19 C18 123.0(4) . .
C20 C19 C18 117.2(4) . .
C21 C20 C19 118.7(4) . .
C21 C20 H20 120.7 . .
C19 C20 H20 120.7 . .
N2 C21 C20 122.5(4) . .
N2 C21 H21 118.8 . .
C20 C21 H21 118.8 . .
N2 C22 C23 123.1(4) . .
N2 C22 H22 118.5 . .
C23 C22 H22 118.5 . .
C19 C23 C22 117.9(4) . .
C19 C23 H23 121.0 . .
C22 C23 H23 121.0 . .
O5 C24 O6 123.4(5) . .
O5 C24 C25 123.9(5) . .
O6 C24 C25 112.7(4) . .
C29 C25 C26 118.9(4) . .
C29 C25 C24 118.1(4) . .
C26 C25 C24 123.0(4) . .
C25 C26 C27 117.9(4) . .
C25 C26 H26 121.0 . .
C27 C26 H26 121.0 . .
N3 C27 C26 123.4(4) . .
N3 C27 H27 118.3 . .
C26 C27 H27 118.3 . .
N3 C28 C29 122.7(5) . .
N3 C28 H28 118.6 . .
C29 C28 H28 118.6 . .
C25 C29 C28 119.5(5) . .
C25 C29 H29 120.3 . .
C28 C29 H29 120.3 . .
O7 C30 N4 125.6(5) . .
O7 C30 H30 117.2 . .
N4 C30 H30 117.2 . .
N4 C31 H31A 109.5 . .
N4 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
N4 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
N4 C32 H32A 109.5 . .
N4 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
N4 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
O9 C33 N6 124.0(10) . .
O9 C33 H33 118.0 . .
N6 C33 H33 118.0 . .
N6 C34 H34A 109.5 . .
N6 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
N6 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
N6 C35 H35A 109.5 . .
N6 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
N6 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
O10 C36 N7 124.8(12) . .
O10 C36 H36 117.6 . .
N7 C36 H36 117.6 . .
N7 C37 H37A 109.5 . .
N7 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
N7 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
N7 C38 H38A 109.5 . .
N7 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
N7 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
O11 C39 N8 127.1(7) . .
O11 C39 H39 116.5 . .
N8 C39 H39 116.5 . .
N8 C40 H40A 109.5 . .
N8 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
N8 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
N8 C41 H41A 109.5 . .
N8 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
N8 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
O8 C42 N5 126.4(9) . .
O8 C42 H42 116.8 . .
N5 C42 H42 116.8 . .
N5 C43 H43A 109.5 . .
N5 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
N5 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
N5 C44 H44A 109.5 . .
N5 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
N5 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
F4 B1 F3 119.3(8) . .
F4 B1 F2 108.2(6) . .
F3 B1 F2 102.2(6) . .
F4 B1 F1 109.1(5) . .
F3 B1 F1 108.2(5) . .
F2 B1 F1 109.4(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N2 2.231(3) 3_656
Ag1 N3 2.275(3) .
Ag1 N1 2.348(4) 1_654
Ag1 O7 2.553(4) .
F1 B1 1.395(7) .
F2 B1 1.384(10) .
F3 B1 1.367(9) .
F4 B1 1.343(8) .
O1 C12 1.197(6) .
O2 C12 1.358(6) .
O2 C4 1.398(5) .
O3 C18 1.191(6) .
O4 C18 1.367(5) .
O4 C5 1.403(5) .
O5 C24 1.192(7) .
O6 C24 1.346(6) .
O6 C11 1.408(5) .
O7 C30 1.228(7) .
O8 C42 1.242(12) .
O9 C33 1.214(12) .
O10 C36 1.261(16) .
O11 C39 1.205(9) .
N1 C15 1.331(7) .
N1 C16 1.335(7) .
N1 Ag1 2.348(4) 1_456
N2 C22 1.343(6) .
N2 C21 1.345(6) .
N2 Ag1 2.230(3) 3_656
N3 C27 1.331(6) .
N3 C28 1.342(6) .
N4 C30 1.329(7) .
N4 C31 1.443(8) .
N4 C32 1.453(9) .
N5 C42 1.320(12) .
N5 C43 1.433(16) .
N5 C44 1.447(14) .
N6 C33 1.320(11) .
N6 C34 1.434(10) .
N6 C35 1.440(11) .
N7 C36 1.335(15) .
N7 C37 1.449(14) .
N7 C38 1.463(17) .
N8 C39 1.330(9) .
N8 C40 1.430(9) .
N8 C41 1.471(13) .
C1 C2 1.522(5) .
C1 C2 1.522(5) 4_565
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 C3 1.396(6) .
C2 C7 1.402(6) .
C3 C4 1.380(6) .
C3 H3 0.9500 .
C4 C5 1.377(6) .
C5 C6 1.379(6) .
C6 C7 1.402(5) .
C6 H6 0.9500 .
C7 C8 1.520(5) .
C8 C9 1.529(5) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C9 1.400(8) 4_565
C9 C10 1.405(6) .
C10 C11 1.374(6) .
C10 H10 0.9500 .
C11 C11 1.376(8) 4_565
C12 C13 1.489(6) .
C13 C14 1.382(7) .
C13 C17 1.386(7) .
C14 C15 1.394(7) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 C17 1.383(7) .
C16 H16 0.9500 .
C17 H17 0.9500 .
C18 C19 1.494(6) .
C19 C23 1.381(6) .
C19 C20 1.384(6) .
C20 C21 1.385(6) .
C20 H20 0.9500 .
C21 H21 0.9500 .
C22 C23 1.391(6) .
C22 H22 0.9500 .
C23 H23 0.9500 .
C24 C25 1.495(7) .
C25 C29 1.369(7) .
C25 C26 1.386(7) .
C26 C27 1.392(6) .
C26 H26 0.9500 .
C27 H27 0.9500 .
C28 C29 1.375(7) .
C28 H28 0.9500 .
C29 H29 0.9500 .
C30 H30 0.9500 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 H33 0.9500 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 H36 0.9500 .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 H39 0.9500 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
C42 H42 0.9500 .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
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
N2 Ag1 O7 C30 150.3(4) 3_656 .
N3 Ag1 O7 C30 14.9(4) . .
N1 Ag1 O7 C30 -88.6(4) 1_654 .
N2 Ag1 N3 C27 19.4(5) 3_656 .
N1 Ag1 N3 C27 -154.2(4) 1_654 .
O7 Ag1 N3 C27 113.6(4) . .
N2 Ag1 N3 C28 -147.9(4) 3_656 .
N1 Ag1 N3 C28 38.5(4) 1_654 .
O7 Ag1 N3 C28 -53.7(4) . .
C2 C1 C2 C3 84.7(5) 4_565 .
C2 C1 C2 C7 -95.3(5) 4_565 .
C7 C2 C3 C4 -0.9(6) . .
C1 C2 C3 C4 179.1(4) . .
C2 C3 C4 C5 -1.5(6) . .
C2 C3 C4 O2 -175.2(4) . .
C12 O2 C4 C5 77.6(5) . .
C12 O2 C4 C3 -108.7(5) . .
C3 C4 C5 C6 2.7(6) . .
O2 C4 C5 C6 176.3(4) . .
C3 C4 C5 O4 -177.4(4) . .
O2 C4 C5 O4 -3.8(6) . .
C18 O4 C5 C4 74.3(5) . .
C18 O4 C5 C6 -105.7(4) . .
C4 C5 C6 C7 -1.7(6) . .
O4 C5 C6 C7 178.4(4) . .
C5 C6 C7 C2 -0.7(6) . .
C5 C6 C7 C8 -178.3(4) . .
C3 C2 C7 C6 1.9(6) . .
C1 C2 C7 C6 -178.1(4) . .
C3 C2 C7 C8 179.4(3) . .
C1 C2 C7 C8 -0.6(6) . .
C6 C7 C8 C9 -86.5(4) . .
C2 C7 C8 C9 96.0(4) . .
C7 C8 C9 C9 -93.8(3) . 4_565
C7 C8 C9 C10 88.2(4) . .
C9 C9 C10 C11 -1.6(5) 4_565 .
C8 C9 C10 C11 176.5(4) . .
C9 C10 C11 C11 1.6(5) . 4_565
C9 C10 C11 O6 -179.0(4) . .
C24 O6 C11 C10 82.7(5) . .
C24 O6 C11 C11 -97.9(4) . 4_565
C4 O2 C12 O1 -4.1(7) . .
C4 O2 C12 C13 175.9(4) . .
O1 C12 C13 C14 173.1(6) . .
O2 C12 C13 C14 -7.0(7) . .
O1 C12 C13 C17 -7.0(8) . .
O2 C12 C13 C17 173.0(4) . .
C17 C13 C14 C15 -2.4(8) . .
C12 C13 C14 C15 177.5(5) . .
C16 N1 C15 C14 -1.4(8) . .
Ag1 N1 C15 C14 -179.5(5) 1_456 .
C13 C14 C15 N1 2.7(9) . .
C15 N1 C16 C17 -0.1(8) . .
Ag1 N1 C16 C17 177.8(4) 1_456 .
N1 C16 C17 C13 0.3(8) . .
C14 C13 C17 C16 1.1(8) . .
C12 C13 C17 C16 -178.9(5) . .
C5 O4 C18 O3 3.3(6) . .
C5 O4 C18 C19 -176.6(4) . .
O3 C18 C19 C23 175.9(5) . .
O4 C18 C19 C23 -4.1(6) . .
O3 C18 C19 C20 -4.7(7) . .
O4 C18 C19 C20 175.3(4) . .
C23 C19 C20 C21 -0.5(7) . .
C18 C19 C20 C21 -179.9(4) . .
C22 N2 C21 C20 0.4(8) . .
Ag1 N2 C21 C20 174.8(4) 3_656 .
C19 C20 C21 N2 0.2(8) . .
C21 N2 C22 C23 -0.7(8) . .
Ag1 N2 C22 C23 -175.1(4) 3_656 .
C20 C19 C23 C22 0.2(7) . .
C18 C19 C23 C22 179.6(4) . .
N2 C22 C23 C19 0.4(8) . .
C11 O6 C24 O5 -1.4(9) . .
C11 O6 C24 C25 178.7(4) . .
O5 C24 C25 C29 14.5(10) . .
O6 C24 C25 C29 -165.7(6) . .
O5 C24 C25 C26 -163.3(7) . .
O6 C24 C25 C26 16.5(8) . .
C29 C25 C26 C27 -3.4(8) . .
C24 C25 C26 C27 174.4(5) . .
C28 N3 C27 C26 0.4(7) . .
Ag1 N3 C27 C26 -166.8(3) . .
C25 C26 C27 N3 2.9(7) . .
C27 N3 C28 C29 -3.4(9) . .
Ag1 N3 C28 C29 164.9(6) . .
C26 C25 C29 C28 0.7(10) . .
C24 C25 C29 C28 -177.2(6) . .
N3 C28 C29 C25 2.9(11) . .
Ag1 O7 C30 N4 -73.0(7) . .
C31 N4 C30 O7 -2.3(9) . .
C32 N4 C30 O7 -178.5(7) . .
C34 N6 C33 O9 176.1(12) . .
C35 N6 C33 O9 5(2) . .
C37 N7 C36 O10 0.000(6) . .
C38 N7 C36 O10 180.000(4) . .
C40 N8 C39 O11 0.1(17) . .
C41 N8 C39 O11 -174.3(15) . .
C43 N5 C42 O8 0.000(5) . .
C44 N5 C42 O8 180.000(4) . .
