#------------------------------------------------------------------------------
#$Date: 2017-06-29 04:45:22 +0300 (Thu, 29 Jun 2017) $
#$Revision: 198226 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/86/7228601.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_7228601
loop_
_publ_author_name
'Zhang, Fan'
'Baudron, Stéphane'
'Hosseini, Mir Wais'
_publ_section_title
;
 Solvent and anion effects on the organization of a luminescent [2+2]
 BODIPY/Ag(I) metallamacrocycle in the crystalline state
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C7CE00997F
_journal_year                    2017
_chemical_formula_sum            'C39 H32 Ag B2 Cl3 F6 N4'
_chemical_formula_weight         906.55
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2017-04-12 deposited with the CCDC.
2017-06-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.466(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.9253(8)
_cell_length_b                   8.4818(4)
_cell_length_c                   24.5491(11)
_cell_measurement_reflns_used    9319
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.48
_cell_measurement_theta_min      2.49
_cell_volume                     3862.0(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.931
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0596
_diffrn_reflns_av_unetI/netI     0.0510
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.931
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            96266
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.931
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.137
_diffrn_reflns_theta_min         2.492
_exptl_absorpt_coefficient_mu    0.794
_exptl_absorpt_correction_T_max  0.983
_exptl_absorpt_correction_T_min  0.968
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            dark-blue
_exptl_crystal_density_diffrn    1.559
_exptl_crystal_density_meas      ?
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1824
_exptl_crystal_size_max          0.040
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.020
_refine_diff_density_max         2.436
_refine_diff_density_min         -1.933
_refine_diff_density_rms         0.178
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         10592
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.1842
_refine_ls_R_factor_gt           0.1248
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1777P)²+28.3275P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3275
_refine_ls_wR_factor_ref         0.3709
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6499
_reflns_number_total             10592
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7ce00997f2.cif
_cod_data_source_block           compound5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_database_code               7228601
_shelx_shelxl_version_number     2016/6
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.969
_shelx_estimated_absorpt_t_max   0.984
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4079(3) 0.6800(7) 0.5629(3) 0.0294(12) Uani 1 1 d . . . . .
C2 C 0.4129(3) 0.5949(7) 0.5149(3) 0.0310(13) Uani 1 1 d . . . . .
H2 H 0.433800 0.495859 0.514342 0.037 Uiso 1 1 calc R U . . .
C3 C 0.3821(4) 0.6801(6) 0.4690(3) 0.0299(13) Uani 1 1 d . . . . .
C4 C 0.3572(3) 0.8248(7) 0.4893(3) 0.0282(12) Uani 1 1 d . . . . .
C5 C 0.3224(3) 0.9549(6) 0.4615(2) 0.0234(11) Uani 1 1 d . . . . .
C6 C 0.3046(3) 1.0845(6) 0.4912(2) 0.0246(11) Uani 1 1 d . . . . .
C7 C 0.2731(3) 1.2338(6) 0.4736(2) 0.0256(11) Uani 1 1 d . . . . .
C8 C 0.2706(4) 1.3181(6) 0.5213(3) 0.0290(12) Uani 1 1 d . . . . .
H8 H 0.252263 1.419492 0.522608 0.035 Uiso 1 1 calc R U . . .
C9 C 0.3005(3) 1.2249(6) 0.5677(2) 0.0276(12) Uani 1 1 d . . . . .
C10 C 0.3765(4) 0.6308(7) 0.4102(3) 0.0364(14) Uani 1 1 d . . . . .
H10A H 0.326685 0.618092 0.392983 0.055 Uiso 1 1 calc R U . . .
H10B H 0.401352 0.532503 0.409005 0.055 Uiso 1 1 calc R U . . .
H10C H 0.397937 0.709834 0.390663 0.055 Uiso 1 1 calc R U . . .
C11 C 0.2519(4) 1.2947(7) 0.4157(3) 0.0352(14) Uani 1 1 d . . . . .
H11A H 0.223899 1.389132 0.415649 0.053 Uiso 1 1 calc R U . . .
H11B H 0.223705 1.216575 0.392739 0.053 Uiso 1 1 calc R U . . .
H11C H 0.294406 1.317651 0.401348 0.053 Uiso 1 1 calc R U . . .
C12 C 0.4350(3) 0.6436(7) 0.6210(3) 0.0317(13) Uani 1 1 d . . . . .
H12 H 0.430877 0.720366 0.647233 0.038 Uiso 1 1 calc R U . . .
C13 C 0.4655(4) 0.5060(8) 0.6391(3) 0.0356(14) Uani 1 1 d . . . . .
H13 H 0.469075 0.428164 0.613056 0.043 Uiso 1 1 calc R U . . .
C14 C 0.4934(4) 0.4725(8) 0.6975(3) 0.0346(14) Uani 1 1 d . . . . .
C15 C 0.5154(4) 0.3179(8) 0.7131(3) 0.0419(17) Uani 1 1 d . . . . .
H15 H 0.513206 0.240905 0.685819 0.050 Uiso 1 1 calc R U . . .
C16 C 0.5401(4) 0.2784(9) 0.7679(3) 0.0445(17) Uani 1 1 d . . . . .
H16 H 0.554905 0.175935 0.777657 0.053 Uiso 1 1 calc R U . . .
C17 C 0.5428(4) 0.3929(9) 0.8082(3) 0.0393(15) Uani 1 1 d . . . . .
C18 C 0.5216(4) 0.5485(8) 0.7944(3) 0.0429(17) Uani 1 1 d . . . . .
H18 H 0.523464 0.624926 0.821811 0.051 Uiso 1 1 calc R U . . .
C19 C 0.4980(4) 0.5852(8) 0.7393(3) 0.0406(16) Uani 1 1 d . . . . .
H19 H 0.484808 0.688607 0.729616 0.049 Uiso 1 1 calc R U . . .
C20 C 0.5669(4) 0.3578(9) 0.8660(3) 0.0436(16) Uani 1 1 d . . . . .
C21 C 0.3124(3) 1.2616(7) 0.6259(3) 0.0288(12) Uani 1 1 d . . . . .
H21 H 0.329964 1.182123 0.651051 0.035 Uiso 1 1 calc R U . . .
C22 C 0.2997(3) 1.4032(7) 0.6463(2) 0.0297(12) Uani 1 1 d . . . . .
H22 H 0.279651 1.480417 0.620984 0.036 Uiso 1 1 calc R U . . .
C23 C 0.3150(3) 1.4454(7) 0.7047(2) 0.0296(12) Uani 1 1 d . . . . .
C24 C 0.3394(4) 1.3383(8) 0.7471(3) 0.0352(14) Uani 1 1 d . . . . .
H24 H 0.346873 1.233874 0.738129 0.042 Uiso 1 1 calc R U . . .
C25 C 0.3529(4) 1.3834(9) 0.8018(3) 0.0388(15) Uani 1 1 d . . . . .
H25 H 0.369086 1.310242 0.829733 0.047 Uiso 1 1 calc R U . . .
C26 C 0.3420(4) 1.5388(9) 0.8152(3) 0.0392(15) Uani 1 1 d . . . . .
C27 C 0.3193(4) 1.6486(9) 0.7742(3) 0.0420(16) Uani 1 1 d . . . . .
H27 H 0.313149 1.753152 0.783703 0.050 Uiso 1 1 calc R U . . .
C28 C 0.3055(4) 1.6045(7) 0.7191(3) 0.0364(15) Uani 1 1 d . . . . .
H28 H 0.289970 1.678896 0.691472 0.044 Uiso 1 1 calc R U . . .
C29 C 0.3537(4) 1.5840(10) 0.8730(3) 0.0464(18) Uani 1 1 d . . . . .
C30 C 0.3046(3) 0.9566(6) 0.3999(2) 0.0255(12) Uani 1 1 d . . . . .
C31 C 0.3531(4) 1.0254(7) 0.3705(3) 0.0351(14) Uani 1 1 d . . . . .
C32 C 0.3348(5) 1.0220(8) 0.3123(3) 0.051(2) Uani 1 1 d . . . . .
H32 H 0.365778 1.068617 0.291980 0.061 Uiso 1 1 calc R U . . .
C33 C 0.2743(5) 0.9542(8) 0.2849(3) 0.051(2) Uani 1 1 d . . . . .
C34 C 0.2269(5) 0.8886(7) 0.3148(3) 0.0415(17) Uani 1 1 d . . . . .
H34 H 0.184032 0.844869 0.295606 0.050 Uiso 1 1 calc R U . . .
C35 C 0.2410(4) 0.8861(6) 0.3720(2) 0.0295(13) Uani 1 1 d . . . . .
C36 C 0.4221(5) 1.0984(10) 0.3998(4) 0.0563(13) Uani 1 1 d . . . . .
H36A H 0.448901 1.023146 0.424913 0.084 Uiso 1 1 calc R U . . .
H36B H 0.411684 1.189065 0.420233 0.084 Uiso 1 1 calc R U . . .
H36C H 0.449972 1.129934 0.372962 0.084 Uiso 1 1 calc R U . . .
C37 C 0.2568(5) 0.9531(10) 0.2220(4) 0.0563(13) Uani 1 1 d . . . . .
H37A H 0.207284 0.982508 0.209271 0.084 Uiso 1 1 calc R U . . .
H37B H 0.264567 0.849255 0.208817 0.084 Uiso 1 1 calc R U . . .
H37C H 0.287396 1.026799 0.208123 0.084 Uiso 1 1 calc R U . . .
C38 C 0.1901(5) 0.8065(10) 0.4039(4) 0.0563(13) Uani 1 1 d . . . . .
H38A H 0.171217 0.883387 0.425867 0.084 Uiso 1 1 calc R U . . .
H38B H 0.215732 0.726915 0.427779 0.084 Uiso 1 1 calc R U . . .
H38C H 0.151122 0.758610 0.378191 0.084 Uiso 1 1 calc R U . . .
B1 B 0.3568(4) 0.9493(8) 0.5868(3) 0.0293(14) Uani 1 1 d . . . . .
N1 N 0.3742(3) 0.8195(5) 0.5472(2) 0.0264(10) Uani 1 1 d . . . . .
N2 N 0.3208(3) 1.0846(5) 0.54926(19) 0.0254(10) Uani 1 1 d . . . . .
N3 N 0.5868(4) 0.3385(8) 0.9124(3) 0.0524(17) Uani 1 1 d . . . . .
N4 N 0.3613(4) 1.6172(10) 0.9178(3) 0.059(2) Uani 1 1 d . . . . .
F1 F 0.4189(2) 1.0033(5) 0.62064(18) 0.0467(11) Uani 1 1 d . . . . .
F2 F 0.3102(2) 0.8909(5) 0.61888(16) 0.0431(10) Uani 1 1 d . . . . .
Ag1 Ag 0.62640(5) 0.30560(12) 0.99911(3) 0.0742(3) Uani 1 1 d . . . . .
B2 B 0.4841(15) -0.0399(18) 0.8452(10) 0.1141(19) Uani 0.352(9) 1 d D . P A 1
F4 F 0.5558(15) -0.005(3) 0.8558(10) 0.1141(19) Uani 0.352(9) 1 d D . P A 1
F5 F 0.4763(18) -0.084(2) 0.7914(9) 0.1141(19) Uani 0.352(9) 1 d D . P A 1
F6 F 0.4906(19) -0.188(2) 0.8665(11) 0.1141(19) Uani 0.352(9) 1 d D . P A 1
B2B B 0.450(2) -0.031(3) 0.8348(13) 0.1141(19) Uani 0.648(9) 1 d . . P A 2
F4B F 0.5277(9) -0.0656(14) 0.8274(6) 0.1141(19) Uani 0.648(9) 1 d . . P A 2
F5B F 0.4195(9) -0.0245(13) 0.7831(5) 0.1141(19) Uani 0.648(9) 1 d . . P A 2
F6B F 0.4425(10) -0.1544(14) 0.8626(6) 0.1141(19) Uani 0.648(9) 1 d . . P A 2
F3 F 0.4611(5) 0.1019(8) 0.8609(3) 0.1141(19) Uani 1 1 d D . . . .
C39 C 0.5941(7) -0.1547(14) 1.0254(7) 0.091(4) Uani 1 1 d . . . . .
H39 H 0.572246 -0.108227 1.054636 0.110 Uiso 1 1 calc R U . . .
Cl2 Cl 0.5924(2) -0.0170(3) 0.97403(14) 0.0879(9) Uani 1 1 d . . . . .
Cl3 Cl 0.6798(2) -0.2195(4) 1.05497(15) 0.0927(9) Uani 1 1 d . . . . .
Cl1 Cl 0.5411(2) -0.3241(4) 0.9973(2) 0.1075(13) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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 0.0010 0.0010 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0170 0.0100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1480 0.1590 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8970 1.1020 '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
N1 C1 C2 108.4(5) . .
N1 C1 C12 121.1(6) . .
C2 C1 C12 130.4(6) . .
C3 C2 C1 109.3(5) . .
C3 C2 H2 125.3 . .
C1 C2 H2 125.3 . .
C2 C3 C4 106.3(5) . .
C2 C3 C10 126.0(5) . .
C4 C3 C10 127.7(6) . .
C5 C4 N1 121.1(5) . .
C5 C4 C3 131.4(6) . .
N1 C4 C3 107.5(5) . .
C4 C5 C6 120.5(5) . .
C4 C5 C30 119.9(5) . .
C6 C5 C30 119.7(5) . .
C5 C6 N2 120.3(5) . .
C5 C6 C7 132.1(5) . .
N2 C6 C7 107.5(5) . .
C8 C7 C6 106.6(5) . .
C8 C7 C11 125.5(5) . .
C6 C7 C11 127.7(5) . .
C7 C8 C9 108.6(5) . .
C7 C8 H8 125.7 . .
C9 C8 H8 125.7 . .
N2 C9 C8 108.6(5) . .
N2 C9 C21 121.5(5) . .
C8 C9 C21 129.8(5) . .
C3 C10 H10A 109.5 . .
C3 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C3 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C7 C11 H11A 109.5 . .
C7 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C7 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C13 C12 C1 123.8(6) . .
C13 C12 H12 118.1 . .
C1 C12 H12 118.1 . .
C12 C13 C14 123.0(7) . .
C12 C13 H13 118.5 . .
C14 C13 H13 118.5 . .
C19 C14 C15 117.9(6) . .
C19 C14 C13 123.4(6) . .
C15 C14 C13 118.7(7) . .
C16 C15 C14 121.2(7) . .
C16 C15 H15 119.4 . .
C14 C15 H15 119.4 . .
C15 C16 C17 119.1(6) . .
C15 C16 H16 120.4 . .
C17 C16 H16 120.4 . .
C16 C17 C18 121.4(6) . .
C16 C17 C20 121.5(6) . .
C18 C17 C20 117.1(7) . .
C19 C18 C17 118.2(7) . .
C19 C18 H18 120.9 . .
C17 C18 H18 120.9 . .
C18 C19 C14 122.1(6) . .
C18 C19 H19 119.0 . .
C14 C19 H19 119.0 . .
N3 C20 C17 176.2(8) . .
C22 C21 C9 124.1(6) . .
C22 C21 H21 117.9 . .
C9 C21 H21 117.9 . .
C21 C22 C23 125.1(6) . .
C21 C22 H22 117.5 . .
C23 C22 H22 117.5 . .
C24 C23 C28 118.5(6) . .
C24 C23 C22 123.4(5) . .
C28 C23 C22 118.1(6) . .
C25 C24 C23 121.3(6) . .
C25 C24 H24 119.3 . .
C23 C24 H24 119.3 . .
C24 C25 C26 119.4(7) . .
C24 C25 H25 120.3 . .
C26 C25 H25 120.3 . .
C27 C26 C25 120.8(6) . .
C27 C26 C29 120.2(7) . .
C25 C26 C29 119.0(7) . .
C26 C27 C28 120.3(6) . .
C26 C27 H27 119.8 . .
C28 C27 H27 119.8 . .
C27 C28 C23 119.7(6) . .
C27 C28 H28 120.2 . .
C23 C28 H28 120.2 . .
N4 C29 C26 178.4(10) . .
C35 C30 C31 120.9(6) . .
C35 C30 C5 119.8(5) . .
C31 C30 C5 119.3(6) . .
C30 C31 C32 117.5(7) . .
C30 C31 C36 121.6(6) . .
C32 C31 C36 120.9(6) . .
C33 C32 C31 122.3(7) . .
C33 C32 H32 118.9 . .
C31 C32 H32 118.9 . .
C32 C33 C34 119.2(6) . .
C32 C33 C37 120.5(7) . .
C34 C33 C37 120.3(8) . .
C35 C34 C33 122.1(7) . .
C35 C34 H34 118.9 . .
C33 C34 H34 118.9 . .
C34 C35 C30 117.9(6) . .
C34 C35 C38 121.3(7) . .
C30 C35 C38 120.8(6) . .
C31 C36 H36A 109.5 . .
C31 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C31 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C33 C37 H37A 109.5 . .
C33 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C33 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C35 C38 H38A 109.5 . .
C35 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C35 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
F1 B1 F2 109.8(5) . .
F1 B1 N2 109.6(5) . .
F2 B1 N2 110.5(5) . .
F1 B1 N1 110.7(5) . .
F2 B1 N1 110.0(5) . .
N2 B1 N1 106.1(5) . .
C1 N1 C4 108.4(5) . .
C1 N1 B1 125.9(5) . .
C4 N1 B1 125.7(5) . .
C9 N2 C6 108.7(5) . .
C9 N2 B1 125.1(5) . .
C6 N2 B1 126.2(5) . .
C20 N3 Ag1 178.6(8) . .
C29 N4 Ag1 176.5(8) . 3_677
N4 Ag1 N3 151.0(3) 3_677 .
N4 Ag1 Cl2 118.9(3) 3_677 .
N3 Ag1 Cl2 83.70(19) . .
F5 B2 F6 96.1(18) . .
F5 B2 F3 122.7(19) . .
F6 B2 F3 136(2) . .
F5 B2 F4 99(2) . .
F6 B2 F4 97(2) . .
F3 B2 F4 96.6(19) . .
F6B B2B F5B 119(2) . .
F6B B2B F3 119(3) . .
F5B B2B F3 117(2) . .
F6B B2B F4B 97(2) . .
F5B B2B F4B 98(2) . .
F3 B2B F4B 99(2) . .
Cl2 C39 Cl3 113.9(7) . .
Cl2 C39 Cl1 109.4(9) . .
Cl3 C39 Cl1 108.1(7) . .
Cl2 C39 H39 108.4 . .
Cl3 C39 H39 108.4 . .
Cl1 C39 H39 108.4 . .
C39 Cl2 Ag1 121.7(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.363(7) .
C1 C2 1.400(9) .
C1 C12 1.450(8) .
C2 C3 1.367(9) .
C2 H2 0.9300 .
C3 C4 1.440(8) .
C3 C10 1.487(9) .
C4 C5 1.392(8) .
C4 N1 1.393(8) .
C5 C6 1.397(8) .
C5 C30 1.482(7) .
C6 N2 1.398(7) .
C6 C7 1.429(8) .
C7 C8 1.380(8) .
C7 C11 1.492(8) .
C8 C9 1.408(8) .
C8 H8 0.9300 .
C9 N2 1.356(7) .
C9 C21 1.437(8) .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 C13 1.338(9) .
C12 H12 0.9300 .
C13 C14 1.455(9) .
C13 H13 0.9300 .
C14 C19 1.392(10) .
C14 C15 1.406(9) .
C15 C16 1.375(10) .
C15 H15 0.9300 .
C16 C17 1.380(11) .
C16 H16 0.9300 .
C17 C18 1.401(10) .
C17 C20 1.434(10) .
C18 C19 1.372(10) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C20 N3 1.137(10) .
C21 C22 1.341(8) .
C21 H21 0.9300 .
C22 C23 1.451(8) .
C22 H22 0.9300 .
C23 C24 1.389(9) .
C23 C28 1.415(8) .
C24 C25 1.372(9) .
C24 H24 0.9300 .
C25 C26 1.383(10) .
C25 H25 0.9300 .
C26 C27 1.377(10) .
C26 C29 1.445(9) .
C27 C28 1.377(9) .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 N4 1.115(9) .
C30 C35 1.396(9) .
C30 C31 1.402(8) .
C31 C32 1.403(10) .
C31 C36 1.494(12) .
C32 C33 1.335(13) .
C32 H32 0.9300 .
C33 C34 1.384(12) .
C33 C37 1.514(11) .
C34 C35 1.376(9) .
C34 H34 0.9300 .
C35 C38 1.515(11) .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
C37 H37A 0.9600 .
C37 H37B 0.9600 .
C37 H37C 0.9600 .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
B1 F1 1.376(8) .
B1 F2 1.386(8) .
B1 N2 1.542(8) .
B1 N1 1.547(8) .
N3 Ag1 2.130(7) .
N4 Ag1 2.111(6) 3_677
Ag1 Cl2 2.850(3) .
B2 F5 1.353(10) .
B2 F6 1.356(10) .
B2 F3 1.361(10) .
B2 F4 1.363(10) .
B2B F6B 1.27(3) .
B2B F5B 1.29(3) .
B2B F3 1.29(3) .
B2B F4B 1.55(4) .
C39 Cl2 1.713(15) .
C39 Cl3 1.729(15) .
C39 Cl1 1.809(13) .
C39 H39 0.9800 .
