#------------------------------------------------------------------------------
#$Date: 2019-10-15 02:57:51 +0200 (mar 15 de oct de 2019) $
#$Revision: 219347 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/13/7701371.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_7701371
loop_
_publ_author_name
'Gupta, Arvind Kumar Kumar'
'Orthaber, Andreas'
_publ_section_title
;
 Facile synthesis of silver alkynide cluster and coordination polymers
 using picolinic acid as co-ligand
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/C9DT03697K
_journal_year                    2019
_chemical_formula_moiety         '0.5(C76 H68 Ag18 F12 N8 O28 S4)'
_chemical_formula_sum            'C38 H34 Ag9 F6 N4 O14 S2'
_chemical_formula_weight         1919.64
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2019-10-06
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-10-10 deposited with the CCDC.    2019-10-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 129.995(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.973(8)
_cell_length_b                   19.990(9)
_cell_length_c                   15.639(5)
_cell_measurement_reflns_used    3092
_cell_measurement_temperature    150
_cell_measurement_theta_max      21.90
_cell_measurement_theta_min      2.32
_cell_volume                     5502(4)
_computing_cell_refinement       'Bruker APEX2'
_computing_data_collection       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150.0
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.982
_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  0.1260
_diffrn_reflns_av_unetI/netI     0.0901
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            52482
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.576
_diffrn_reflns_theta_min         1.542
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.286
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6271
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1584 before and 0.0716 after correction.
The Ratio of minimum to maximum transmission is 0.8410.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_colour            'metallic light colourless'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.317
_exptl_crystal_description       needle
_exptl_crystal_F_000             3644
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.816
_refine_diff_density_min         -1.310
_refine_diff_density_rms         0.211
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     333
_refine_ls_number_reflns         6900
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0884
_refine_ls_R_factor_gt           0.0462
_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)+(0.0338P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0916
_refine_ls_wR_factor_ref         0.1043
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4397
_reflns_number_total             6900
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt03697k2.cif
_cod_data_source_block           ag_ag_498_0m_a
_cod_database_code               7701371
_shelx_shelxl_version_number     2018/3
_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_max   0.827
_shelx_estimated_absorpt_t_min   0.384
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C00V(H00V), C00W(H00W), C00X(H00X), C00Z(H00Z), C010(H010), C011(H011),
 C012(H012), C015(H015)
2.b Idealised Me refined as rotating group:
 C00Q(H00A,H00B,H00C), C00Y(H00D,H00E,H00F), C014(H01A,H01B,H01C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
Ag01 Ag 0.47138(3) 0.48763(2) 0.35672(4) 0.02240(12) Uani 1 1 d . . .
Ag02 Ag 0.500000 0.59524(3) 0.250000 0.02220(17) Uani 1 2 d S T P
Ag03 Ag 0.60800(3) 0.48270(2) 0.37556(4) 0.02867(14) Uani 1 1 d . . .
Ag04 Ag 0.66809(3) 0.47748(3) 0.68500(5) 0.03318(15) Uani 1 1 d . . .
Ag05 Ag 0.57079(3) 0.35625(2) 0.64634(5) 0.03233(15) Uani 1 1 d . . .
S006 S 0.77562(10) 0.41448(9) 0.62319(15) 0.0326(4) Uani 1 1 d . . .
O5 O 0.5280(3) 0.3985(2) 0.4568(4) 0.0259(10) Uani 1 1 d . . .
O4 O 0.7361(3) 0.4031(2) 0.6665(4) 0.0393(13) Uani 1 1 d . . .
O6 O 0.5809(3) 0.3764(2) 0.3793(4) 0.0344(12) Uani 1 1 d . . .
O3 O 0.7412(3) 0.4646(2) 0.5382(4) 0.0378(13) Uani 1 1 d . . .
O2 O 0.5664(3) 0.6355(2) 0.4335(4) 0.0295(11) Uani 1 1 d . . .
F00D F 0.9077(3) 0.4685(3) 0.7127(4) 0.0670(15) Uani 1 1 d . . .
O1 O 0.6028(3) 0.5353(2) 0.5141(4) 0.0283(11) Uani 1 1 d . . .
C1 C 0.3892(4) 0.5564(3) 0.2323(5) 0.0198(14) Uani 1 1 d . . .
C2 C 0.6397(4) 0.6318(3) 0.6295(5) 0.0257(15) Uani 1 1 d . . .
F00H F 0.9041(3) 0.4136(3) 0.8280(4) 0.0733(17) Uani 1 1 d . . .
N1 N 0.5760(3) 0.2744(3) 0.5564(5) 0.0318(14) Uani 1 1 d . . .
O00K O 0.7987(3) 0.3553(2) 0.6024(4) 0.0435(14) Uani 1 1 d . . .
N00L N 0.6784(3) 0.5925(3) 0.7181(5) 0.0325(14) Uani 1 1 d . . .
F00M F 0.8519(3) 0.5100(3) 0.7693(4) 0.0705(16) Uani 1 1 d . . .
C00N C 0.6007(4) 0.5984(3) 0.5176(6) 0.0289(16) Uani 1 1 d . . .
C00O C 0.3297(4) 0.5876(3) 0.1714(5) 0.0257(15) Uani 1 1 d . . .
C00P C 0.5596(4) 0.3602(3) 0.4317(5) 0.0247(15) Uani 1 1 d . . .
C00Q C 0.1906(4) 0.5764(4) 0.0462(6) 0.047(2) Uani 1 1 d . . .
H00A H 0.194147 0.535431 0.015404 0.071 Uiso 1 1 calc GR . .
H00B H 0.142305 0.598897 -0.011480 0.071 Uiso 1 1 calc GR . .
H00C H 0.193207 0.565109 0.109549 0.071 Uiso 1 1 calc GR . .
C00S C 0.5721(4) 0.2880(3) 0.4690(6) 0.0278(16) Uani 1 1 d . . .
C00T C 0.2564(4) 0.6230(4) 0.0854(6) 0.0365(19) Uani 1 1 d . . .
C00V C 0.7094(4) 0.6213(4) 0.8166(6) 0.042(2) Uani 1 1 d . . .
H00V H 0.736425 0.593699 0.881071 0.050 Uiso 1 1 calc R . .
C00W C 0.6644(5) 0.7273(4) 0.7361(7) 0.046(2) Uani 1 1 d . . .
H00W H 0.659174 0.773766 0.742198 0.055 Uiso 1 1 calc R . .
C00X C 0.5784(4) 0.2392(3) 0.4141(6) 0.0342(17) Uani 1 1 d . . .
H00X H 0.577982 0.250625 0.354712 0.041 Uiso 1 1 calc R . .
C00Y C 0.2542(5) 0.6391(4) -0.0132(6) 0.045(2) Uani 1 1 d . . .
H00D H 0.299114 0.665299 0.013681 0.067 Uiso 1 1 calc GR . .
H00E H 0.208214 0.664818 -0.069546 0.067 Uiso 1 1 calc GR . .
H00F H 0.253711 0.597248 -0.046346 0.067 Uiso 1 1 calc GR . .
C00Z C 0.5843(5) 0.2103(3) 0.5873(7) 0.040(2) Uani 1 1 d . . .
H00Z H 0.587123 0.199913 0.649133 0.048 Uiso 1 1 calc R . .
C010 C 0.6317(4) 0.6993(3) 0.6335(6) 0.0339(18) Uani 1 1 d . . .
H010 H 0.604565 0.725893 0.567918 0.041 Uiso 1 1 calc R . .
C011 C 0.7045(5) 0.6873(4) 0.8291(7) 0.046(2) Uani 1 1 d . . .
H011 H 0.728240 0.705642 0.900787 0.055 Uiso 1 1 calc R . .
C012 C 0.5855(4) 0.1733(3) 0.4455(7) 0.040(2) Uani 1 1 d . . .
H012 H 0.587859 0.138541 0.406476 0.048 Uiso 1 1 calc R . .
C013 C 0.8653(5) 0.4540(5) 0.7394(7) 0.050(2) Uani 1 1 d . . .
C014 C 0.2518(5) 0.6879(4) 0.1321(7) 0.054(3) Uani 1 1 d . . .
H01A H 0.256778 0.677951 0.197891 0.082 Uiso 1 1 calc GR . .
H01B H 0.202661 0.709452 0.075096 0.082 Uiso 1 1 calc GR . .
H01C H 0.292860 0.717918 0.153137 0.082 Uiso 1 1 calc GR . .
C015 C 0.5889(5) 0.1593(3) 0.5339(7) 0.047(2) Uani 1 1 d . . .
H015 H 0.594430 0.114447 0.558172 0.057 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'
Ag Ag -0.8971 1.1015 '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'
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'
S S 0.1246 0.1234 '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
Ag02 Ag01 Ag05 58.79(3) . 5_666
Ag03 Ag01 Ag02 59.258(19) . .
Ag03 Ag01 Ag02 60.58(2) 2_655 .
Ag03 Ag01 Ag03 83.91(3) 2_655 .
Ag03 Ag01 Ag04 90.70(3) 2_655 5_666
Ag03 Ag01 Ag05 108.64(2) . 5_666
Ag03 Ag01 Ag05 94.258(19) 2_655 5_666
Ag04 Ag01 Ag02 107.59(3) 5_666 .
Ag04 Ag01 Ag03 166.75(2) 5_666 .
Ag04 Ag01 Ag05 59.589(18) 5_666 5_666
O5 Ag01 Ag02 137.43(12) . .
O5 Ag01 Ag03 119.38(12) . 2_655
O5 Ag01 Ag03 78.18(12) . .
O5 Ag01 Ag04 114.92(12) . 5_666
O5 Ag01 Ag05 146.35(12) . 5_666
O5 Ag01 O1 79.76(16) . .
O1 Ag01 Ag02 74.12(10) . .
O1 Ag01 Ag03 52.82(11) . .
O1 Ag01 Ag03 129.54(10) . 2_655
O1 Ag01 Ag04 125.09(11) . 5_666
O1 Ag01 Ag05 79.22(10) . 5_666
C1 Ag01 Ag02 54.45(17) . .
C1 Ag01 Ag03 52.21(15) . 2_655
C1 Ag01 Ag03 111.95(17) . .
C1 Ag01 Ag04 55.83(17) . 5_666
C1 Ag01 Ag05 44.48(16) . 5_666
C1 Ag01 O5 163.8(2) . .
C1 Ag01 O1 116.4(2) . .
Ag01 Ag02 Ag01 90.01(4) . 2_655
Ag01 Ag02 Ag05 64.10(3) . 5_666
Ag01 Ag02 Ag05 151.57(2) . 6_565
Ag01 Ag02 Ag05 151.57(2) 2_655 5_666
Ag01 Ag02 Ag05 64.09(3) 2_655 6_565
Ag03 Ag02 Ag01 56.19(3) . 2_655
Ag03 Ag02 Ag01 56.19(3) 2_655 .
Ag03 Ag02 Ag01 58.98(3) 2_655 2_655
Ag03 Ag02 Ag01 58.98(3) . .
Ag03 Ag02 Ag03 81.43(4) . 2_655
Ag03 Ag02 Ag05 112.81(3) 2_655 6_565
Ag03 Ag02 Ag05 94.97(3) . 6_565
Ag03 Ag02 Ag05 112.81(3) . 5_666
Ag03 Ag02 Ag05 94.97(3) 2_655 5_666
Ag05 Ag02 Ag05 143.53(3) 5_666 6_565
O2 Ag02 Ag01 135.11(12) . 2_655
O2 Ag02 Ag01 76.90(11) . .
O2 Ag02 Ag01 135.12(12) 2_655 .
O2 Ag02 Ag01 76.90(11) 2_655 2_655
O2 Ag02 Ag03 80.91(12) . .
O2 Ag02 Ag03 80.91(12) 2_655 2_655
O2 Ag02 Ag03 132.42(11) . 2_655
O2 Ag02 Ag03 132.42(11) 2_655 .
O2 Ag02 Ag05 53.46(12) . 5_666
O2 Ag02 Ag05 53.45(12) 2_655 6_565
O2 Ag02 Ag05 112.47(11) 2_655 5_666
O2 Ag02 Ag05 112.47(11) . 6_565
O2 Ag02 O2 140.2(2) . 2_655
O2 Ag02 C1 98.87(19) . 2_655
O2 Ag02 C1 93.29(18) . .
O2 Ag02 C1 93.29(18) 2_655 2_655
O2 Ag02 C1 98.87(19) 2_655 .
C1 Ag02 Ag01 106.45(13) . 2_655
C1 Ag02 Ag01 106.45(13) 2_655 .
C1 Ag02 Ag01 43.76(14) . .
C1 Ag02 Ag01 43.75(14) 2_655 2_655
C1 Ag02 Ag03 48.15(13) 2_655 .
C1 Ag02 Ag03 48.15(13) . 2_655
C1 Ag02 Ag03 101.33(14) . .
C1 Ag02 Ag03 101.33(14) 2_655 2_655
C1 Ag02 Ag05 151.45(14) 2_655 5_666
C1 Ag02 Ag05 46.84(13) . 5_666
C1 Ag02 Ag05 46.84(13) 2_655 6_565
C1 Ag02 Ag05 151.45(14) . 6_565
C1 Ag02 C1 143.8(3) 2_655 .
Ag01 Ag03 Ag01 95.96(3) 2_655 .
Ag01 Ag03 Ag02 63.232(18) 2_655 .
Ag01 Ag03 Ag02 61.76(2) . .
O6 Ag03 Ag01 74.79(13) . .
O6 Ag03 Ag01 96.12(12) . 2_655
O6 Ag03 Ag02 127.73(13) . .
O6 Ag03 O3 90.91(17) . .
O6 Ag03 O1 102.16(16) . .
O6 Ag03 C1 141.33(19) . 2_655
O3 Ag03 Ag01 133.19(12) . 2_655
O3 Ag03 Ag01 130.36(12) . .
O3 Ag03 Ag02 139.16(12) . .
O3 Ag03 O1 83.37(16) . .
O1 Ag03 Ag01 55.18(11) . .
O1 Ag03 Ag01 138.87(11) . 2_655
O1 Ag03 Ag02 76.54(11) . .
C1 Ag03 Ag01 47.70(16) 2_655 2_655
C1 Ag03 Ag01 116.04(16) 2_655 .
C1 Ag03 Ag02 55.10(16) 2_655 .
C1 Ag03 O3 104.8(2) 2_655 .
C1 Ag03 O1 114.46(19) 2_655 .
Ag01 Ag04 Ag05 65.78(3) 5_666 .
O4 Ag04 Ag01 149.61(14) . 5_666
O4 Ag04 Ag05 86.17(13) . .
O4 Ag04 O1 99.34(17) . .
O4 Ag04 C1 121.56(18) . 5_666
O4 Ag04 N00L 133.01(19) . .
O4 Ag04 C00O 98.58(18) . 5_666
O1 Ag04 Ag01 79.76(12) . 5_666
O1 Ag04 Ag05 108.05(11) . .
O1 Ag04 C1 124.37(19) . 5_666
O1 Ag04 C00O 151.52(19) . 5_666
C1 Ag04 Ag01 45.64(15) 5_666 5_666
C1 Ag04 Ag05 47.24(13) 5_666 .
C1 Ag04 C00O 28.00(19) 5_666 5_666
N00L Ag04 Ag01 75.77(15) . 5_666
N00L Ag04 Ag05 140.82(15) . .
N00L Ag04 O1 70.67(17) . .
N00L Ag04 C1 99.60(19) . 5_666
N00L Ag04 C00O 111.29(19) . 5_666
C00O Ag04 Ag01 73.61(15) 5_666 5_666
C00O Ag04 Ag05 51.46(15) 5_666 .
Ag02 Ag05 Ag01 57.114(17) 5_666 5_666
Ag04 Ag05 Ag01 54.63(3) . 5_666
Ag04 Ag05 Ag02 102.10(3) . 5_666
O5 Ag05 Ag01 77.31(9) . 5_666
O5 Ag05 Ag02 123.72(10) . 5_666
O5 Ag05 Ag04 70.27(10) . .
O2 Ag05 Ag01 70.59(10) 5_666 5_666
O2 Ag05 Ag02 48.29(10) 5_666 5_666
O2 Ag05 Ag04 124.02(10) 5_666 .
O2 Ag05 O5 88.73(14) 5_666 .
C1 Ag05 Ag01 40.53(16) 5_666 5_666
C1 Ag05 Ag02 52.73(16) 5_666 5_666
C1 Ag05 Ag04 51.99(16) 5_666 .
C1 Ag05 O5 110.74(18) 5_666 .
C1 Ag05 O2 93.90(19) 5_666 5_666
C1 Ag05 C00O 29.1(2) 5_666 5_666
N1 Ag05 Ag01 146.77(14) . 5_666
N1 Ag05 Ag02 145.70(15) . 5_666
N1 Ag05 Ag04 112.17(15) . .
N1 Ag05 O5 69.48(17) . .
N1 Ag05 O2 107.04(19) . 5_666
N1 Ag05 C1 159.0(2) . 5_666
N1 Ag05 C00O 132.4(2) . 5_666
C00O Ag05 Ag01 68.40(14) 5_666 5_666
C00O Ag05 Ag02 70.44(15) 5_666 5_666
C00O Ag05 Ag04 53.58(15) 5_666 .
C00O Ag05 O5 123.73(18) 5_666 .
C00O Ag05 O2 117.89(18) 5_666 5_666
O4 S006 C013 104.2(4) . .
O3 S006 O4 113.8(3) . .
O3 S006 C013 102.6(4) . .
O00K S006 O4 114.4(3) . .
O00K S006 O3 115.9(3) . .
O00K S006 C013 103.9(4) . .
Ag01 O5 Ag05 134.77(19) . .
C00P O5 Ag01 117.8(4) . .
C00P O5 Ag05 106.4(4) . .
S006 O4 Ag04 129.2(3) . .
C00P O6 Ag03 120.3(4) . .
S006 O3 Ag03 130.2(3) . .
Ag02 O2 Ag05 78.26(14) . 5_666
C00N O2 Ag02 123.6(4) . .
C00N O2 Ag05 107.4(4) . 5_666
Ag03 O1 Ag01 72.00(12) . .
Ag04 O1 Ag01 113.91(17) . .
Ag04 O1 Ag03 115.40(18) . .
C00N O1 Ag01 111.1(4) . .
C00N O1 Ag03 119.0(4) . .
C00N O1 Ag04 117.0(4) . .
Ag01 C1 Ag02 81.8(2) . .
Ag01 C1 Ag03 80.1(2) . 2_655
Ag01 C1 Ag04 78.53(19) . 5_666
Ag01 C1 Ag05 95.0(2) . 5_666
Ag03 C1 Ag02 76.76(18) 2_655 .
Ag03 C1 Ag04 119.5(2) 2_655 5_666
Ag03 C1 Ag05 157.1(3) 2_655 5_666
Ag04 C1 Ag02 151.4(3) 5_666 .
Ag05 C1 Ag02 80.43(19) 5_666 .
Ag05 C1 Ag04 80.77(18) 5_666 5_666
C00O C1 Ag01 159.2(6) . .
C00O C1 Ag02 118.5(5) . .
C00O C1 Ag03 107.7(5) . 2_655
C00O C1 Ag04 80.9(4) . 5_666
C00O C1 Ag05 84.7(4) . 5_666
N00L C2 C00N 116.7(6) . .
N00L C2 C010 123.9(6) . .
C010 C2 C00N 119.4(6) . .
C00S N1 Ag05 120.3(4) . .
C00S N1 C00Z 117.6(6) . .
C00Z N1 Ag05 122.1(5) . .
C2 N00L Ag04 116.7(4) . .
C2 N00L C00V 116.9(6) . .
C00V N00L Ag04 125.4(5) . .
O2 C00N O1 124.1(6) . .
O2 C00N C2 117.2(6) . .
O1 C00N C2 118.6(6) . .
Ag05 C00O Ag04 74.95(18) 5_666 5_666
C1 C00O Ag04 71.1(4) . 5_666
C1 C00O Ag05 66.1(4) . 5_666
C1 C00O C00T 173.0(7) . .
C00T C00O Ag04 113.8(5) . 5_666
C00T C00O Ag05 119.4(4) . 5_666
O5 C00P C00S 117.3(6) . .
O6 C00P O5 126.1(6) . .
O6 C00P C00S 116.6(6) . .
N1 C00S C00P 117.3(6) . .
N1 C00S C00X 122.1(6) . .
C00X C00S C00P 120.5(6) . .
C00O C00T C00Q 109.0(6) . .
C00O C00T C00Y 107.0(6) . .
C00O C00T C014 110.9(6) . .
C00Q C00T C00Y 109.7(6) . .
C014 C00T C00Q 110.7(7) . .
C014 C00T C00Y 109.5(6) . .
N00L C00V C011 123.6(7) . .
C011 C00W C010 119.3(7) . .
C00S C00X C012 119.5(7) . .
N1 C00Z C015 122.9(7) . .
C2 C010 C00W 117.7(7) . .
C00V C011 C00W 118.5(7) . .
C015 C012 C00X 118.4(7) . .
F00D C013 S006 111.7(6) . .
F00D C013 F00H 109.1(7) . .
F00D C013 F00M 108.3(8) . .
F00H C013 S006 110.2(7) . .
F00M C013 S006 110.2(6) . .
F00M C013 F00H 107.3(7) . .
C012 C015 C00Z 119.4(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag01 Ag02 3.0424(10) .
Ag01 Ag03 2.8312(13) 2_655
Ag01 Ag03 2.9596(13) .
Ag01 Ag04 2.9138(13) 5_666
Ag01 Ag05 3.2590(15) 5_666
Ag01 O5 2.167(4) .
Ag01 O1 2.555(5) .
Ag01 C1 2.126(6) .
Ag02 Ag03 2.9682(11) 2_655
Ag02 Ag03 2.9682(11) .
Ag02 Ag05 3.0988(9) 5_666
Ag02 Ag05 3.0988(9) 6_565
Ag02 O2 2.362(4) .
Ag02 O2 2.362(4) 2_655
Ag02 C1 2.501(6) .
Ag02 C1 2.501(6) 2_655
Ag03 O6 2.225(5) .
Ag03 O3 2.441(5) .
Ag03 O1 2.479(4) .
Ag03 C1 2.271(6) 2_655
Ag04 Ag05 3.0819(13) .
Ag04 O4 2.306(5) .
Ag04 O1 2.362(4) .
Ag04 C1 2.460(6) 5_666
Ag04 N00L 2.336(6) .
Ag04 C00O 2.568(7) 5_666
Ag05 O5 2.593(4) .
Ag05 O2 2.543(5) 5_666
Ag05 C1 2.292(6) 5_666
Ag05 N1 2.211(5) .
Ag05 C00O 2.496(7) 5_666
S006 O4 1.457(5) .
S006 O3 1.430(5) .
S006 O00K 1.418(5) .
S006 C013 1.832(9) .
O5 C00P 1.278(8) .
O6 C00P 1.239(8) .
O2 C00N 1.253(8) .
F00D C013 1.316(10) .
O1 C00N 1.264(8) .
C1 C00O 1.221(8) .
C2 N00L 1.320(8) .
C2 C00N 1.516(9) .
C2 C010 1.368(9) .
F00H C013 1.333(9) .
N1 C00S 1.337(8) .
N1 C00Z 1.339(8) .
N00L C00V 1.342(9) .
F00M C013 1.324(10) .
C00O C00T 1.494(9) .
C00P C00S 1.513(9) .
C00Q C00T 1.529(11) .
C00S C00X 1.369(9) .
C00T C00Y 1.543(10) .
C00T C014 1.525(10) .
C00V C011 1.349(11) .
C00W C010 1.379(9) .
C00W C011 1.372(11) .
C00X C012 1.378(9) .
C00Z C015 1.364(9) .
C012 C015 1.363(10) .
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.500 -0.092 385.2 193.9 4(CH2Cl2)
2 0.500 0.000 -0.056 385.2 193.9 4(CH2Cl2)
