#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/79/4507985.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_4507985
loop_
_publ_author_name
'Durá Gema'
'Carrión M. Carmen'
'Jalón Félix A.'
'Rodríguez, Ana M.'
'Manzano, Blanca R.'
_publ_section_title
;
 Self-Assembly of Silver(I) and Ditopic Heteroscorpionate Ligands.
 Spontaneous Chiral Resolution in Helices and Sequence Isomerism in
 Coordination Polymers
;
_journal_issue                   8
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3275
_journal_paper_doi               10.1021/cg400636a
_journal_volume                  13
_journal_year                    2013
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C16 H19 Ag N5, B F4, 0.5(C4 H8 O)'
_chemical_formula_sum            'C18 H23 Ag B F4 N5 O0.5'
_chemical_formula_weight         512.09
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 116.311(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.4083(9)
_cell_length_b                   14.0861(10)
_cell_length_c                   14.0815(8)
_cell_measurement_reflns_used    694
_cell_measurement_temperature    260(2)
_cell_measurement_theta_max      16.812
_cell_measurement_theta_min      2.267
_cell_volume                     2384.1(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      260(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega and phi scans'
_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  0.0652
_diffrn_reflns_av_sigmaI/netI    0.1339
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11412
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    0.891
_exptl_absorpt_correction_T_max  0.9007
_exptl_absorpt_correction_T_min  0.8214
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1032
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.761
_refine_diff_density_min         -0.600
_refine_diff_density_rms         0.122
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.06(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     483
_refine_ls_number_reflns         8070
_refine_ls_number_restraints     64
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.1410
_refine_ls_R_factor_gt           0.0876
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1218P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2084
_refine_ls_wR_factor_ref         0.2508
_reflns_number_gt                4780
_reflns_number_total             8070
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg400636a_si_001.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      P21
_cod_original_formula_sum        'C18 H23 Ag B F4 N5 O0.50'
_cod_database_code               4507985
loop_
_symmetry_equiv_pos_as_xyz
'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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.66845(8) 0.31754(9) 0.70321(8) 0.0577(3) Uani 1 1 d . . .
Ag2 Ag 1.11964(11) 0.60884(11) 0.80591(11) 0.0814(5) Uani 1 1 d . . .
N1 N 0.6476(9) 0.4427(8) 0.7915(9) 0.049(3) Uani 1 1 d . . .
N2 N 0.5670(9) 0.4514(8) 0.8227(8) 0.047(3) Uani 1 1 d . . .
N3 N 0.4905(10) 0.2695(9) 0.6859(10) 0.062(3) Uani 1 1 d . . .
N4 N 0.4444(8) 0.3208(10) 0.7385(8) 0.052(3) Uani 1 1 d . . .
N5 N 0.7516(10) 0.1940(11) 1.0818(9) 0.061(4) Uani 1 1 d . . .
N7 N 0.6202(9) 0.3759(9) 0.5270(9) 0.056(3) Uani 1 1 d . . .
N8 N 0.6621(8) 0.3277(11) 0.4684(9) 0.059(3) Uani 1 1 d . . .
N9 N 0.7578(9) 0.2043(8) 0.6628(9) 0.051(3) Uani 1 1 d . . .
N10 N 0.7817(9) 0.2022(10) 0.5792(9) 0.056(3) Uani 1 1 d . . .
N11 N 1.0061(10) 0.5057(10) 0.7051(11) 0.064(3) Uani 1 1 d . . .
C1 C 0.5586(14) 0.5438(12) 0.8506(12) 0.064(4) Uani 1 1 d . . .
C2 C 0.6318(14) 0.5910(12) 0.8326(14) 0.074(5) Uani 1 1 d . . .
H2 H 0.6447 0.6559 0.8425 0.088 Uiso 1 1 calc R . .
C3 C 0.6875(12) 0.5289(13) 0.7961(13) 0.063(4) Uani 1 1 d . . .
C4 C 0.4791(16) 0.5722(13) 0.8902(15) 0.086(6) Uani 1 1 d . . .
H4A H 0.4926 0.6370 0.9136 0.129 Uiso 1 1 calc R . .
H4B H 0.4878 0.5321 0.9485 0.129 Uiso 1 1 calc R . .
H4C H 0.4048 0.5661 0.8347 0.129 Uiso 1 1 calc R . .
C5 C 0.7803(18) 0.5490(15) 0.7639(18) 0.092(7) Uani 1 1 d . . .
H5A H 0.8022 0.4908 0.7430 0.138 Uiso 1 1 calc R . .
H5B H 0.8430 0.5760 0.8229 0.138 Uiso 1 1 calc R . .
H5C H 0.7539 0.5928 0.7057 0.138 Uiso 1 1 calc R . .
C6 C 0.3285(11) 0.3270(17) 0.6777(12) 0.076(5) Uani 1 1 d . . .
C7 C 0.3047(14) 0.2749(15) 0.5870(12) 0.077(5) Uani 1 1 d . . .
H7 H 0.2349 0.2650 0.5309 0.093 Uiso 1 1 calc R . .
C8 C 0.4066(14) 0.2397(13) 0.5962(13) 0.070(4) Uani 1 1 d . . .
C9 C 0.2555(14) 0.3771(17) 0.7177(16) 0.095(7) Uani 1 1 d . . .
H9A H 0.2592 0.4443 0.7086 0.143 Uiso 1 1 calc R . .
H9B H 0.2807 0.3630 0.7914 0.143 Uiso 1 1 calc R . .
H9C H 0.1801 0.3558 0.6785 0.143 Uiso 1 1 calc R . .
C10 C 0.4297(19) 0.1802(15) 0.5208(16) 0.098(7) Uani 1 1 d . . .
H10A H 0.5079 0.1669 0.5503 0.147 Uiso 1 1 calc R . .
H10B H 0.4068 0.2136 0.4550 0.147 Uiso 1 1 calc R . .
H10C H 0.3891 0.1216 0.5084 0.147 Uiso 1 1 calc R . .
C11 C 0.5127(11) 0.3699(11) 0.8384(10) 0.054(4) Uani 1 1 d . . .
H11 H 0.4620 0.3927 0.8664 0.065 Uiso 1 1 calc R . .
C12 C 0.5953(10) 0.3046(12) 0.9212(11) 0.052(4) Uani 1 1 d . . .
C13 C 0.6783(13) 0.3438(14) 1.0103(13) 0.074(5) Uani 1 1 d . . .
H13 H 0.6854 0.4094 1.0174 0.089 Uiso 1 1 calc R . .
C14 C 0.7493(17) 0.2869(12) 1.0876(16) 0.087(6) Uani 1 1 d . . .
H14 H 0.8005 0.3156 1.1496 0.104 Uiso 1 1 calc R . .
C15 C 0.6721(14) 0.1532(13) 0.9959(13) 0.067(4) Uani 1 1 d . . .
H15 H 0.6711 0.0875 0.9893 0.081 Uiso 1 1 calc R . .
C16 C 0.5895(11) 0.2078(12) 0.9149(12) 0.059(4) Uani 1 1 d . . .
H16 H 0.5319 0.1781 0.8580 0.071 Uiso 1 1 calc R . .
C17 C 0.5899(12) 0.3289(16) 0.3614(11) 0.076(5) Uani 1 1 d . . .
C18 C 0.4965(15) 0.3790(14) 0.3560(13) 0.077(5) Uani 1 1 d . . .
H18 H 0.4325 0.3930 0.2945 0.093 Uiso 1 1 calc R . .
C19 C 0.5167(13) 0.4041(13) 0.4593(14) 0.075(5) Uani 1 1 d . . .
C20 C 0.615(2) 0.2779(19) 0.2822(13) 0.123(10) Uani 1 1 d . . .
H20A H 0.6893 0.2532 0.3160 0.185 Uiso 1 1 calc R . .
H20B H 0.6082 0.3210 0.2268 0.185 Uiso 1 1 calc R . .
H20C H 0.5632 0.2265 0.2525 0.185 Uiso 1 1 calc R . .
C21 C 0.4453(16) 0.4541(16) 0.4985(19) 0.098(7) Uani 1 1 d . . .
H21A H 0.4837 0.4593 0.5742 0.147 Uiso 1 1 calc R . .
H21B H 0.3776 0.4190 0.4788 0.147 Uiso 1 1 calc R . .
H21C H 0.4282 0.5164 0.4678 0.147 Uiso 1 1 calc R . .
C22 C 0.8218(11) 0.1198(11) 0.5677(12) 0.056(4) Uani 1 1 d . . .
C23 C 0.8251(13) 0.0617(11) 0.6450(15) 0.069(4) Uani 1 1 d . . .
H23 H 0.8488 -0.0012 0.6570 0.082 Uiso 1 1 calc R . .
C24 C 0.7849(11) 0.1173(12) 0.7032(12) 0.058(4) Uani 1 1 d . . .
C25 C 0.8602(18) 0.0946(16) 0.4847(17) 0.097(6) Uani 1 1 d . . .
H25A H 0.8475 0.1475 0.4377 0.146 Uiso 1 1 calc R . .
H25B H 0.8193 0.0406 0.4450 0.146 Uiso 1 1 calc R . .
H25C H 0.9381 0.0798 0.5187 0.146 Uiso 1 1 calc R . .
C26 C 0.7632(19) 0.0919(15) 0.7973(17) 0.096(7) Uani 1 1 d . . .
H26A H 0.7357 0.1467 0.8188 0.144 Uiso 1 1 calc R . .
H26B H 0.8312 0.0710 0.8550 0.144 Uiso 1 1 calc R . .
H26C H 0.7090 0.0419 0.7776 0.144 Uiso 1 1 calc R . .
C27 C 0.7770(10) 0.2914(10) 0.5224(10) 0.050(4) Uani 1 1 d . . .
H27 H 0.7990 0.2754 0.4666 0.060 Uiso 1 1 calc R . .
C28 C 0.8571(11) 0.3651(11) 0.5900(10) 0.050(3) Uani 1 1 d . . .
C29 C 0.8521(12) 0.4586(11) 0.5532(11) 0.054(4) Uani 1 1 d . . .
H29 H 0.7973 0.4741 0.4861 0.065 Uiso 1 1 calc R . .
C30 C 0.9223(12) 0.5250(11) 0.6105(12) 0.054(4) Uani 1 1 d . . .
H30 H 0.9132 0.5867 0.5844 0.065 Uiso 1 1 calc R . .
C31 C 1.0134(11) 0.4165(13) 0.7388(12) 0.057(4) Uani 1 1 d . . .
H31 H 1.0721 0.4025 0.8043 0.069 Uiso 1 1 calc R . .
C32 C 0.9440(10) 0.3443(12) 0.6876(10) 0.056(4) Uani 1 1 d . . .
H32 H 0.9542 0.2836 0.7164 0.067 Uiso 1 1 calc R . .
B1 B 0.3308(13) 0.3793(12) 0.0239(12) 0.092(7) Uiso 1 1 d D . .
F1 F 0.2384(14) 0.4261(14) -0.0399(14) 0.099(7) Uiso 0.60 1 d PDU A 1
F2 F 0.3124(12) 0.3228(14) 0.0939(11) 0.087(4) Uiso 0.60 1 d PD A 1
F3 F 0.3872(15) 0.3341(14) -0.0185(14) 0.103(6) Uiso 0.60 1 d PD A 1
F4 F 0.4028(17) 0.4493(14) 0.0955(16) 0.134(8) Uiso 0.60 1 d PD A 1
F1A F 0.266(2) 0.435(2) -0.0638(19) 0.099(10) Uiso 0.40 1 d PDU A 2
F2A F 0.329(3) 0.409(3) 0.112(2) 0.190(19) Uiso 0.40 1 d PD A 2
F3A F 0.283(4) 0.290(2) -0.003(4) 0.37(5) Uiso 0.40 1 d PD A 2
F4A F 0.432(2) 0.377(3) 0.026(3) 0.157(15) Uiso 0.40 1 d PD A 2
B2 B 1.0125(11) 0.8151(12) 0.6061(11) 0.086(6) Uiso 1 1 d D . .
F5 F 0.952(2) 0.7562(16) 0.6419(17) 0.105(8) Uiso 0.50 1 d PDU B 1
F6 F 1.1183(13) 0.7959(18) 0.6578(16) 0.109(8) Uiso 0.50 1 d PDU B 1
F7 F 0.9658(19) 0.8980(14) 0.586(2) 0.125(9) Uiso 0.50 1 d PD B 1
F8 F 0.9788(17) 0.7725(18) 0.5025(13) 0.104(7) Uiso 0.50 1 d PD B 1
F5A F 0.997(2) 0.887(2) 0.670(2) 0.157(12) Uiso 0.50 1 d PD B 2
F6A F 0.994(2) 0.7357(18) 0.642(2) 0.173(15) Uiso 0.50 1 d PDU B 2
F7A F 0.962(2) 0.841(3) 0.5086(16) 0.164(13) Uiso 0.50 1 d PD B 2
F8A F 1.1287(9) 0.8323(10) 0.6408(11) 0.117(9) Uiso 0.50 1 d PDU B 2
O1 O 1.0114(9) 0.2143(10) 1.1020(11) 0.124(9) Uiso 0.50 1 d PRDU . .
C41 C 0.9942(9) 0.2096(10) 1.0187(11) 0.114(11) Uiso 0.50 1 d PRDU . .
H41A H 0.9367 0.1623 0.9846 0.137 Uiso 0.50 1 calc PR . .
H41B H 1.0609 0.1872 1.0151 0.137 Uiso 0.50 1 calc PR . .
C42 C 0.9588(9) 0.2984(10) 0.9584(11) 0.104(10) Uiso 0.50 1 d PRDU . .
H42A H 0.9889 0.3050 0.9076 0.125 Uiso 0.50 1 calc PR . .
H42B H 0.8784 0.3042 0.9225 0.125 Uiso 0.50 1 calc PR . .
C43 C 1.0086(9) 0.3652(10) 1.0454(11) 0.117(11) Uiso 0.50 1 d PRDU . .
H43A H 0.9523 0.4016 1.0550 0.141 Uiso 0.50 1 calc PR . .
H43B H 1.0590 0.4083 1.0345 0.141 Uiso 0.50 1 calc PR . .
C44 C 1.0684(9) 0.3020(10) 1.1351(11) 0.114(11) Uiso 0.50 1 d PRDU . .
H44A H 1.1457 0.2957 1.1490 0.137 Uiso 0.50 1 calc PR . .
H44B H 1.0651 0.3252 1.1985 0.137 Uiso 0.50 1 calc PR . .
O2 O 0.2759(9) 0.0543(10) 0.8631(11) 0.155(12) Uiso 0.50 1 d PRDU . .
C51 C 0.1688(9) 0.1073(10) 0.8183(11) 0.157(14) Uiso 0.50 1 d PRDU . .
H51A H 0.1133 0.0745 0.8326 0.188 Uiso 0.50 1 calc PR . .
H51B H 0.1787 0.1709 0.8475 0.188 Uiso 0.50 1 calc PR . .
C52 C 0.1416(9) 0.1095(10) 0.7216(11) 0.152(15) Uiso 0.50 1 d PRDU . .
H52A H 0.0744 0.0724 0.6845 0.183 Uiso 0.50 1 calc PR . .
H52B H 0.1251 0.1745 0.6968 0.183 Uiso 0.50 1 calc PR . .
C53 C 0.2149(9) 0.0782(10) 0.6996(11) 0.159(15) Uiso 0.50 1 d PRDU . .
H53A H 0.2386 0.1280 0.6665 0.190 Uiso 0.50 1 calc PR . .
H53B H 0.1846 0.0268 0.6490 0.190 Uiso 0.50 1 calc PR . .
C54 C 0.2967(9) 0.0488(10) 0.7795(11) 0.148(15) Uiso 0.50 1 d PRDU . .
H54A H 0.3616 0.0868 0.7916 0.177 Uiso 0.50 1 calc PR . .
H54B H 0.3122 -0.0165 0.7687 0.177 Uiso 0.50 1 calc PR . .
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'
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'
B B 0.0013 0.0007 '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'
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
N9 Ag1 N1 157.2(4) . .
N9 Ag1 N3 113.6(4) . .
N1 Ag1 N3 85.1(4) . .
N9 Ag1 N7 84.8(4) . .
N1 Ag1 N7 105.0(4) . .
N3 Ag1 N7 101.0(4) . .
N5 Ag2 N11 171.3(6) 2_757 .
C3 N1 N2 105.6(11) . .
C3 N1 Ag1 127.1(10) . .
N2 N1 Ag1 124.7(9) . .
N1 N2 C1 111.0(12) . .
N1 N2 C11 121.2(11) . .
C1 N2 C11 127.2(12) . .
C8 N3 N4 106.7(12) . .
C8 N3 Ag1 124.9(11) . .
N4 N3 Ag1 117.9(9) . .
N3 N4 C6 110.3(13) . .
N3 N4 C11 122.0(10) . .
C6 N4 C11 127.3(14) . .
C14 N5 C15 117.0(14) . .
C14 N5 Ag2 123.5(12) . 2_747
C15 N5 Ag2 119.3(12) . 2_747
C19 N7 N8 106.7(12) . .
C19 N7 Ag1 123.4(11) . .
N8 N7 Ag1 117.2(8) . .
N7 N8 C17 112.1(12) . .
N7 N8 C27 118.4(10) . .
C17 N8 C27 129.2(13) . .
C24 N9 N10 103.2(12) . .
C24 N9 Ag1 128.9(10) . .
N10 N9 Ag1 127.2(9) . .
C22 N10 N9 113.2(13) . .
C22 N10 C27 127.2(13) . .
N9 N10 C27 118.9(12) . .
C31 N11 C30 116.4(13) . .
C31 N11 Ag2 119.3(11) . .
C30 N11 Ag2 124.2(11) . .
C2 C1 N2 105.4(13) . .
C2 C1 C4 132.5(17) . .
N2 C1 C4 122.2(17) . .
C1 C2 C3 109.0(16) . .
N1 C3 C2 109.0(14) . .
N1 C3 C5 121.5(14) . .
C2 C3 C5 129.5(17) . .
C7 C6 N4 105.6(17) . .
C7 C6 C9 132.3(15) . .
N4 C6 C9 121.9(16) . .
C6 C7 C8 106.6(14) . .
N3 C8 C7 110.7(15) . .
N3 C8 C10 119.9(15) . .
C7 C8 C10 129.4(16) . .
N2 C11 N4 112.0(11) . .
N2 C11 C12 111.0(11) . .
N4 C11 C12 112.7(13) . .
C16 C12 C13 117.4(14) . .
C16 C12 C11 123.7(14) . .
C13 C12 C11 118.7(16) . .
C14 C13 C12 119.7(19) . .
N5 C14 C13 124.8(19) . .
N5 C15 C16 121.4(16) . .
C12 C16 C15 119.2(15) . .
N8 C17 C18 103.9(14) . .
N8 C17 C20 122.1(17) . .
C18 C17 C20 133.8(15) . .
C19 C18 C17 108.1(14) . .
N7 C19 C18 109.0(17) . .
N7 C19 C21 120.6(17) . .
C18 C19 C21 130.4(16) . .
N10 C22 C23 107.8(14) . .
N10 C22 C25 126.7(16) . .
C23 C22 C25 125.5(15) . .
C22 C23 C24 104.4(14) . .
N9 C24 C23 111.5(14) . .
N9 C24 C26 117.9(15) . .
C23 C24 C26 130.5(16) . .
N8 C27 N10 111.0(10) . .
N8 C27 C28 112.3(12) . .
N10 C27 C28 113.6(10) . .
C32 C28 C29 116.5(13) . .
C32 C28 C27 122.5(14) . .
C29 C28 C27 120.9(12) . .
C30 C29 C28 122.4(14) . .
C29 C30 N11 121.4(15) . .
N11 C31 C32 126.5(14) . .
C31 C32 C28 116.7(15) . .
F3 B1 F2A 146.3(19) . .
F3 B1 F1 118.7(14) . .
F2A B1 F1 94.5(19) . .
F3 B1 F4A 38.8(18) . .
F2A B1 F4A 115.1(17) . .
F1 B1 F4A 130.6(18) . .
F3 B1 F2 111.7(14) . .
F2A B1 F2 55(2) . .
F1 B1 F2 111.1(13) . .
F4A B1 F2 118.2(19) . .
F3 B1 F3A 74(2) . .
F2A B1 F3A 110.4(17) . .
F1 B1 F3A 95(2) . .
F4A B1 F3A 109.0(17) . .
F2 B1 F3A 57(2) . .
F3 B1 F1A 97.4(17) . .
F2A B1 F1A 112.9(16) . .
F1 B1 F1A 25.9(14) . .
F4A B1 F1A 104.9(15) . .
F2 B1 F1A 136.4(18) . .
F3A B1 F1A 103.9(16) . .
F3 B1 F4 107.9(13) . .
F2A B1 F4 53(2) . .
F1 B1 F4 105.5(14) . .
F4A B1 F4 69.1(19) . .
F2 B1 F4 100.0(12) . .
F3A B1 F4 154(2) . .
F1A B1 F4 101.1(18) . .
F7A B2 F6A 123.8(17) . .
F7A B2 F7 62.7(15) . .
F6A B2 F7 135.1(19) . .
F7A B2 F6 125.6(18) . .
F6A B2 F6 87.1(18) . .
F7 B2 F6 127.6(17) . .
F7A B2 F5 115.9(18) . .
F6A B2 F5 26.8(17) . .
F7 B2 F5 108.3(14) . .
F6 B2 F5 109.5(15) . .
F7A B2 F8A 107.2(14) . .
F6A B2 F8A 112.2(15) . .
F7 B2 F8A 105.6(15) . .
F6 B2 F8A 25.1(13) . .
F5 B2 F8A 133.7(15) . .
F7A B2 F5A 108.7(15) . .
F6A B2 F5A 105.1(15) . .
F7 B2 F5A 46.2(14) . .
F6 B2 F5A 102.9(16) . .
F5 B2 F5A 85.6(17) . .
F8A B2 F5A 96.2(12) . .
F7A B2 F8 42.2(15) . .
F6A B2 F8 90.3(18) . .
F7 B2 F8 104.4(13) . .
F6 B2 F8 104.6(13) . .
F5 B2 F8 98.3(13) . .
F8A B2 F8 102.7(13) . .
F5A B2 F8 149.0(16) . .
C41 O1 C44 103.4 . .
O1 C41 C42 115.5 . .
O1 C41 C44 44.2 . .
C42 C41 C44 80.4 . .
C43 C42 C41 98.9 . .
C42 C43 C44 101.8 . .
O1 C44 C43 103.8 . .
O1 C44 C41 32.4 . .
C43 C44 C41 78.7 . .
C54 O2 C51 101.3 . .
C52 C51 O2 103.7 . .
C53 C52 C51 112.7 . .
C52 C53 C54 111.9 . .
C53 C54 O2 109.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N9 2.216(12) .
Ag1 N1 2.246(11) .
Ag1 N3 2.386(13) .
Ag1 N7 2.414(11) .
Ag2 N5 2.122(11) 2_757
Ag2 N11 2.128(13) .
N1 C3 1.32(2) .
N1 N2 1.341(15) .
N2 C1 1.38(2) .
N2 C11 1.427(19) .
N3 C8 1.333(19) .
N3 N4 1.363(17) .
N4 C6 1.405(17) .
N4 C11 1.468(19) .
N5 C14 1.31(2) .
N5 C15 1.34(2) .
N5 Ag2 2.122(11) 2_747
N7 C19 1.349(18) .
N7 N8 1.367(17) .
N8 C17 1.383(17) .
N8 C27 1.475(17) .
N9 C24 1.33(2) .
N9 N10 1.350(15) .
N10 C22 1.318(19) .
N10 C27 1.476(19) .
N11 C31 1.33(2) .
N11 C30 1.336(18) .
C1 C2 1.30(2) .
C1 C4 1.46(2) .
C2 C3 1.39(2) .
C3 C5 1.53(2) .
C6 C7 1.38(3) .
C6 C9 1.50(3) .
C7 C8 1.40(2) .
C8 C10 1.49(3) .
C11 C12 1.513(18) .
C12 C16 1.37(2) .
C12 C13 1.37(2) .
C13 C14 1.35(2) .
C15 C16 1.41(2) .
C17 C18 1.41(3) .
C17 C20 1.48(3) .
C18 C19 1.40(2) .
C19 C21 1.48(3) .
C22 C23 1.35(2) .
C22 C25 1.51(2) .
C23 C24 1.40(2) .
C24 C26 1.52(2) .
C27 C28 1.494(18) .
C28 C32 1.383(18) .
C28 C29 1.41(2) .
C29 C30 1.32(2) .
C31 C32 1.35(2) .
B1 F3 1.317(16) .
B1 F2A 1.319(18) .
B1 F1 1.338(17) .
B1 F4A 1.346(18) .
B1 F2 1.371(16) .
B1 F3A 1.387(19) .
B1 F1A 1.398(18) .
B1 F4 1.435(17) .
B2 F7A 1.282(17) .
B2 F6A 1.293(17) .
B2 F7 1.295(17) .
B2 F6 1.304(17) .
B2 F5 1.397(17) .
B2 F8A 1.432(15) .
B2 F5A 1.437(18) .
B2 F8 1.451(17) .
O1 C41 1.0923 .
O1 C44 1.4184 .
C41 C42 1.4676 .
C41 C44 1.9808 .
C42 C43 1.4515 .
C43 C44 1.4604 .
O2 C54 1.3275 .
O2 C51 1.4875 .
C51 C52 1.2451 .
C52 C53 1.2350 .
C53 C54 1.2440 .
