#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/04/7210406.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_7210406
loop_
_publ_author_name
'Lin, Cai-Xia'
'Kong, Xiao-Fei'
'Li, Qing-Shan'
'Zhang, Zheng-Zhi'
'Yuan, Yao-Feng'
'Xu, Feng-Bo'
_publ_section_title
;
 Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged
 by calixarene fragments: synthesis, structure and chemosensing behavior
;
_journal_issue                   35
_journal_name_full               CrystEngComm
_journal_page_first              6948
_journal_paper_doi               10.1039/c3ce40918j
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C51.5 H48.25 Ag F6 N6.5 O1.75 P'
_chemical_formula_weight         1033.05
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 98.115(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.080(6)
_cell_length_b                   26.639(9)
_cell_length_c                   25.248(8)
_cell_measurement_reflns_used    17788
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      1.5
_cell_volume                     10707(6)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 14.22
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku Saturn724 CCD'
_diffrn_measurement_method       'ω and φ 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  0.0918
_diffrn_reflns_av_sigmaI/netI    0.0787
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            39764
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.49
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.469
_exptl_absorpt_correction_T_max  0.9546
_exptl_absorpt_correction_T_min  0.9120
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrystalClear
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.282
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             4238
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.943
_refine_diff_density_min         -0.713
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     726
_refine_ls_number_reflns         9393
_refine_ls_number_restraints     369
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.1036
_refine_ls_R_factor_gt           0.0906
_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)+(0.1182P)²+38.6993P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2328
_refine_ls_wR_factor_ref         0.2443
_reflns_number_gt                8152
_reflns_number_total             9393
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40918j.txt
_cod_data_source_block           shelx
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        10706(6)
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C51.50 H48.25 Ag F6 N6.50 O1.75 P'
_cod_database_code               7210406
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.51314(3) 0.171721(18) 0.519408(18) 0.04129(19) Uani 1 1 d . . .
O1 O 0.6496(3) 0.31455(18) 0.3843(2) 0.0528(11) Uani 1 1 d . . .
N1 N 1.0372(3) 0.2862(2) 0.37489(19) 0.0436(12) Uani 1 1 d . . .
N2 N 0.9063(3) 0.3047(2) 0.3643(2) 0.0427(12) Uani 1 1 d . . .
N3 N 0.5138(3) 0.17922(19) 0.3972(2) 0.0419(12) Uani 1 1 d . . .
N4 N 0.4778(3) 0.1053(2) 0.41689(19) 0.0426(12) Uani 1 1 d . . .
C1 C 1.1040(4) 0.2059(3) 0.4605(3) 0.0470(15) Uani 1 1 d . . .
C2 C 1.0770(4) 0.1733(3) 0.4153(3) 0.0552(18) Uani 1 1 d . . .
H2 H 1.0756 0.1859 0.3800 0.066 Uiso 1 1 calc R . .
C3 C 1.0538(4) 0.1252(3) 0.4225(3) 0.0584(18) Uani 1 1 d . . .
H3 H 1.0364 0.1047 0.3922 0.070 Uiso 1 1 calc R . .
C4 C 1.0552(4) 0.1049(3) 0.4746(3) 0.0613(19) Uani 1 1 d . . .
H4 H 1.0396 0.0708 0.4787 0.074 Uiso 1 1 calc R . .
C5 C 1.0786(4) 0.1335(3) 0.5187(3) 0.0583(18) Uani 1 1 d . . .
H5 H 1.0780 0.1198 0.5534 0.070 Uiso 1 1 calc R . .
C6 C 1.1043(4) 0.1849(3) 0.5126(3) 0.0488(16) Uani 1 1 d . . .
C7 C 1.1312(4) 0.2141(3) 0.5576(3) 0.0506(16) Uani 1 1 d . . .
H7 H 1.1305 0.2001 0.5921 0.061 Uiso 1 1 calc R . .
C8 C 1.1590(4) 0.2631(3) 0.5532(3) 0.0474(15) Uani 1 1 d . . .
C9 C 1.1867(4) 0.2930(3) 0.5996(3) 0.0535(17) Uani 1 1 d . . .
H9 H 1.1855 0.2789 0.6341 0.064 Uiso 1 1 calc R . .
C10 C 1.2142(4) 0.3403(3) 0.5957(3) 0.0577(19) Uani 1 1 d . . .
H10 H 1.2327 0.3591 0.6271 0.069 Uiso 1 1 calc R . .
C11 C 1.2158(4) 0.3625(3) 0.5441(3) 0.0534(17) Uani 1 1 d . . .
H11 H 1.2353 0.3960 0.5415 0.064 Uiso 1 1 calc R . .
C12 C 1.1893(4) 0.3356(3) 0.4986(3) 0.0506(17) Uani 1 1 d . . .
H12 H 1.1903 0.3511 0.4648 0.061 Uiso 1 1 calc R . .
C13 C 1.1602(4) 0.2848(3) 0.5003(3) 0.0472(15) Uani 1 1 d . . .
C14 C 1.1304(4) 0.2551(3) 0.4547(3) 0.0481(15) Uani 1 1 d . . .
C15 C 1.1258(4) 0.2780(3) 0.3989(2) 0.0473(15) Uani 1 1 d . . .
H15A H 1.1562 0.3104 0.4012 0.057 Uiso 1 1 calc R . .
H15B H 1.1534 0.2552 0.3757 0.057 Uiso 1 1 calc R . .
C16 C 1.0064(4) 0.2746(3) 0.3221(3) 0.0522(16) Uani 1 1 d . . .
H16 H 1.0371 0.2614 0.2957 0.063 Uiso 1 1 calc R . .
C17 C 0.9226(4) 0.2860(3) 0.3160(3) 0.0478(15) Uani 1 1 d . . .
H17 H 0.8832 0.2819 0.2845 0.057 Uiso 1 1 calc R . .
C18 C 0.9751(4) 0.3043(3) 0.4008(3) 0.0446(14) Uani 1 1 d . . .
C19 C 0.8213(4) 0.3152(2) 0.3770(3) 0.0463(15) Uani 1 1 d . . .
H19A H 0.7874 0.3313 0.3458 0.056 Uiso 1 1 calc R . .
H19B H 0.8251 0.3389 0.4074 0.056 Uiso 1 1 calc R . .
C20 C 0.7783(4) 0.2675(2) 0.3912(2) 0.0416(14) Uani 1 1 d . . .
C21 C 0.6917(4) 0.2690(2) 0.3937(2) 0.0418(14) Uani 1 1 d . . .
C22 C 0.6477(4) 0.2259(2) 0.4036(2) 0.0414(14) Uani 1 1 d . . .
C23 C 0.6911(4) 0.1808(3) 0.4125(3) 0.0501(16) Uani 1 1 d . . .
H23 H 0.6614 0.1514 0.4200 0.060 Uiso 1 1 calc R . .
C24 C 0.7775(4) 0.1778(3) 0.4106(3) 0.0506(16) Uani 1 1 d . . .
C25 C 0.8195(4) 0.2218(3) 0.3996(2) 0.0462(15) Uani 1 1 d . . .
H25 H 0.8781 0.2204 0.3979 0.055 Uiso 1 1 calc R . .
C26 C 0.8238(5) 0.1282(3) 0.4187(4) 0.067(2) Uani 1 1 d . . .
H26A H 0.8404 0.1172 0.3847 0.101 Uiso 1 1 calc R . .
H26B H 0.7869 0.1030 0.4314 0.101 Uiso 1 1 calc R . .
H26C H 0.8739 0.1324 0.4452 0.101 Uiso 1 1 calc R . .
C27 C 0.6383(5) 0.3406(3) 0.4328(4) 0.069(2) Uani 1 1 d . . .
H27A H 0.5984 0.3221 0.4514 0.104 Uiso 1 1 calc R . .
H27B H 0.6165 0.3744 0.4240 0.104 Uiso 1 1 calc R . .
H27C H 0.6924 0.3431 0.4561 0.104 Uiso 1 1 calc R . .
C28 C 0.5525(4) 0.2284(3) 0.4026(3) 0.0464(15) Uani 1 1 d . . .
H28A H 0.5400 0.2442 0.4361 0.056 Uiso 1 1 calc R . .
H28B H 0.5278 0.2498 0.3723 0.056 Uiso 1 1 calc R . .
C29 C 0.4957(4) 0.1538(3) 0.3491(3) 0.0494(16) Uani 1 1 d . . .
H29 H 0.4993 0.1665 0.3144 0.059 Uiso 1 1 calc R . .
C30 C 0.4718(4) 0.1072(3) 0.3615(3) 0.0539(17) Uani 1 1 d . . .
H30 H 0.4543 0.0809 0.3371 0.065 Uiso 1 1 calc R . .
C31 C 0.5024(4) 0.1498(3) 0.4390(2) 0.0421(14) Uani 1 1 d . . .
C32 C 0.4620(4) 0.0596(2) 0.4477(3) 0.0435(14) Uani 1 1 d . . .
H32A H 0.4024 0.0496 0.4389 0.052 Uiso 1 1 calc R . .
H32B H 0.4734 0.0668 0.4865 0.052 Uiso 1 1 calc R . .
C33 C 0.5179(4) 0.0172(3) 0.4341(3) 0.0487(15) Uani 1 1 d . . .
C34 C 0.4896(5) -0.0176(3) 0.3938(3) 0.0566(18) Uani 1 1 d . . .
C35 C 0.4033(5) -0.0174(3) 0.3661(3) 0.066(2) Uani 1 1 d . . .
H35 H 0.3643 0.0062 0.3765 0.080 Uiso 1 1 calc R . .
C36 C 0.3774(6) -0.0508(3) 0.3253(3) 0.077(2) Uani 1 1 d . . .
H36 H 0.3210 -0.0506 0.3080 0.092 Uiso 1 1 calc R . .
C37 C 0.4361(7) -0.0855(4) 0.3096(4) 0.083(3) Uani 1 1 d U . .
H37 H 0.4184 -0.1078 0.2809 0.100 Uiso 1 1 calc R . .
C38 C 0.5152(7) -0.0880(3) 0.3337(3) 0.081(3) Uani 1 1 d U . .
H38 H 0.5523 -0.1119 0.3220 0.098 Uiso 1 1 calc R . .
C39 C 0.5454(6) -0.0545(3) 0.3776(3) 0.065(2) Uani 1 1 d . . .
C40 C 0.6289(6) -0.0550(3) 0.4035(3) 0.069(2) Uani 1 1 d . . .
H40 H 0.6666 -0.0793 0.3929 0.083 Uiso 1 1 calc R . .
C41 C 0.6580(5) -0.0219(3) 0.4434(3) 0.062(2) Uani 1 1 d . . .
C42 C 0.7434(5) -0.0234(3) 0.4688(4) 0.072(2) Uani 1 1 d . . .
H42 H 0.7807 -0.0474 0.4572 0.087 Uiso 1 1 calc R . .
C43 C 0.7723(5) 0.0084(4) 0.5089(4) 0.077(2) Uani 1 1 d . . .
H43 H 0.8289 0.0060 0.5258 0.092 Uiso 1 1 calc R . .
C44 C 0.7180(4) 0.0453(3) 0.5256(3) 0.065(2) Uani 1 1 d . . .
H44 H 0.7382 0.0676 0.5538 0.078 Uiso 1 1 calc R . .
C45 C 0.6356(4) 0.0489(3) 0.5011(3) 0.0572(18) Uani 1 1 d . . .
H45 H 0.6003 0.0741 0.5124 0.069 Uiso 1 1 calc R . .
C46 C 0.6028(4) 0.0156(3) 0.4592(3) 0.0498(16) Uani 1 1 d . . .
P1 P 0.22384(13) 0.13649(8) 0.69920(8) 0.0590(5) Uani 1 1 d U . .
F1 F 0.2301(3) 0.1329(2) 0.63679(18) 0.0793(13) Uani 1 1 d U . .
F2 F 0.2728(4) 0.0838(2) 0.7065(2) 0.0999(17) Uani 1 1 d U . .
F6 F 0.2222(4) 0.1410(3) 0.7609(2) 0.1021(18) Uani 1 1 d U . .
F4 F 0.1748(4) 0.1877(2) 0.6903(2) 0.1008(18) Uani 1 1 d U . .
F3 F 0.1381(4) 0.1077(3) 0.6896(3) 0.114(2) Uani 1 1 d U . .
F5 F 0.3123(4) 0.1653(3) 0.7070(3) 0.114(2) Uani 1 1 d U . .
N5 N 0.3423(5) 0.3029(4) 0.7201(3) 0.090(2) Uani 1 1 d D . .
C47 C 0.2820(5) 0.3027(4) 0.7390(3) 0.073(2) Uani 1 1 d D . .
C48 C 0.2032(5) 0.2991(6) 0.7598(4) 0.107(4) Uani 1 1 d D . .
H48A H 0.1647 0.3250 0.7432 0.160 Uiso 1 1 calc R . .
H48B H 0.2128 0.3040 0.7986 0.160 Uiso 1 1 calc R . .
H48C H 0.1786 0.2659 0.7516 0.160 Uiso 1 1 calc R . .
N6 N 1.0000 0.2592(4) 0.7500 0.083(3) Uani 1 2 d SDU . .
C49 C 1.0000 0.2170(5) 0.7500 0.087(4) Uani 1 2 d SDU . .
C50 C 1.0000 0.1626(5) 0.7500 0.122(5) Uani 1 2 d SDU . .
N7 N 0.6845(14) 0.0651(11) 0.2707(11) 0.077(6) Uani 0.25 1 d PDU A 1
C55 C 0.6147(15) 0.0573(14) 0.2721(13) 0.072(5) Uani 0.25 1 d PDU A 1
C56 C 0.5294(14) 0.0402(11) 0.2568(11) 0.062(6) Uani 0.25 1 d PDU . 1
O3 O 0.6322(17) 0.0355(10) 0.2921(10) 0.078(5) Uani 0.25 1 d PU B 2
C51 C 0.1846(15) 1.0311(14) 0.3465(15) 0.079(7) Uani 0.25 1 d PDU C 3
C52 C 0.1217(15) 0.9916(11) 0.3261(11) 0.065(4) Uani 0.25 1 d PDU C 3
C53 C -0.0096(12) 0.9731(8) 0.3537(8) 0.044(4) Uani 0.25 1 d PDU C 3
C54 C -0.0416(16) 0.9883(11) 0.4040(11) 0.046(5) Uani 0.25 1 d PDU C 3
O2 O 0.0624(9) 1.0061(6) 0.3614(6) 0.051(3) Uani 0.25 1 d PDU C 3
N8 N -0.1209(16) 1.0052(10) 0.3551(10) 0.092(7) Uani 0.30 1 d PDU D 4
C57 C -0.0724(14) 0.9912(9) 0.3886(9) 0.044(4) Uani 0.30 1 d PDU D 4
C58 C -0.0017(15) 0.9782(10) 0.4277(10) 0.062(5) Uani 0.30 1 d PDU D 4
N9 N 0.191(2) 1.0401(13) 0.3284(15) 0.076(7) Uani 0.20 1 d PDU E 5
C59 C 0.144(3) 1.0077(13) 0.3208(18) 0.072(6) Uani 0.20 1 d PDU E 5
C60 C 0.104(3) 0.9590(13) 0.3168(18) 0.077(8) Uani 0.20 1 d PDU E 5
O4 O 0.5000 0.3891(13) 0.7500 0.071(8) Uani 0.25 2 d SPU F 6
O4' O 0.464(2) 0.3975(15) 0.7724(15) 0.055(8) Uani 0.13 1 d PU . 7
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'
O O 0.0106 0.0060 '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'
P P 0.1023 0.0942 '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
C18 Ag1 C31 178.3(3) 7_656 .
C21 O1 C27 113.0(5) . .
C18 N1 C16 110.8(5) . .
C18 N1 C15 125.8(5) . .
C16 N1 C15 123.4(5) . .
C18 N2 C17 111.5(5) . .
C18 N2 C19 123.6(5) . .
C17 N2 C19 124.0(5) . .
C31 N3 C29 111.5(5) . .
C31 N3 C28 123.8(5) . .
C29 N3 C28 124.0(5) . .
C31 N4 C30 111.1(6) . .
C31 N4 C32 124.5(5) . .
C30 N4 C32 124.4(6) . .
C14 C1 C6 120.3(6) . .
C14 C1 C2 122.8(6) . .
C6 C1 C2 116.9(7) . .
C3 C2 C1 121.2(7) . .
C3 C2 H2 119.4 . .
C1 C2 H2 119.4 . .
C2 C3 C4 121.2(7) . .
C2 C3 H3 119.4 . .
C4 C3 H3 119.4 . .
C5 C4 C3 120.8(8) . .
C5 C4 H4 119.6 . .
C3 C4 H4 119.6 . .
C4 C5 C6 119.7(7) . .
C4 C5 H5 120.2 . .
C6 C5 H5 120.2 . .
C7 C6 C1 119.5(7) . .
C7 C6 C5 120.2(6) . .
C1 C6 C5 120.3(6) . .
C8 C7 C6 121.7(6) . .
C8 C7 H7 119.2 . .
C6 C7 H7 119.2 . .
C7 C8 C9 121.4(6) . .
C7 C8 C13 119.5(6) . .
C9 C8 C13 119.1(7) . .
C10 C9 C8 121.8(7) . .
C10 C9 H9 119.1 . .
C8 C9 H9 119.1 . .
C9 C10 C11 120.2(7) . .
C9 C10 H10 119.9 . .
C11 C10 H10 119.9 . .
C12 C11 C10 120.2(7) . .
C12 C11 H11 119.9 . .
C10 C11 H11 119.9 . .
C11 C12 C13 122.1(7) . .
C11 C12 H12 118.9 . .
C13 C12 H12 118.9 . .
C14 C13 C12 125.0(6) . .
C14 C13 C8 118.3(6) . .
C12 C13 C8 116.6(6) . .
C1 C14 C13 120.7(6) . .
C1 C14 C15 119.8(6) . .
C13 C14 C15 119.5(6) . .
N1 C15 C14 110.8(5) . .
N1 C15 H15A 109.5 . .
C14 C15 H15A 109.5 . .
N1 C15 H15B 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 108.1 . .
C17 C16 N1 105.7(6) . .
C17 C16 H16 127.2 . .
N1 C16 H16 127.2 . .
C16 C17 N2 106.7(6) . .
C16 C17 H17 126.6 . .
N2 C17 H17 126.6 . .
N2 C18 N1 105.2(5) . .
N2 C18 Ag1 127.9(4) . 7_656
N1 C18 Ag1 126.8(4) . 7_656
N2 C19 C20 111.1(5) . .
N2 C19 H19A 109.4 . .
C20 C19 H19A 109.4 . .
N2 C19 H19B 109.4 . .
C20 C19 H19B 109.4 . .
H19A C19 H19B 108.0 . .
C25 C20 C21 118.3(6) . .
C25 C20 C19 123.3(5) . .
C21 C20 C19 118.4(6) . .
C22 C21 O1 120.2(5) . .
C22 C21 C20 121.2(6) . .
O1 C21 C20 118.6(6) . .
C21 C22 C23 119.1(6) . .
C21 C22 C28 119.7(5) . .
C23 C22 C28 121.1(6) . .
C22 C23 C24 121.3(6) . .
C22 C23 H23 119.3 . .
C24 C23 H23 119.3 . .
C23 C24 C25 117.9(6) . .
C23 C24 C26 121.1(6) . .
C25 C24 C26 121.0(6) . .
C20 C25 C24 122.2(6) . .
C20 C25 H25 118.9 . .
C24 C25 H25 118.9 . .
C24 C26 H26A 109.5 . .
C24 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C24 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
O1 C27 H27A 109.5 . .
O1 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
O1 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
N3 C28 C22 112.2(5) . .
N3 C28 H28A 109.2 . .
C22 C28 H28A 109.2 . .
N3 C28 H28B 109.2 . .
C22 C28 H28B 109.2 . .
H28A C28 H28B 107.9 . .
C30 C29 N3 106.2(6) . .
C30 C29 H29 126.9 . .
N3 C29 H29 126.9 . .
C29 C30 N4 106.6(6) . .
C29 C30 H30 126.7 . .
N4 C30 H30 126.7 . .
N4 C31 N3 104.5(5) . .
N4 C31 Ag1 128.8(5) . .
N3 C31 Ag1 126.5(5) . .
N4 C32 C33 110.0(5) . .
N4 C32 H32A 109.7 . .
C33 C32 H32A 109.7 . .
N4 C32 H32B 109.7 . .
C33 C32 H32B 109.7 . .
H32A C32 H32B 108.2 . .
C34 C33 C46 119.7(6) . .
C34 C33 C32 121.0(6) . .
C46 C33 C32 119.0(6) . .
C33 C34 C39 120.6(7) . .
C33 C34 C35 122.2(7) . .
C39 C34 C35 117.2(7) . .
C36 C35 C34 121.4(9) . .
C36 C35 H35 119.3 . .
C34 C35 H35 119.3 . .
C35 C36 C37 119.1(9) . .
C35 C36 H36 120.4 . .
C37 C36 H36 120.4 . .
C38 C37 C36 122.4(9) . .
C38 C37 H37 118.8 . .
C36 C37 H37 118.8 . .
C37 C38 C39 120.9(9) . .
C37 C38 H38 119.5 . .
C39 C38 H38 119.5 . .
C40 C39 C34 118.1(7) . .
C40 C39 C38 122.9(8) . .
C34 C39 C38 119.0(9) . .
C41 C40 C39 122.6(7) . .
C41 C40 H40 118.7 . .
C39 C40 H40 118.7 . .
C40 C41 C46 119.5(8) . .
C40 C41 C42 121.2(8) . .
C46 C41 C42 119.2(8) . .
C43 C42 C41 121.7(8) . .
C43 C42 H42 119.1 . .
C41 C42 H42 119.1 . .
C42 C43 C44 119.7(8) . .
C42 C43 H43 120.1 . .
C44 C43 H43 120.1 . .
C45 C44 C43 120.4(8) . .
C45 C44 H44 119.8 . .
C43 C44 H44 119.8 . .
C44 C45 C46 121.3(7) . .
C44 C45 H45 119.3 . .
C46 C45 H45 119.3 . .
C33 C46 C45 123.0(6) . .
C33 C46 C41 119.5(7) . .
C45 C46 C41 117.6(7) . .
F3 P1 F6 93.1(4) . .
F3 P1 F4 89.4(4) . .
F6 P1 F4 89.8(3) . .
F3 P1 F1 89.7(3) . .
F6 P1 F1 177.2(3) . .
F4 P1 F1 90.6(3) . .
F3 P1 F5 177.9(4) . .
F6 P1 F5 88.9(4) . .
F4 P1 F5 91.2(4) . .
F1 P1 F5 88.3(3) . .
F3 P1 F2 89.8(4) . .
F6 P1 F2 91.7(3) . .
F4 P1 F2 178.3(3) . .
F1 P1 F2 87.9(3) . .
F5 P1 F2 89.6(4) . .
N5 C47 C48 175.1(12) . .
C47 C48 H48A 109.5 . .
C47 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C47 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
N6 C49 C50 180.000(3) . .
N7 C55 C56 161(3) . .
C56 C56 C55 161(2) 2_655 .
O2 C52 C51 94.1(8) . .
O2 C53 C54 95.0(8) . .
C53 O2 C52 109.9(15) . .
N8 C57 C58 171(3) . .
N9 C59 C60 165(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 C18 2.095(6) 7_656
Ag1 C31 2.095(6) .
O1 C21 1.393(7) .
O1 C27 1.443(9) .
N1 C18 1.358(8) .
N1 C16 1.389(8) .
N1 C15 1.484(7) .
N2 C18 1.336(8) .
N2 C17 1.376(8) .
N2 C19 1.474(8) .
N3 C31 1.348(8) .
N3 C29 1.385(9) .
N3 C28 1.448(8) .
N4 C31 1.347(8) .
N4 C30 1.390(8) .
N4 C32 1.485(8) .
C1 C14 1.392(10) .
C1 C6 1.429(9) .
C1 C2 1.451(10) .
C2 C3 1.355(10) .
C2 H2 0.9500 .
C3 C4 1.419(11) .
C3 H3 0.9500 .
C4 C5 1.359(11) .
C4 H4 0.9500 .
C5 C6 1.446(10) .
C5 H5 0.9500 .
C6 C7 1.392(10) .
C7 C8 1.390(10) .
C7 H7 0.9500 .
C8 C9 1.434(10) .
C8 C13 1.457(9) .
C9 C10 1.345(11) .
C9 H9 0.9500 .
C10 C11 1.433(10) .
C10 H10 0.9500 .
C11 C12 1.371(10) .
C11 H11 0.9500 .
C12 C13 1.435(10) .
C12 H12 0.9500 .
C13 C14 1.424(10) .
C14 C15 1.526(9) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 C17 1.369(9) .
C16 H16 0.9500 .
C17 H17 0.9500 .
C18 Ag1 2.095(6) 7_656
C19 C20 1.514(9) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 C25 1.386(9) .
C20 C21 1.404(8) .
C21 C22 1.389(9) .
C22 C23 1.393(9) .
C22 C28 1.530(8) .
C23 C24 1.400(9) .
C23 H23 0.9500 .
C24 C25 1.402(9) .
C24 C26 1.514(10) .
C25 H25 0.9500 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 C30 1.347(10) .
C29 H29 0.9500 .
C30 H30 0.9500 .
C32 C33 1.512(9) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 C34 1.403(10) .
C33 C46 1.422(9) .
C34 C39 1.429(11) .
C34 C35 1.463(11) .
C35 C36 1.380(11) .
C35 H35 0.9500 .
C36 C37 1.417(14) .
C36 H36 0.9500 .
C37 C38 1.331(14) .
C37 H37 0.9500 .
C38 C39 1.453(12) .
C38 H38 0.9500 .
C39 C40 1.407(12) .
C40 C41 1.370(12) .
C40 H40 0.9500 .
C41 C46 1.431(10) .
C41 C42 1.431(11) .
C42 C43 1.351(12) .
C42 H42 0.9500 .
C43 C44 1.418(12) .
C43 H43 0.9500 .
C44 C45 1.384(10) .
C44 H44 0.9500 .
C45 C46 1.423(10) .
C45 H45 0.9500 .
P1 F3 1.566(6) .
P1 F6 1.567(5) .
P1 F4 1.576(6) .
P1 F1 1.596(5) .
P1 F5 1.604(6) .
P1 F2 1.606(6) .
N5 C47 1.141(7) .
C47 C48 1.441(7) .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
N6 C49 1.126(8) .
C49 C50 1.447(8) .
N7 C55 1.146(9) .
C55 C56 1.445(9) .
C56 C56 0.96(4) 2_655
C51 C52 1.500(10) .
C52 O2 1.446(10) .
C53 O2 1.444(10) .
C53 C54 1.493(10) .
N8 C57 1.131(8) .
C57 C58 1.437(8) .
N9 C59 1.140(9) .
C59 C60 1.443(9) .
O4' O4' 1.72(8) 2_656
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
C14 C1 C2 C3 178.2(6) . .
C6 C1 C2 C3 -0.3(9) . .
C1 C2 C3 C4 -0.1(10) . .
C2 C3 C4 C5 1.1(11) . .
C3 C4 C5 C6 -1.5(10) . .
C14 C1 C6 C7 0.2(9) . .
C2 C1 C6 C7 178.7(6) . .
C14 C1 C6 C5 -178.7(6) . .
C2 C1 C6 C5 -0.1(9) . .
C4 C5 C6 C7 -177.8(6) . .
C4 C5 C6 C1 1.0(9) . .
C1 C6 C7 C8 -1.0(9) . .
C5 C6 C7 C8 177.8(6) . .
C6 C7 C8 C9 -180.0(6) . .
C6 C7 C8 C13 0.1(9) . .
C7 C8 C9 C10 179.5(6) . .
C13 C8 C9 C10 -0.6(9) . .
C8 C9 C10 C11 0.6(10) . .
C9 C10 C11 C12 0.0(10) . .
C10 C11 C12 C13 -0.7(9) . .
C11 C12 C13 C14 178.8(6) . .
C11 C12 C13 C8 0.7(9) . .
C7 C8 C13 C14 1.6(8) . .
C9 C8 C13 C14 -178.3(5) . .
C7 C8 C13 C12 179.8(5) . .
C9 C8 C13 C12 -0.1(8) . .
C6 C1 C14 C13 1.6(9) . .
C2 C1 C14 C13 -176.9(6) . .
C6 C1 C14 C15 -177.1(5) . .
C2 C1 C14 C15 4.5(9) . .
C12 C13 C14 C1 179.5(6) . .
C8 C13 C14 C1 -2.4(8) . .
C12 C13 C14 C15 -1.8(9) . .
C8 C13 C14 C15 176.3(5) . .
C18 N1 C15 C14 41.6(9) . .
C16 N1 C15 C14 -136.4(6) . .
C1 C14 C15 N1 69.4(8) . .
C13 C14 C15 N1 -109.2(6) . .
C18 N1 C16 C17 -0.1(8) . .
C15 N1 C16 C17 178.2(6) . .
N1 C16 C17 N2 1.0(8) . .
C18 N2 C17 C16 -1.6(8) . .
C19 N2 C17 C16 -171.5(6) . .
C17 N2 C18 N1 1.6(7) . .
C19 N2 C18 N1 171.4(6) . .
C17 N2 C18 Ag1 179.9(5) . 7_656
C19 N2 C18 Ag1 -10.2(9) . 7_656
C16 N1 C18 N2 -0.9(8) . .
C15 N1 C18 N2 -179.1(6) . .
C16 N1 C18 Ag1 -179.3(5) . 7_656
C15 N1 C18 Ag1 2.5(10) . 7_656
C18 N2 C19 C20 -89.4(7) . .
C17 N2 C19 C20 79.2(8) . .
N2 C19 C20 C25 10.0(9) . .
N2 C19 C20 C21 -167.2(5) . .
C27 O1 C21 C22 84.2(7) . .
C27 O1 C21 C20 -97.8(7) . .
C25 C20 C21 C22 -0.9(9) . .
C19 C20 C21 C22 176.5(6) . .
C25 C20 C21 O1 -178.9(5) . .
C19 C20 C21 O1 -1.5(9) . .
O1 C21 C22 C23 179.6(6) . .
C20 C21 C22 C23 1.6(9) . .
O1 C21 C22 C28 1.7(9) . .
C20 C21 C22 C28 -176.3(6) . .
C21 C22 C23 C24 -1.3(10) . .
C28 C22 C23 C24 176.5(6) . .
C22 C23 C24 C25 0.3(10) . .
C22 C23 C24 C26 -178.1(7) . .
C21 C20 C25 C24 -0.2(9) . .
C19 C20 C25 C24 -177.4(6) . .
C23 C24 C25 C20 0.5(10) . .
C26 C24 C25 C20 178.9(7) . .
C31 N3 C28 C22 89.9(7) . .
C29 N3 C28 C22 -80.1(7) . .
C21 C22 C28 N3 162.2(5) . .
C23 C22 C28 N3 -15.6(8) . .
C31 N3 C29 C30 0.3(7) . .
C28 N3 C29 C30 171.4(6) . .
N3 C29 C30 N4 -1.2(7) . .
C31 N4 C30 C29 1.8(7) . .
C32 N4 C30 C29 -176.2(5) . .
C30 N4 C31 N3 -1.5(7) . .
C32 N4 C31 N3 176.5(5) . .
C30 N4 C31 Ag1 174.6(4) . .
C32 N4 C31 Ag1 -7.4(9) . .
C29 N3 C31 N4 0.7(7) . .
C28 N3 C31 N4 -170.4(5) . .
C29 N3 C31 Ag1 -175.5(4) . .
C28 N3 C31 Ag1 13.4(8) . .
C18 Ag1 C31 N4 -178(100) 7_656 .
C18 Ag1 C31 N3 -3(8) 7_656 .
C31 N4 C32 C33 -121.9(6) . .
C30 N4 C32 C33 55.9(8) . .
N4 C32 C33 C34 -93.4(7) . .
N4 C32 C33 C46 80.8(7) . .
C46 C33 C34 C39 -0.4(10) . .
C32 C33 C34 C39 173.8(6) . .
C46 C33 C34 C35 -179.3(6) . .
C32 C33 C34 C35 -5.2(10) . .
C33 C34 C35 C36 177.7(7) . .
C39 C34 C35 C36 -1.3(11) . .
C34 C35 C36 C37 -0.8(12) . .
C35 C36 C37 C38 1.7(14) . .
C36 C37 C38 C39 -0.4(14) . .
C33 C34 C39 C40 0.5(10) . .
C35 C34 C39 C40 179.5(7) . .
C33 C34 C39 C38 -176.4(7) . .
C35 C34 C39 C38 2.6(10) . .
C37 C38 C39 C40 -178.6(8) . .
C37 C38 C39 C34 -1.8(12) . .
C34 C39 C40 C41 0.3(11) . .
C38 C39 C40 C41 177.1(7) . .
C39 C40 C41 C46 -1.2(11) . .
C39 C40 C41 C42 -179.9(7) . .
C40 C41 C42 C43 -178.6(8) . .
C46 C41 C42 C43 2.7(12) . .
C41 C42 C43 C44 -1.8(13) . .
C42 C43 C44 C45 -0.1(12) . .
C43 C44 C45 C46 1.0(11) . .
C34 C33 C46 C45 -178.7(6) . .
C32 C33 C46 C45 7.0(9) . .
C34 C33 C46 C41 -0.5(9) . .
C32 C33 C46 C41 -174.8(6) . .
C44 C45 C46 C33 178.2(7) . .
C44 C45 C46 C41 0.0(10) . .
C40 C41 C46 C33 1.2(10) . .
C42 C41 C46 C33 180.0(6) . .
C40 C41 C46 C45 179.5(7) . .
C42 C41 C46 C45 -1.7(10) . .
N7 C55 C56 C56 -98(17) . 2_655
C54 C53 O2 C52 165(2) . .
C51 C52 O2 C53 -178(2) . .
