#------------------------------------------------------------------------------
#$Date: 2016-02-16 02:10:39 +0100 (mar 16 de feb de 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/51/7205166.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_7205166
loop_
_publ_author_name
'Liu, Qing-Xiang'
'Chen, Ai-Hui'
'Zhao, Xiao-Jun'
'Zang, Yan'
'Wu, Xiu-Mei'
'Wang, Xiu-Guang'
'Guo, Jian-Hua'
_publ_section_title
;
 N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes
 containing durene linker: synthesis and structural studies
;
_journal_issue                   1
_journal_name_full               CrystEngComm
_journal_page_first              293
_journal_paper_doi               10.1039/c0ce00142b
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C30 H35 Ag F6 N4 O0.5 P'
_chemical_formula_weight         712.46
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.651(2)
_cell_angle_beta                 102.976(2)
_cell_angle_gamma                104.986(2)
_cell_formula_units_Z            2
_cell_length_a                   9.3684(14)
_cell_length_b                   13.897(2)
_cell_length_c                   14.595(2)
_cell_measurement_reflns_used    5756
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.66
_cell_measurement_theta_min      2.69
_cell_volume                     1699.1(4)
_computing_cell_refinement       'Bruker SMART APEX II'
_computing_data_collection       'Bruker SMART APEX II'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'APEX II CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0121
_diffrn_reflns_av_sigmaI/netI    0.0230
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8589
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.38
_exptl_absorpt_coefficient_mu    0.699
_exptl_absorpt_correction_T_max  0.811
_exptl_absorpt_correction_T_min  0.788
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            PALE-YELLOW
_exptl_crystal_density_diffrn    1.393
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             724.0
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.865
_refine_diff_density_min         -0.433
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     431
_refine_ls_number_reflns         5920
_refine_ls_number_restraints     87
_refine_ls_restrained_S_all      1.124
_refine_ls_R_factor_all          0.0543
_refine_ls_R_factor_gt           0.0473
_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)+(0.1038P)²+1.0933P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1486
_refine_ls_wR_factor_ref         0.1573
_reflns_number_gt                5151
_reflns_number_total             5984
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CE00142B.TXT
_cod_data_source_block           2g
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C30 H35 Ag F6 N4 O0.50 P'
_cod_database_code               7205166
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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 0.50531(4) 0.79252(3) 0.70270(2) 0.05613(17) Uani 1 1 d . . .
P1 P 0.1748(2) 0.28176(13) 0.77221(15) 0.0833(5) Uani 1 1 d D . .
F1 F 0.2124(6) 0.4051(3) 0.8049(4) 0.1228(15) Uani 1 1 d U A .
F2 F 0.1347(8) 0.2852(5) 0.6597(4) 0.129(2) Uani 0.853(10) 1 d PDU A 1
F3 F -0.0060(5) 0.2593(5) 0.7520(5) 0.123(2) Uani 0.853(10) 1 d PDU A 1
F4 F 0.3444(5) 0.2959(5) 0.7707(6) 0.127(2) Uani 0.853(10) 1 d PDU A 1
F5 F 0.2050(12) 0.2834(7) 0.8801(5) 0.180(4) Uani 0.853(10) 1 d PDU A 1
F5' F 0.087(3) 0.2909(19) 0.8498(17) 0.130(13) Uani 0.147(10) 1 d PDU A 2
F4' F 0.330(2) 0.312(2) 0.8576(17) 0.118(12) Uani 0.147(10) 1 d PDU A 2
F2' F 0.269(3) 0.290(3) 0.6985(19) 0.158(17) Uani 0.147(10) 1 d PDU A 2
F3' F 0.027(3) 0.269(3) 0.6910(18) 0.167(18) Uani 0.147(10) 1 d PDU A 2
F6 F 0.1421(7) 0.1622(4) 0.7458(6) 0.171(2) Uani 1 1 d U A .
N1 N 0.2640(4) 0.6664(3) 0.4898(3) 0.0571(9) Uani 1 1 d . . .
N2 N 0.3026(5) 0.5676(3) 0.5798(3) 0.0620(10) Uani 1 1 d . . .
N3 N 0.7457(5) 1.0094(3) 0.8480(3) 0.0591(9) Uani 1 1 d . . .
N4 N 0.6894(5) 0.8970(4) 0.9238(3) 0.0646(10) Uani 1 1 d . . .
C1 C 0.1708(6) 0.5647(4) 0.4325(4) 0.0629(12) Uani 1 1 d . . .
C2 C 0.1950(6) 0.5021(4) 0.4898(4) 0.0646(12) Uani 1 1 d . . .
C3 C 0.1165(8) 0.3944(4) 0.4562(5) 0.0828(17) Uani 1 1 d . . .
H3 H 0.1310 0.3508 0.4944 0.099 Uiso 1 1 calc R . .
C4 C 0.0133(8) 0.3577(5) 0.3596(6) 0.100(2) Uani 1 1 d . . .
H4 H -0.0437 0.2866 0.3332 0.120 Uiso 1 1 calc R . .
C5 C -0.0077(8) 0.4210(5) 0.3019(5) 0.0896(19) Uani 1 1 d . . .
H5 H -0.0753 0.3911 0.2377 0.107 Uiso 1 1 calc R . .
C6 C 0.0675(6) 0.5259(5) 0.3361(4) 0.0746(14) Uani 1 1 d . . .
H6 H 0.0516 0.5694 0.2980 0.090 Uiso 1 1 calc R . .
C7 C 0.3450(5) 0.6684(4) 0.5799(4) 0.0561(10) Uani 1 1 d . . .
C8 C 0.3698(7) 0.5322(4) 0.6597(5) 0.0781(15) Uani 1 1 d . . .
H8A H 0.2945 0.4697 0.6603 0.094 Uiso 1 1 calc R . .
H8B H 0.3956 0.5860 0.7225 0.094 Uiso 1 1 calc R . .
C9 C 0.5144(10) 0.5082(7) 0.6479(7) 0.114(3) Uani 1 1 d U . .
H9A H 0.4890 0.4551 0.5857 0.171 Uiso 1 1 calc R . .
H9B H 0.5556 0.4837 0.7009 0.171 Uiso 1 1 calc R . .
H9C H 0.5903 0.5707 0.6497 0.171 Uiso 1 1 calc R . .
C10 C 0.2643(7) 0.7562(4) 0.4513(4) 0.0734(14) Uani 1 1 d . . .
H10A H 0.1651 0.7675 0.4445 0.088 Uiso 1 1 calc R . .
H10B H 0.2790 0.7403 0.3864 0.088 Uiso 1 1 calc R . .
C11 C 0.3921(6) 0.8541(3) 0.5204(3) 0.0569(11) Uani 1 1 d . . .
C12 C 0.5431(6) 0.8647(4) 0.5205(3) 0.0585(11) Uani 1 1 d . . .
C13 C 0.6664(6) 0.9397(4) 0.5989(3) 0.0584(11) Uani 1 1 d . . .
C14 C 0.6338(5) 1.0024(4) 0.6758(3) 0.0565(11) Uani 1 1 d . . .
C15 C 0.4823(6) 0.9999(4) 0.6705(3) 0.0583(11) Uani 1 1 d . . .
C16 C 0.3604(6) 0.9250(4) 0.5917(4) 0.0608(11) Uani 1 1 d . . .
C17 C 0.5759(9) 0.7906(5) 0.4407(5) 0.0892(18) Uani 1 1 d . . .
H17A H 0.6229 0.7460 0.4685 0.134 Uiso 1 1 calc R . .
H17B H 0.6451 0.8300 0.4131 0.134 Uiso 1 1 calc R . .
H17C H 0.4805 0.7483 0.3896 0.134 Uiso 1 1 calc R . .
C18 C 0.8316(7) 0.9453(7) 0.6057(5) 0.098(2) Uani 1 1 d . . .
H18A H 0.8797 0.9363 0.6671 0.147 Uiso 1 1 calc R . .
H18B H 0.8879 1.0123 0.6029 0.147 Uiso 1 1 calc R . .
H18C H 0.8323 0.8908 0.5515 0.147 Uiso 1 1 calc R . .
C19 C 0.4505(8) 1.0701(5) 0.7559(5) 0.0877(17) Uani 1 1 d . . .
H19A H 0.3711 1.0969 0.7298 0.132 Uiso 1 1 calc R . .
H19B H 0.5437 1.1274 0.7944 0.132 Uiso 1 1 calc R . .
H19C H 0.4169 1.0301 0.7970 0.132 Uiso 1 1 calc R . .
C20 C 0.1953(7) 0.9160(6) 0.5899(6) 0.0948(19) Uani 1 1 d . . .
H20A H 0.1645 0.8748 0.6308 0.142 Uiso 1 1 calc R . .
H20B H 0.1278 0.8828 0.5232 0.142 Uiso 1 1 calc R . .
H20C H 0.1890 0.9848 0.6145 0.142 Uiso 1 1 calc R . .
C21 C 0.7599(7) 1.0649(5) 0.7736(4) 0.0733(14) Uani 1 1 d . . .
H21A H 0.8611 1.0741 0.7637 0.088 Uiso 1 1 calc R . .
H21B H 0.7510 1.1337 0.7974 0.088 Uiso 1 1 calc R . .
C22 C 0.8271(6) 1.0593(4) 0.9471(3) 0.0628(12) Uani 1 1 d . . .
C23 C 0.7901(6) 0.9867(5) 0.9943(4) 0.0659(13) Uani 1 1 d . . .
C24 C 0.8545(9) 1.0128(7) 1.0985(4) 0.092(2) Uani 1 1 d . . .
H24 H 0.8296 0.9651 1.1324 0.110 Uiso 1 1 calc R . .
C25 C 0.9568(9) 1.1139(7) 1.1463(5) 0.104(3) Uani 1 1 d . . .
H25 H 1.0030 1.1337 1.2143 0.125 Uiso 1 1 calc R . .
C26 C 0.9935(9) 1.1864(6) 1.0981(5) 0.095(2) Uani 1 1 d . . .
H26 H 1.0618 1.2536 1.1338 0.114 Uiso 1 1 calc R . .
C27 C 0.9289(7) 1.1597(5) 0.9967(4) 0.0792(15) Uani 1 1 d . . .
H27 H 0.9533 1.2078 0.9631 0.095 Uiso 1 1 calc R . .
C28 C 0.6610(6) 0.9106(4) 0.8341(3) 0.0595(11) Uani 1 1 d . . .
C29 C 0.6113(9) 0.8010(6) 0.9424(5) 0.095(2) Uani 1 1 d . . .
H29A H 0.6774 0.7945 1.0006 0.114 Uiso 1 1 calc R . .
H29B H 0.5946 0.7408 0.8866 0.114 Uiso 1 1 calc R . .
C30 C 0.4577(11) 0.8010(9) 0.9581(7) 0.140(3) Uani 1 1 d U . .
H30A H 0.4751 0.8537 1.0191 0.210 Uiso 1 1 calc R . .
H30B H 0.4035 0.7335 0.9610 0.210 Uiso 1 1 calc R . .
H30C H 0.3968 0.8157 0.9042 0.210 Uiso 1 1 calc R . .
O1 O 0.7426(13) 0.3839(11) 0.8796(11) 0.142(4) Uani 0.50 1 d P . .
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
_geom_angle_publ_flag
C7 Ag1 C28 175.31(16) . . ?
F5 P1 F2' 137.3(11) . . ?
F5 P1 F5' 43.5(10) . . ?
F2' P1 F5' 171.9(16) . . ?
F5 P1 F6 86.5(5) . . ?
F2' P1 F6 91.4(15) . . ?
F5' P1 F6 96.7(10) . . ?
F5 P1 F3' 132.7(11) . . ?
F2' P1 F3' 90.0(5) . . ?
F5' P1 F3' 90.0(5) . . ?
F6 P1 F3' 92.8(16) . . ?
F5 P1 F4 95.7(4) . . ?
F2' P1 F4 41.6(11) . . ?
F5' P1 F4 137.8(10) . . ?
F6 P1 F4 89.0(3) . . ?
F3' P1 F4 131.6(11) . . ?
F5 P1 F4' 48.5(10) . . ?
F2' P1 F4' 89.4(5) . . ?
F5' P1 F4' 89.5(5) . . ?
F6 P1 F4' 95.2(12) . . ?
F3' P1 F4' 172.0(15) . . ?
F4 P1 F4' 48.4(10) . . ?
F5 P1 F3 94.4(4) . . ?
F2' P1 F3 128.2(11) . . ?
F5' P1 F3 52.8(10) . . ?
F6 P1 F3 88.0(3) . . ?
F3' P1 F3 38.4(11) . . ?
F4 P1 F3 169.3(4) . . ?
F4' P1 F3 142.2(11) . . ?
F5 P1 F1 90.8(4) . . ?
F2' P1 F1 90.1(15) . . ?
F5' P1 F1 81.9(9) . . ?
F6 P1 F1 177.1(4) . . ?
F3' P1 F1 89.7(16) . . ?
F4 P1 F1 90.4(3) . . ?
F4' P1 F1 82.3(12) . . ?
F3 P1 F1 93.1(3) . . ?
F5 P1 F2 175.8(4) . . ?
F2' P1 F2 46.0(11) . . ?
F5' P1 F2 132.8(11) . . ?
F6 P1 F2 96.3(4) . . ?
F3' P1 F2 44.2(12) . . ?
F4 P1 F2 87.5(4) . . ?
F4' P1 F2 134.0(11) . . ?
F3 P1 F2 82.6(3) . . ?
F1 P1 F2 86.5(3) . . ?
C7 N1 C1 110.9(4) . . ?
C7 N1 C10 128.0(4) . . ?
C1 N1 C10 121.1(4) . . ?
C7 N2 C2 110.8(4) . . ?
C7 N2 C8 124.3(5) . . ?
C2 N2 C8 124.8(4) . . ?
C28 N3 C22 110.3(4) . . ?
C28 N3 C21 128.7(4) . . ?
C22 N3 C21 120.9(4) . . ?
C28 N4 C23 110.7(4) . . ?
C28 N4 C29 123.7(5) . . ?
C23 N4 C29 125.5(4) . . ?
C2 C1 N1 106.3(5) . . ?
C2 C1 C6 122.9(5) . . ?
N1 C1 C6 130.8(5) . . ?
C1 C2 N2 106.5(4) . . ?
C1 C2 C3 121.9(6) . . ?
N2 C2 C3 131.6(6) . . ?
C2 C3 C4 114.0(6) . . ?
C2 C3 H3 123.0 . . ?
C4 C3 H3 123.0 . . ?
C5 C4 C3 123.6(6) . . ?
C5 C4 H4 118.2 . . ?
C3 C4 H4 118.2 . . ?
C6 C5 C4 121.7(7) . . ?
C6 C5 H5 119.1 . . ?
C4 C5 H5 119.1 . . ?
C5 C6 C1 115.8(6) . . ?
C5 C6 H6 122.1 . . ?
C1 C6 H6 122.1 . . ?
N2 C7 N1 105.5(4) . . ?
N2 C7 Ag1 122.7(4) . . ?
N1 C7 Ag1 131.8(3) . . ?
N2 C8 C9 111.0(5) . . ?
N2 C8 H8A 109.4 . . ?
C9 C8 H8A 109.4 . . ?
N2 C8 H8B 109.4 . . ?
C9 C8 H8B 109.4 . . ?
H8A C8 H8B 108.0 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N1 C10 C11 110.5(4) . . ?
N1 C10 H10A 109.6 . . ?
C11 C10 H10A 109.6 . . ?
N1 C10 H10B 109.6 . . ?
C11 C10 H10B 109.6 . . ?
H10A C10 H10B 108.1 . . ?
C12 C11 C16 120.8(4) . . ?
C12 C11 C10 118.6(5) . . ?
C16 C11 C10 120.0(5) . . ?
C11 C12 C13 119.8(4) . . ?
C11 C12 C17 120.4(5) . . ?
C13 C12 C17 119.6(5) . . ?
C14 C13 C12 118.8(4) . . ?
C14 C13 C18 120.3(5) . . ?
C12 C13 C18 120.6(5) . . ?
C13 C14 C15 121.3(4) . . ?
C13 C14 C21 120.5(5) . . ?
C15 C14 C21 117.7(5) . . ?
C16 C15 C14 118.9(4) . . ?
C16 C15 C19 120.7(5) . . ?
C14 C15 C19 120.0(5) . . ?
C15 C16 C11 119.6(4) . . ?
C15 C16 C20 119.2(5) . . ?
C11 C16 C20 121.1(5) . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C15 C19 H19A 109.5 . . ?
C15 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C15 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C16 C20 H20A 109.5 . . ?
C16 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C16 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N3 C21 C14 110.3(4) . . ?
N3 C21 H21A 109.6 . . ?
C14 C21 H21A 109.6 . . ?
N3 C21 H21B 109.6 . . ?
C14 C21 H21B 109.6 . . ?
H21A C21 H21B 108.1 . . ?
C23 C22 C27 122.4(5) . . ?
C23 C22 N3 106.0(5) . . ?
C27 C22 N3 131.6(5) . . ?
N4 C23 C22 106.9(4) . . ?
N4 C23 C24 132.4(6) . . ?
C22 C23 C24 120.6(6) . . ?
C25 C24 C23 115.7(7) . . ?
C25 C24 H24 122.2 . . ?
C23 C24 H24 122.2 . . ?
C26 C25 C24 123.3(6) . . ?
C26 C25 H25 118.4 . . ?
C24 C25 H25 118.4 . . ?
C25 C26 C27 120.2(7) . . ?
C25 C26 H26 119.9 . . ?
C27 C26 H26 119.9 . . ?
C22 C27 C26 117.8(7) . . ?
C22 C27 H27 121.1 . . ?
C26 C27 H27 121.1 . . ?
N3 C28 N4 106.1(4) . . ?
N3 C28 Ag1 130.2(3) . . ?
N4 C28 Ag1 123.7(4) . . ?
N4 C29 C30 111.7(6) . . ?
N4 C29 H29A 109.3 . . ?
C30 C29 H29A 109.3 . . ?
N4 C29 H29B 109.3 . . ?
C30 C29 H29B 109.3 . . ?
H29A C29 H29B 107.9 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 C7 2.106(5) . ?
Ag1 C28 2.125(5) . ?
P1 F5 1.529(6) . ?
P1 F2' 1.541(11) . ?
P1 F5' 1.543(10) . ?
P1 F6 1.545(5) . ?
P1 F3' 1.548(11) . ?
P1 F4 1.556(5) . ?
P1 F4' 1.568(10) . ?
P1 F3 1.585(5) . ?
P1 F1 1.586(5) . ?
P1 F2 1.616(5) . ?
N1 C7 1.353(6) . ?
N1 C1 1.391(6) . ?
N1 C10 1.483(6) . ?
N2 C7 1.352(6) . ?
N2 C2 1.392(7) . ?
N2 C8 1.450(7) . ?
N3 C28 1.338(7) . ?
N3 C22 1.383(6) . ?
N3 C21 1.482(6) . ?
N4 C28 1.344(6) . ?
N4 C23 1.361(7) . ?
N4 C29 1.465(8) . ?
C1 C2 1.367(7) . ?
C1 C6 1.403(8) . ?
C2 C3 1.393(7) . ?
C3 C4 1.407(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.373(11) . ?
C4 H4 0.9300 . ?
C5 C6 1.356(9) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C8 C9 1.512(9) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.506(7) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.384(7) . ?
C11 C16 1.396(7) . ?
C12 C13 1.397(7) . ?
C12 C17 1.507(7) . ?
C13 C14 1.394(7) . ?
C13 C18 1.509(7) . ?
C14 C15 1.395(7) . ?
C14 C21 1.521(7) . ?
C15 C16 1.393(7) . ?
C15 C19 1.528(7) . ?
C16 C20 1.513(7) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C23 1.367(8) . ?
C22 C27 1.380(8) . ?
C23 C24 1.422(7) . ?
C24 C25 1.386(11) . ?
C24 H24 0.9300 . ?
C25 C26 1.375(12) . ?
C25 H25 0.9300 . ?
C26 C27 1.385(9) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C29 C30 1.507(11) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C7 N1 C1 C2 0.2(5) . . . . ?
C10 N1 C1 C2 -178.7(5) . . . . ?
C7 N1 C1 C6 179.3(5) . . . . ?
C10 N1 C1 C6 0.4(8) . . . . ?
N1 C1 C2 N2 -0.2(5) . . . . ?
C6 C1 C2 N2 -179.4(5) . . . . ?
N1 C1 C2 C3 178.4(5) . . . . ?
C6 C1 C2 C3 -0.8(8) . . . . ?
C7 N2 C2 C1 0.1(5) . . . . ?
C8 N2 C2 C1 -175.2(5) . . . . ?
C7 N2 C2 C3 -178.3(5) . . . . ?
C8 N2 C2 C3 6.3(9) . . . . ?
C1 C2 C3 C4 0.5(8) . . . . ?
N2 C2 C3 C4 178.7(5) . . . . ?
C2 C3 C4 C5 0.9(10) . . . . ?
C3 C4 C5 C6 -2.1(11) . . . . ?
C4 C5 C6 C1 1.8(9) . . . . ?
C2 C1 C6 C5 -0.4(8) . . . . ?
N1 C1 C6 C5 -179.3(5) . . . . ?
C2 N2 C7 N1 0.0(5) . . . . ?
C8 N2 C7 N1 175.4(5) . . . . ?
C2 N2 C7 Ag1 179.7(3) . . . . ?
C8 N2 C7 Ag1 -4.9(7) . . . . ?
C1 N1 C7 N2 -0.2(5) . . . . ?
C10 N1 C7 N2 178.7(5) . . . . ?
C1 N1 C7 Ag1 -179.8(3) . . . . ?
C10 N1 C7 Ag1 -1.0(8) . . . . ?
C28 Ag1 C7 N2 -29(2) . . . . ?
C28 Ag1 C7 N1 150.5(18) . . . . ?
C7 N2 C8 C9 -86.4(7) . . . . ?
C2 N2 C8 C9 88.3(7) . . . . ?
C7 N1 C10 C11 10.2(8) . . . . ?
C1 N1 C10 C11 -171.0(4) . . . . ?
N1 C10 C11 C12 75.8(6) . . . . ?
N1 C10 C11 C16 -95.5(5) . . . . ?
C16 C11 C12 C13 7.4(6) . . . . ?
C10 C11 C12 C13 -163.9(4) . . . . ?
C16 C11 C12 C17 -177.4(5) . . . . ?
C10 C11 C12 C17 11.3(7) . . . . ?
C11 C12 C13 C14 -0.1(6) . . . . ?
C17 C12 C13 C14 -175.3(5) . . . . ?
C11 C12 C13 C18 173.8(5) . . . . ?
C17 C12 C13 C18 -1.5(7) . . . . ?
C12 C13 C14 C15 -7.1(6) . . . . ?
C18 C13 C14 C15 179.0(5) . . . . ?
C12 C13 C14 C21 164.6(4) . . . . ?
C18 C13 C14 C21 -9.3(7) . . . . ?
C13 C14 C15 C16 6.9(6) . . . . ?
C21 C14 C15 C16 -165.0(4) . . . . ?
C13 C14 C15 C19 -179.7(5) . . . . ?
C21 C14 C15 C19 8.4(7) . . . . ?
C14 C15 C16 C11 0.4(6) . . . . ?
C19 C15 C16 C11 -172.9(5) . . . . ?
C14 C15 C16 C20 175.1(5) . . . . ?
C19 C15 C16 C20 1.8(7) . . . . ?
C12 C11 C16 C15 -7.6(6) . . . . ?
C10 C11 C16 C15 163.5(4) . . . . ?
C12 C11 C16 C20 177.8(5) . . . . ?
C10 C11 C16 C20 -11.0(7) . . . . ?
C28 N3 C21 C14 13.3(8) . . . . ?
C22 N3 C21 C14 -167.4(4) . . . . ?
C13 C14 C21 N3 -99.7(5) . . . . ?
C15 C14 C21 N3 72.3(6) . . . . ?
C28 N3 C22 C23 0.4(6) . . . . ?
C21 N3 C22 C23 -179.1(5) . . . . ?
C28 N3 C22 C27 179.6(6) . . . . ?
C21 N3 C22 C27 0.1(9) . . . . ?
C28 N4 C23 C22 -0.3(6) . . . . ?
C29 N4 C23 C22 -175.5(5) . . . . ?
C28 N4 C23 C24 179.4(6) . . . . ?
C29 N4 C23 C24 4.2(9) . . . . ?
C27 C22 C23 N4 -179.3(5) . . . . ?
N3 C22 C23 N4 -0.1(5) . . . . ?
C27 C22 C23 C24 0.9(8) . . . . ?
N3 C22 C23 C24 -179.8(5) . . . . ?
N4 C23 C24 C25 179.1(6) . . . . ?
C22 C23 C24 C25 -1.2(8) . . . . ?
C23 C24 C25 C26 1.2(10) . . . . ?
C24 C25 C26 C27 -0.9(11) . . . . ?
C23 C22 C27 C26 -0.6(9) . . . . ?
N3 C22 C27 C26 -179.6(5) . . . . ?
C25 C26 C27 C22 0.5(10) . . . . ?
C22 N3 C28 N4 -0.6(5) . . . . ?
C21 N3 C28 N4 178.8(5) . . . . ?
C22 N3 C28 Ag1 178.0(3) . . . . ?
C21 N3 C28 Ag1 -2.6(8) . . . . ?
C23 N4 C28 N3 0.6(5) . . . . ?
C29 N4 C28 N3 175.9(5) . . . . ?
C23 N4 C28 Ag1 -178.2(3) . . . . ?
C29 N4 C28 Ag1 -2.8(7) . . . . ?
C7 Ag1 C28 N3 -168.4(18) . . . . ?
C7 Ag1 C28 N4 10(2) . . . . ?
C28 N4 C29 C30 -84.5(8) . . . . ?
C23 N4 C29 C30 90.1(7) . . . . ?
