#------------------------------------------------------------------------------
#$Date: 2016-03-26 13:54:03 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180239 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/25/7112599.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_7112599
loop_
_publ_author_name
'Daniela Tapu'
'Zachary McCarty'
'Colin McMillen'
_publ_section_title
;
 A stable Janus bis(maloNHC) and its zwitterionic coinage metal complexes
;
_journal_name_full               Chem.Commun.
_journal_page_first              4725
_journal_paper_doi               10.1039/C4CC01200C
_journal_volume                  50
_journal_year                    2014
_chemical_formula_sum            'C104 H109 Ag2 Cl17 N4 O4 P2'
_chemical_formula_weight         2359.28
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 92.25(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.194(2)
_cell_length_b                   24.889(5)
_cell_length_c                   21.474(4)
_cell_measurement_reflns_used    16457
_cell_measurement_temperature    203(2)
_cell_measurement_theta_max      26.7590
_cell_measurement_theta_min      2.5061
_cell_volume                     5978(2)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2006)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2006)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2006)'
_computing_molecular_graphics    'DIAMOND (Bradenburg, 1999)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      203(2)
_diffrn_detector_area_resol_mean 14.6199
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Rigaku AFC8S'
_diffrn_measurement_method       'ω 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  0.0832
_diffrn_reflns_av_sigmaI/netI    0.0797
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            40841
_diffrn_reflns_theta_full        25.15
_diffrn_reflns_theta_max         25.15
_diffrn_reflns_theta_min         2.24
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.781
_exptl_absorpt_correction_T_max  0.8110
_exptl_absorpt_correction_T_min  0.6778
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB, CrystalClear'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       polyhedron
_exptl_crystal_F_000             2412
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.086
_refine_diff_density_min         -0.061
_refine_diff_density_rms         0.006
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.219
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     638
_refine_ls_number_reflns         10575
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.221
_refine_ls_R_factor_all          0.1250
_refine_ls_R_factor_gt           0.0979
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0111P)²+0.0845P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1956
_refine_ls_wR_factor_ref         0.2167
_reflns_number_gt                7885
_reflns_number_total             10575
_reflns_threshold_expression     >2sigma(I)
_cod_duplicate_entry             7112277
_cod_data_source_file            c4cc01200c2.cif
_cod_data_source_block           DippAg
_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 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7112599
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Ag1 Ag 0.46036(5) 0.31482(2) 0.18348(3) 0.0796(8) Uani 1 1 d .
P1 P 0.58883(18) 0.25752(8) 0.24281(10) 0.0821(9) Uani 1 1 d .
O1 O 0.2441(5) 0.3878(2) -0.0234(2) 0.0820(14) Uani 1 1 d .
O2 O 0.1084(5) 0.4570(2) 0.1669(2) 0.0909(16) Uani 1 1 d .
N2 N 0.3228(5) 0.3622(2) 0.0717(2) 0.0711(14) Uani 1 1 d .
N1 N 0.2564(5) 0.3949(2) 0.1628(2) 0.0728(15) Uani 1 1 d .
C1 C 0.3337(6) 0.3625(3) 0.1336(3) 0.0705(16) Uani 1 1 d .
C28 C 0.1912(12) 0.2265(5) -0.0167(6) 0.137(4) Uani 1 1 d .
H28A H 0.1842 0.2529 -0.0499 0.205 Uiso 1 1 calc R
H28B H 0.1123 0.2137 -0.0070 0.205 Uiso 1 1 calc R
H28C H 0.2394 0.1966 -0.0301 0.205 Uiso 1 1 calc R
C26 C 0.2504(9) 0.2522(3) 0.0410(4) 0.101(3) Uani 1 1 d .
H26 H 0.2003 0.2830 0.0531 0.122 Uiso 1 1 calc R
C18 C 0.3727(8) 0.2735(3) 0.0280(4) 0.091(2) Uani 1 1 d .
C17 C 0.4090(7) 0.3273(3) 0.0404(3) 0.0797(18) Uani 1 1 d .
C19 C 0.4614(10) 0.2417(4) 0.0022(4) 0.108(3) Uani 1 1 d .
H19 H 0.4440 0.2056 -0.0074 0.130 Uiso 1 1 calc R
C3 C 0.1644(6) 0.4283(3) 0.0668(3) 0.0706(16) Uani 1 1 d .
C22 C 0.5166(7) 0.3486(3) 0.0263(4) 0.091(2) Uani 1 1 d .
C2 C 0.2398(6) 0.3934(3) 0.0334(3) 0.0728(16) Uani 1 1 d .
C21 C 0.5990(8) 0.3125(5) 0.0007(4) 0.105(3) Uani 1 1 d .
H21 H 0.6749 0.3253 -0.0093 0.126 Uiso 1 1 calc R
C23 C 0.5498(8) 0.4074(4) 0.0368(5) 0.102(3) Uani 1 1 d .
H23 H 0.4799 0.4254 0.0546 0.122 Uiso 1 1 calc R
C20 C 0.5733(10) 0.2613(5) -0.0097(5) 0.114(3) Uani 1 1 d .
H20 H 0.6315 0.2383 -0.0253 0.137 Uiso 1 1 calc R
C4 C 0.1690(6) 0.4293(3) 0.1325(3) 0.0762(17) Uani 1 1 d .
C11 C 0.2632(7) 0.3952(3) 0.2304(3) 0.0786(18) Uani 1 1 d .
C16 C 0.2063(9) 0.3543(4) 0.2624(4) 0.097(2) Uani 1 1 d .
C12 C 0.3278(8) 0.4364(3) 0.2600(4) 0.092(2) Uani 1 1 d .
C29 C 0.1311(9) 0.3122(4) 0.2289(5) 0.107(3) Uani 1 1 d .
H29 H 0.1562 0.3108 0.1852 0.129 Uiso 1 1 calc R
C32 C 0.3905(10) 0.4796(4) 0.2250(5) 0.107(3) Uani 1 1 d .
H32 H 0.3742 0.4728 0.1801 0.128 Uiso 1 1 calc R
C13 C 0.3375(12) 0.4349(5) 0.3250(5) 0.122(3) Uani 1 1 d .
H13 H 0.3827 0.4612 0.3467 0.146 Uiso 1 1 calc R
C33 C 0.3414(11) 0.5356(4) 0.2388(7) 0.133(4) Uani 1 1 d .
H33A H 0.2547 0.5345 0.2373 0.199 Uiso 1 1 calc R
H33B H 0.3684 0.5609 0.2079 0.199 Uiso 1 1 calc R
H33C H 0.3701 0.5470 0.2799 0.199 Uiso 1 1 calc R
C34 C 0.5257(12) 0.4774(5) 0.2363(8) 0.150(5) Uani 1 1 d .
H34A H 0.5459 0.4871 0.2792 0.224 Uiso 1 1 calc R
H34B H 0.5635 0.5024 0.2085 0.224 Uiso 1 1 calc R
H34C H 0.5539 0.4413 0.2283 0.224 Uiso 1 1 calc R
C27 C 0.2551(12) 0.2129(5) 0.0944(6) 0.139(4) Uani 1 1 d .
H27A H 0.2973 0.1807 0.0823 0.209 Uiso 1 1 calc R
H27B H 0.1744 0.2035 0.1052 0.209 Uiso 1 1 calc R
H27C H 0.2966 0.2291 0.1302 0.209 Uiso 1 1 calc R
C5 C 0.0798(6) 0.4645(2) 0.0324(3) 0.0694(16) Uani 1 1 d .
C6 C 0.1129(5) 0.4912(3) -0.0213(3) 0.0691(16) Uani 1 1 d .
H6 H 0.1895 0.4854 -0.0364 0.083 Uiso 1 1 calc R
C7 C -0.0352(6) 0.4736(3) 0.0531(3) 0.0734(17) Uani 1 1 d .
H7 H -0.0604 0.4559 0.0889 0.088 Uiso 1 1 calc R
C25 C 0.5754(12) 0.4366(5) -0.0262(6) 0.142(4) Uani 1 1 d .
H25A H 0.6444 0.4203 -0.0446 0.213 Uiso 1 1 calc R
H25B H 0.5913 0.4743 -0.0182 0.213 Uiso 1 1 calc R
H25C H 0.5064 0.4331 -0.0547 0.213 Uiso 1 1 calc R
C35 C 0.6655(8) 0.2915(3) 0.3086(4) 0.093(2) Uani 1 1 d .
C47 C 0.7034(7) 0.2238(3) 0.1994(4) 0.087(2) Uani 1 1 d .
C41 C 0.5009(7) 0.2045(3) 0.2764(4) 0.0825(19) Uani 1 1 d .
C48 C 0.7336(9) 0.2444(4) 0.1412(5) 0.106(3) Uani 1 1 d .
H48 H 0.6943 0.2749 0.1246 0.127 Uiso 1 1 calc R
C52 C 0.7583(9) 0.1776(4) 0.2212(5) 0.113(3) Uani 1 1 d .
H52 H 0.7360 0.1622 0.2590 0.135 Uiso 1 1 calc R
C46 C 0.4506(10) 0.1647(4) 0.2379(4) 0.104(3) Uani 1 1 d .
H46 H 0.4695 0.1636 0.1957 0.125 Uiso 1 1 calc R
C51 C 0.8470(11) 0.1537(5) 0.1869(7) 0.137(4) Uani 1 1 d .
H51 H 0.8872 0.1231 0.2024 0.165 Uiso 1 1 calc R
C40 C 0.7669(9) 0.2718(4) 0.3393(4) 0.105(3) Uani 1 1 d .
H40 H 0.7993 0.2391 0.3261 0.126 Uiso 1 1 calc R
C42 C 0.4714(9) 0.2047(4) 0.3381(4) 0.106(3) Uani 1 1 d .
H42 H 0.5032 0.2312 0.3651 0.128 Uiso 1 1 calc R
C43 C 0.3952(10) 0.1659(5) 0.3607(5) 0.119(3) Uani 1 1 d .
H43 H 0.3767 0.1662 0.4030 0.143 Uiso 1 1 calc R
C44 C 0.3469(8) 0.1274(4) 0.3223(5) 0.103(3) Uani 1 1 d .
H44 H 0.2952 0.1012 0.3377 0.124 Uiso 1 1 calc R
C15 C 0.2151(13) 0.3550(5) 0.3266(4) 0.126(4) Uani 1 1 d .
H15 H 0.1763 0.3284 0.3494 0.152 Uiso 1 1 calc R
C45 C 0.3748(10) 0.1275(4) 0.2605(5) 0.111(3) Uani 1 1 d .
H45 H 0.3410 0.1014 0.2335 0.133 Uiso 1 1 calc R
C39 C 0.8215(11) 0.2980(6) 0.3882(5) 0.127(4) Uani 1 1 d .
H39 H 0.8909 0.2838 0.4080 0.152 Uiso 1 1 calc R
C38 C 0.7756(15) 0.3443(6) 0.4079(7) 0.151(5) Uani 1 1 d .
H38 H 0.8184 0.3643 0.4385 0.181 Uiso 1 1 calc R
C36 C 0.6160(15) 0.3369(4) 0.3313(6) 0.150(5) Uani 1 1 d .
H36 H 0.5466 0.3507 0.3110 0.180 Uiso 1 1 calc R
C49 C 0.8209(11) 0.2195(5) 0.1088(6) 0.129(4) Uani 1 1 d .
H49 H 0.8435 0.2339 0.0705 0.155 Uiso 1 1 calc R
C50 C 0.8753(11) 0.1745(5) 0.1314(7) 0.140(4) Uani 1 1 d .
H50 H 0.9336 0.1575 0.1080 0.168 Uiso 1 1 calc R
C14 C 0.2806(14) 0.3946(6) 0.3581(5) 0.145(5) Uani 1 1 d .
H14 H 0.2866 0.3943 0.4019 0.173 Uiso 1 1 calc R
C24 C 0.6561(12) 0.4142(6) 0.0840(6) 0.150(5) Uani 1 1 d .
H24A H 0.6289 0.4089 0.1259 0.225 Uiso 1 1 calc R
H24B H 0.6891 0.4500 0.0804 0.225 Uiso 1 1 calc R
H24C H 0.7171 0.3878 0.0755 0.225 Uiso 1 1 calc R
C37 C 0.6640(16) 0.3642(5) 0.3840(7) 0.157(5) Uani 1 1 d .
H37 H 0.6251 0.3935 0.4020 0.188 Uiso 1 1 calc R
C30 C 0.1499(17) 0.2568(5) 0.2570(7) 0.175(6) Uani 1 1 d .
H30A H 0.2325 0.2460 0.2529 0.262 Uiso 1 1 calc R
H30B H 0.0977 0.2312 0.2353 0.262 Uiso 1 1 calc R
H30C H 0.1314 0.2576 0.3007 0.262 Uiso 1 1 calc R
C31 C 0.0006(14) 0.3274(7) 0.2277(10) 0.208(9) Uani 1 1 d .
H31A H -0.0394 0.3074 0.2595 0.312 Uiso 1 1 calc R
H31B H -0.0358 0.3190 0.1871 0.312 Uiso 1 1 calc R
H31C H -0.0069 0.3656 0.2357 0.312 Uiso 1 1 calc R
Cl17 Cl 0.9447(2) 0.16837(12) 0.48501(14) 0.1186(11) Uani 1 1 d .
Cl18 Cl 0.8603(3) 0.09584(15) 0.38844(18) 0.1498(14) Uani 1 1 d .
Cl19 Cl 1.0378(3) 0.17381(13) 0.36145(13) 0.1226(11) Uani 1 1 d .
C100 C 0.9821(8) 0.1314(4) 0.4187(4) 0.102(3) Uani 1 1 d .
H100 H 1.0454 0.1053 0.4312 0.123 Uiso 1 1 calc R
Cl8 Cl 0.9104(5) 0.5506(3) 0.2449(3) 0.244(3) Uani 1 1 d .
Cl9 Cl 0.8484(4) 0.4453(3) 0.2950(3) 0.212(5) Uani 0.50 1 d PU
Cl39 Cl 0.8224(4) 0.4582(3) 0.2533(3) 0.399(14) Uani 0.50 1 d PU
Cl10 Cl 1.0391(7) 0.5000(4) 0.3382(3) 0.282(4) Uani 1 1 d .
C103 C 0.9559(11) 0.4902(6) 0.2705(6) 0.144(5) Uani 1 1 d .
H103 H 1.0055 0.4728 0.2391 0.173 Uiso 1 1 calc R
Cl21 Cl 0.4217(9) 0.6032(4) 0.4066(4) 0.183(3) Uani 0.50 1 d P
Cl22 Cl 0.6534(12) 0.5450(4) 0.3988(5) 0.210(5) Uani 0.50 1 d P
Cl24 Cl 0.2135(12) 0.5268(5) 0.4823(4) 0.212(5) Uani 0.50 1 d P
Cl25 Cl 0.0821(12) 0.4316(5) 0.5057(5) 0.230(6) Uani 0.50 1 d P
Cl23 Cl 0.5375(18) 0.5781(5) 0.5160(5) 0.315(11) Uani 0.50 1 d P
C102 C 0.1863(6) 0.4779(7) 0.5450(7) 0.222(17) Uani 0.50 1 d PU
H10A H 0.2602 0.4597 0.5589 0.266 Uiso 0.50 1 calc PR
H10B H 0.1504 0.4952 0.5808 0.266 Uiso 0.50 1 calc PR
C101 C 0.5007(5) 0.5565(5) 0.4392(4) 0.185(13) Uani 0.50 1 d PU
H101 H 0.4545 0.5226 0.4400 0.222 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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
P P 0.1023 0.0942 '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
C1 Ag1 P1 175.26(18) . .
C41 P1 C47 105.8(4) . .
C41 P1 C35 106.0(4) . .
C47 P1 C35 106.8(4) . .
C41 P1 Ag1 109.0(2) . .
C47 P1 Ag1 115.4(3) . .
C35 P1 Ag1 113.2(3) . .
C1 N2 C2 126.8(5) . .
C1 N2 C17 115.0(5) . .
C2 N2 C17 118.2(5) . .
C1 N1 C4 125.5(6) . .
C1 N1 C11 117.1(5) . .
C4 N1 C11 117.3(5) . .
N2 C1 N1 115.5(6) . .
N2 C1 Ag1 122.5(5) . .
N1 C1 Ag1 122.0(5) . .
C26 C28 H28A 109.5 . .
C26 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C26 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C18 C26 C27 111.4(9) . .
C18 C26 C28 111.5(9) . .
C27 C26 C28 110.4(9) . .
C18 C26 H26 107.8 . .
C27 C26 H26 107.8 . .
C28 C26 H26 107.8 . .
C19 C18 C17 113.8(9) . .
C19 C18 C26 122.7(8) . .
C17 C18 C26 123.5(7) . .
C22 C17 C18 124.9(7) . .
C22 C17 N2 118.2(7) . .
C18 C17 N2 116.9(7) . .
C20 C19 C18 122.5(9) . .
C20 C19 H19 118.7 . .
C18 C19 H19 118.7 . .
C4 C3 C2 121.0(6) . .
C4 C3 C5 119.0(6) . .
C2 C3 C5 120.0(6) . .
C17 C22 C21 115.9(9) . .
C17 C22 C23 123.6(7) . .
C21 C22 C23 120.5(8) . .
O1 C2 C3 127.9(6) . .
O1 C2 N2 117.1(6) . .
C3 C2 N2 115.0(6) . .
C20 C21 C22 122.4(9) . .
C20 C21 H21 118.8 . .
C22 C21 H21 118.8 . .
C22 C23 C24 112.2(9) . .
C22 C23 C25 111.6(9) . .
C24 C23 C25 110.7(9) . .
C22 C23 H23 107.3 . .
C24 C23 H23 107.3 . .
C25 C23 H23 107.3 . .
C21 C20 C19 120.3(8) . .
C21 C20 H20 119.9 . .
C19 C20 H20 119.9 . .
O2 C4 C3 127.6(6) . .
O2 C4 N1 116.3(6) . .
C3 C4 N1 116.2(6) . .
C12 C11 C16 123.4(7) . .
C12 C11 N1 117.7(7) . .
C16 C11 N1 118.9(7) . .
C15 C16 C11 117.9(9) . .
C15 C16 C29 120.2(9) . .
C11 C16 C29 121.8(7) . .
C11 C12 C13 116.9(9) . .
C11 C12 C32 123.0(7) . .
C13 C12 C32 120.0(9) . .
C31 C29 C16 110.8(10) . .
C31 C29 C30 110.7(12) . .
C16 C29 C30 112.0(10) . .
C31 C29 H29 107.7 . .
C16 C29 H29 107.7 . .
C30 C29 H29 107.7 . .
C12 C32 C34 112.1(9) . .
C12 C32 C33 112.2(9) . .
C34 C32 C33 111.3(9) . .
C12 C32 H32 107.0 . .
C34 C32 H32 107.0 . .
C33 C32 H32 107.0 . .
C12 C13 C14 120.6(11) . .
C12 C13 H13 119.7 . .
C14 C13 H13 119.7 . .
C32 C33 H33A 109.5 . .
C32 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C32 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C32 C34 H34A 109.5 . .
C32 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C32 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C6 C5 C7 117.7(6) . .
C6 C5 C3 121.1(6) . .
C7 C5 C3 121.2(6) . .
C5 C6 C7 121.6(6) . 3_565
C5 C6 H6 119.2 . .
C7 C6 H6 119.2 3_565 .
C6 C7 C5 120.7(6) 3_565 .
C6 C7 H7 119.6 3_565 .
C5 C7 H7 119.6 . .
C23 C25 H25A 109.5 . .
C23 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C23 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C36 C35 C40 117.6(9) . .
C36 C35 P1 118.4(8) . .
C40 C35 P1 123.8(7) . .
C52 C47 C48 119.1(8) . .
C52 C47 P1 121.7(7) . .
C48 C47 P1 119.1(6) . .
C42 C41 C46 117.8(8) . .
C42 C41 P1 122.3(7) . .
C46 C41 P1 119.6(6) . .
C49 C48 C47 119.2(10) . .
C49 C48 H48 120.4 . .
C47 C48 H48 120.4 . .
C47 C52 C51 119.7(10) . .
C47 C52 H52 120.2 . .
C51 C52 H52 120.2 . .
C45 C46 C41 121.1(9) . .
C45 C46 H46 119.5 . .
C41 C46 H46 119.5 . .
C50 C51 C52 120.1(11) . .
C50 C51 H51 120.0 . .
C52 C51 H51 120.0 . .
C39 C40 C35 122.3(11) . .
C39 C40 H40 118.9 . .
C35 C40 H40 118.9 . .
C41 C42 C43 120.5(9) . .
C41 C42 H42 119.8 . .
C43 C42 H42 119.8 . .
C44 C43 C42 120.7(9) . .
C44 C43 H43 119.6 . .
C42 C43 H43 119.6 . .
C43 C44 C45 119.0(9) . .
C43 C44 H44 120.5 . .
C45 C44 H44 120.5 . .
C16 C15 C14 120.8(10) . .
C16 C15 H15 119.6 . .
C14 C15 H15 119.6 . .
C46 C45 C44 120.9(9) . .
C46 C45 H45 119.5 . .
C44 C45 H45 119.5 . .
C38 C39 C40 119.4(12) . .
C38 C39 H39 120.3 . .
C40 C39 H39 120.3 . .
C39 C38 C37 122.0(12) . .
C39 C38 H38 119.0 . .
C37 C38 H38 119.0 . .
C35 C36 C37 122.9(12) . .
C35 C36 H36 118.6 . .
C37 C36 H36 118.6 . .
C50 C49 C48 120.8(11) . .
C50 C49 H49 119.6 . .
C48 C49 H49 119.6 . .
C51 C50 C49 121.1(11) . .
C51 C50 H50 119.5 . .
C49 C50 H50 119.5 . .
C15 C14 C13 120.3(9) . .
C15 C14 H14 119.8 . .
C13 C14 H14 119.8 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C36 C37 C38 115.1(13) . .
C36 C37 H37 122.5 . .
C38 C37 H37 122.5 . .
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 . .
C29 C31 H31A 109.5 . .
C29 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C29 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
Cl18 C100 Cl19 110.0(5) . .
Cl18 C100 Cl17 111.2(5) . .
Cl19 C100 Cl17 110.7(5) . .
Cl18 C100 H100 108.3 . .
Cl19 C100 H100 108.3 . .
Cl17 C100 H100 108.3 . .
Cl39 Cl9 C103 72.5(5) . .
Cl8 C103 Cl10 107.4(9) . .
Cl8 C103 Cl9 118.1(8) . .
Cl10 C103 Cl9 101.2(8) . .
Cl8 C103 H103 109.9 . .
Cl10 C103 H103 109.9 . .
Cl9 C103 H103 109.9 . .
C101 Cl22 C102 120.0(5) . 3_666
Cl25 C102 Cl24 101.5(5) . .
Cl25 C102 H10A 111.5 . .
Cl24 C102 H10A 111.5 . .
Cl25 C102 H10B 111.5 . .
Cl24 C102 H10B 111.5 . .
H10A C102 H10B 109.3 . .
Cl21 C101 Cl23 106.9(7) . .
Cl21 C101 Cl22 112.7(5) . .
Cl23 C101 Cl22 106.3(8) . .
Cl21 C101 H101 110.2 . .
Cl23 C101 H101 110.2 . .
Cl22 C101 H101 110.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 C1 2.109(7) .
Ag1 P1 2.362(2) .
P1 C41 1.814(8) .
P1 C47 1.819(8) .
P1 C35 1.830(9) .
O1 C2 1.230(8) .
O2 C4 1.234(8) .
N2 C1 1.330(8) .
N2 C2 1.443(8) .
N2 C17 1.478(8) .
N1 C1 1.354(8) .
N1 C4 1.435(9) .
N1 C11 1.451(9) .
C28 C26 1.523(13) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C28 H28C 0.9700 .
C26 C18 1.504(13) .
C26 C27 1.507(14) .
C26 H26 0.9900 .
C18 C19 1.401(12) .
C18 C17 1.423(11) .
C17 C22 1.360(11) .
C19 C20 1.377(16) .
C19 H19 0.9400 .
C3 C4 1.410(9) .
C3 C2 1.424(9) .
C3 C5 1.484(9) .
C22 C21 1.415(11) .
C22 C23 1.526(13) .
C21 C20 1.322(15) .
C21 H21 0.9400 .
C23 C24 1.542(15) .
C23 C25 1.571(14) .
C23 H23 0.9900 .
C20 H20 0.9400 .
C11 C12 1.395(11) .
C11 C16 1.395(11) .
C16 C15 1.378(12) .
C16 C29 1.510(14) .
C12 C13 1.397(13) .
C12 C32 1.501(13) .
C29 C31 1.508(18) .
C29 C30 1.518(15) .
C29 H29 0.9900 .
C32 C34 1.525(16) .
C32 C33 1.531(13) .
C32 H32 0.9900 .
C13 C14 1.397(18) .
C13 H13 0.9400 .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C33 H33C 0.9700 .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C34 H34C 0.9700 .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C27 H27C 0.9700 .
C5 C6 1.392(9) .
C5 C7 1.396(9) .
C6 C7 1.394(9) 3_565
C6 H6 0.9400 .
C7 C6 1.394(9) 3_565
C7 H7 0.9400 .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C25 H25C 0.9700 .
C35 C36 1.357(15) .
C35 C40 1.381(12) .
C47 C52 1.378(12) .
C47 C48 1.406(12) .
C41 C42 1.378(12) .
C41 C46 1.394(12) .
C48 C49 1.370(14) .
C48 H48 0.9400 .
C52 C51 1.392(15) .
C52 H52 0.9400 .
C46 C45 1.358(13) .
C46 H46 0.9400 .
C51 C50 1.347(18) .
C51 H51 0.9400 .
C40 C39 1.361(14) .
C40 H40 0.9400 .
C42 C43 1.389(13) .
C42 H42 0.9400 .
C43 C44 1.363(14) .
C43 H43 0.9400 .
C44 C45 1.374(14) .
C44 H44 0.9400 .
C15 C14 1.387(18) .
C15 H15 0.9400 .
C45 H45 0.9400 .
C39 C38 1.336(19) .
C39 H39 0.9400 .
C38 C37 1.42(2) .
C38 H38 0.9400 .
C36 C37 1.409(17) .
C36 H36 0.9400 .
C49 C50 1.355(17) .
C49 H49 0.9400 .
C50 H50 0.9400 .
C14 H14 0.9400 .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C24 H24C 0.9700 .
C37 H37 0.9400 .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C30 H30C 0.9700 .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C31 H31C 0.9700 .
Cl17 C100 1.761(10) .
Cl18 C100 1.730(11) .
Cl19 C100 1.754(9) .
C100 H100 0.9900 .
Cl8 C103 1.675(16) .
Cl9 Cl39 0.9845(2) .
Cl9 C103 1.738(14) .
Cl10 C103 1.712(16) .
C103 H103 0.9900 .
Cl21 C101 1.605(9) .
Cl22 C101 1.968(12) .
Cl22 C102 2.198(14) 3_666
Cl24 C102 1.849(12) .
Cl25 C102 1.823(11) .
Cl23 C101 1.768(10) .
C102 H10A 0.9800 .
C102 H10B 0.9800 .
C101 H101 0.9900 .
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
C1 Ag1 P1 C41 9(2) . .
C1 Ag1 P1 C47 128(2) . .
C1 Ag1 P1 C35 -109(2) . .
C2 N2 C1 N1 1.5(9) . .
C17 N2 C1 N1 179.1(6) . .
C2 N2 C1 Ag1 -179.7(5) . .
C17 N2 C1 Ag1 -2.0(8) . .
C4 N1 C1 N2 -2.3(9) . .
C11 N1 C1 N2 178.3(6) . .
C4 N1 C1 Ag1 178.8(5) . .
C11 N1 C1 Ag1 -0.6(8) . .
P1 Ag1 C1 N2 -115(2) . .
P1 Ag1 C1 N1 64(3) . .
C27 C26 C18 C19 70.1(11) . .
C28 C26 C18 C19 -53.7(12) . .
C27 C26 C18 C17 -110.0(10) . .
C28 C26 C18 C17 126.1(9) . .
C19 C18 C17 C22 3.4(12) . .
C26 C18 C17 C22 -176.5(8) . .
C19 C18 C17 N2 -175.9(7) . .
C26 C18 C17 N2 4.2(11) . .
C1 N2 C17 C22 -88.1(8) . .
C2 N2 C17 C22 89.7(8) . .
C1 N2 C17 C18 91.2(8) . .
C2 N2 C17 C18 -91.0(8) . .
C17 C18 C19 C20 0.1(13) . .
C26 C18 C19 C20 180.0(9) . .
C18 C17 C22 C21 -3.8(12) . .
N2 C17 C22 C21 175.4(7) . .
C18 C17 C22 C23 176.2(8) . .
N2 C17 C22 C23 -4.6(12) . .
C4 C3 C2 O1 178.9(7) . .
C5 C3 C2 O1 -1.5(11) . .
C4 C3 C2 N2 -2.9(9) . .
C5 C3 C2 N2 176.7(6) . .
C1 N2 C2 O1 179.4(6) . .
C17 N2 C2 O1 1.9(9) . .
C1 N2 C2 C3 1.0(10) . .
C17 N2 C2 C3 -176.5(6) . .
C17 C22 C21 C20 0.8(13) . .
C23 C22 C21 C20 -179.2(9) . .
C17 C22 C23 C24 117.3(10) . .
C21 C22 C23 C24 -62.7(12) . .
C17 C22 C23 C25 -117.7(10) . .
C21 C22 C23 C25 62.2(11) . .
C22 C21 C20 C19 2.4(15) . .
C18 C19 C20 C21 -2.9(15) . .
C2 C3 C4 O2 -179.3(7) . .
C5 C3 C4 O2 1.0(11) . .
C2 C3 C4 N1 2.2(10) . .
C5 C3 C4 N1 -177.4(6) . .
C1 N1 C4 O2 -178.1(7) . .
C11 N1 C4 O2 1.3(9) . .
C1 N1 C4 C3 0.5(10) . .
C11 N1 C4 C3 179.9(6) . .
C1 N1 C11 C12 97.9(8) . .
C4 N1 C11 C12 -81.6(8) . .
C1 N1 C11 C16 -81.7(9) . .
C4 N1 C11 C16 98.9(8) . .
C12 C11 C16 C15 -0.2(14) . .
N1 C11 C16 C15 179.3(9) . .
C12 C11 C16 C29 176.3(8) . .
N1 C11 C16 C29 -4.3(12) . .
C16 C11 C12 C13 2.0(13) . .
N1 C11 C12 C13 -177.5(8) . .
C16 C11 C12 C32 178.9(8) . .
N1 C11 C12 C32 -0.6(12) . .
C15 C16 C29 C31 80.4(15) . .
C11 C16 C29 C31 -95.9(13) . .
C15 C16 C29 C30 -43.8(14) . .
C11 C16 C29 C30 139.9(10) . .
C11 C12 C32 C34 -115.5(10) . .
C13 C12 C32 C34 61.4(13) . .
C11 C12 C32 C33 118.4(10) . .
C13 C12 C32 C33 -64.7(13) . .
C11 C12 C13 C14 -2.4(16) . .
C32 C12 C13 C14 -179.4(11) . .
C4 C3 C5 C6 139.4(7) . .
C2 C3 C5 C6 -40.3(9) . .
C4 C3 C5 C7 -39.8(9) . .
C2 C3 C5 C7 140.6(7) . .
C7 C5 C6 C7 0.8(11) . 3_565
C3 C5 C6 C7 -178.4(6) . 3_565
C6 C5 C7 C6 -0.8(11) . 3_565
C3 C5 C7 C6 178.4(6) . 3_565
C41 P1 C35 C36 -96.5(10) . .
C47 P1 C35 C36 151.0(10) . .
Ag1 P1 C35 C36 22.9(10) . .
C41 P1 C35 C40 78.9(9) . .
C47 P1 C35 C40 -33.6(9) . .
Ag1 P1 C35 C40 -161.7(7) . .
C41 P1 C47 C52 -38.1(9) . .
C35 P1 C47 C52 74.5(9) . .
Ag1 P1 C47 C52 -158.7(7) . .
C41 P1 C47 C48 139.6(7) . .
C35 P1 C47 C48 -107.8(8) . .
Ag1 P1 C47 C48 19.1(8) . .
C47 P1 C41 C42 132.4(8) . .
C35 P1 C41 C42 19.2(8) . .
Ag1 P1 C41 C42 -102.9(7) . .
C47 P1 C41 C46 -54.2(8) . .
C35 P1 C41 C46 -167.4(7) . .
Ag1 P1 C41 C46 70.5(7) . .
C52 C47 C48 C49 -3.1(15) . .
P1 C47 C48 C49 179.1(9) . .
C48 C47 C52 C51 3.4(16) . .
P1 C47 C52 C51 -178.9(9) . .
C42 C41 C46 C45 0.2(14) . .
P1 C41 C46 C45 -173.5(8) . .
C47 C52 C51 C50 -3(2) . .
C36 C35 C40 C39 -4.3(16) . .
P1 C35 C40 C39 -179.8(8) . .
C46 C41 C42 C43 0.7(15) . .
P1 C41 C42 C43 174.2(8) . .
C41 C42 C43 C44 -0.9(18) . .
C42 C43 C44 C45 0.1(17) . .
C11 C16 C15 C14 -1.3(17) . .
C29 C16 C15 C14 -177.8(11) . .
C41 C46 C45 C44 -1.0(16) . .
C43 C44 C45 C46 0.9(16) . .
C35 C40 C39 C38 0.6(18) . .
C40 C39 C38 C37 7(2) . .
C40 C35 C36 C37 0(2) . .
P1 C35 C36 C37 176.1(12) . .
C47 C48 C49 C50 2.2(19) . .
C52 C51 C50 C49 2(2) . .
C48 C49 C50 C51 -2(2) . .
C16 C15 C14 C13 1(2) . .
C12 C13 C14 C15 1(2) . .
C35 C36 C37 C38 7(2) . .
C39 C38 C37 C36 -10(2) . .
Cl39 Cl9 C103 Cl8 51.4(8) . .
Cl39 Cl9 C103 Cl10 168.2(7) . .
C102 Cl22 C101 Cl21 145.5(6) 3_666 .
C102 Cl22 C101 Cl23 28.6(7) 3_666 .
