#------------------------------------------------------------------------------
#$Date: 2016-02-20 02:53:41 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176768 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/46/2104635.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2104635
loop_
_publ_author_name
'Omondi, Bernard'
'Venter, Gertruida J. S.'
'Roodt, Andreas'
'Meijboom, Reinout'
_publ_section_title
;
 Isomorphism in monomeric 1:3 complexes of silver(I) salts with
 tri-p-tolylphosphine
;
_journal_coeditor_code           PS5003
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              699
_journal_page_last               706
_journal_paper_doi               10.1107/S0108768109036404
_journal_volume                  65
_journal_year                    2009
_chemical_formula_moiety         '2(C63 H63 Ag Br P3), C3 H6 N'
_chemical_formula_sum            'C129 H132 Ag2 Br2 N P6'
_chemical_formula_weight         2257.72
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   20.5740(5)
_cell_length_b                   25.5930(8)
_cell_length_c                   10.5860(7)
_cell_measurement_reflns_used    5664
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.38
_cell_measurement_theta_min      1.27
_cell_volume                     5574.1(4)
_computing_cell_refinement       'Saint-Plus (Bruker, 2004)'
_computing_data_reduction        'SAINT-Plus and XPREP (Bruker, 2004)'
_computing_molecular_graphics    'DIAMOND 3.0c (Brandenburg & Putz, 2004)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SIR97 (Altomare et al., 1999)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type
;
      Bruker X8 ApexII 4K Kappa CCD
;
_diffrn_measurement_method       'ω and φ'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0657
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            42533
_diffrn_reflns_theta_full        28.38
_diffrn_reflns_theta_max         28.38
_diffrn_reflns_theta_min         1.27
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.205
_exptl_absorpt_correction_T_max  0.8124
_exptl_absorpt_correction_T_min  0.6193
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        SADABS (Bruker, 2004)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cuboid
_exptl_crystal_F_000             2360
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.533
_refine_diff_density_min         -0.594
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.003(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     650
_refine_ls_number_reflns         12171
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.06
_refine_ls_R_factor_gt           0.0426
_refine_ls_shift/su_max          0.015
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0243P)²+0.9591P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0947
_reflns_number_gt                9587
_reflns_number_total             12171
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ps5003.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' 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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      Pna21
_cod_database_code               2104635
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'x+1/2, -y+1/2, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
P P1 0.77429(5) 0.48169(3) 0.70519(10) 0.0157(2) Uani d . 1 . .
P P2 0.82915(5) 0.32153(4) 0.73369(10) 0.0166(2) Uani d . 1 . .
P P3 0.63468(5) 0.35400(3) 0.69930(10) 0.0152(2) Uani d . 1 . .
Br Br1 0.74092(2) 0.390378(15) 0.39854(4) 0.02529(11) Uani d . 1 . .
N N01 0.4641(4) 0.1959(3) 0.1851(7) 0.034(2) Uani d PD 0.5 . .
C C02 0.4052(4) 0.1262(3) 0.3200(7) 0.091(3) Uani d D 1 . .
H H02A 0.4093 0.0922 0.278 0.136 Uiso calc R 1 . .
H H02B 0.3591 0.1352 0.3284 0.136 Uiso calc R 1 . .
H H02C 0.4251 0.1244 0.4039 0.136 Uiso calc R 1 . .
Ag Ag1 0.748095(15) 0.388351(9) 0.65604(3) 0.01535(7) Uani d . 1 . .
C C01 0.4388(4) 0.1669(3) 0.2432(8) 0.0185(17) Uani d PD 0.5 . .
C C111 0.72088(19) 0.53008(13) 0.6331(4) 0.0159(8) Uani d . 1 . .
C C112 0.7432(2) 0.57786(15) 0.5871(4) 0.0218(9) Uani d . 1 . .
H H112 0.7884 0.5854 0.5874 0.026 Uiso calc R 1 . .
C C113 0.6992(2) 0.61445(14) 0.5407(4) 0.0241(9) Uani d . 1 . .
H H113 0.715 0.6467 0.5083 0.029 Uiso calc R 1 . .
C C114 0.6335(2) 0.60498(13) 0.5409(4) 0.0227(9) Uani d . 1 . .
C C115 0.6118(2) 0.55748(15) 0.5869(4) 0.0286(11) Uani d . 1 . .
H H115 0.5665 0.5501 0.5875 0.034 Uiso calc R 1 . .
C C116 0.6549(2) 0.52055(15) 0.6318(4) 0.0281(11) Uani d . 1 . .
H H116 0.6389 0.4881 0.6624 0.034 Uiso calc R 1 . .
C C117 0.5871(2) 0.64555(16) 0.4937(5) 0.0342(12) Uani d . 1 . .
H H11A 0.6045 0.6804 0.5116 0.051 Uiso calc R 1 . .
H H11B 0.5451 0.6414 0.5364 0.051 Uiso calc R 1 . .
H H11C 0.5812 0.6414 0.4024 0.051 Uiso calc R 1 . .
C C121 0.85433(18) 0.50313(12) 0.6536(4) 0.0183(8) Uani d . 1 . .
C C122 0.8972(2) 0.53060(14) 0.7295(4) 0.0239(9) Uani d . 1 . .
H H122 0.8846 0.5396 0.813 0.029 Uiso calc R 1 . .
C C123 0.9581(2) 0.54517(14) 0.6865(4) 0.0244(10) Uani d . 1 . .
H H123 0.9866 0.5638 0.741 0.029 Uiso calc R 1 . .
C C124 0.9781(2) 0.53296(15) 0.5647(4) 0.0240(10) Uani d . 1 . .
C C125 0.9348(2) 0.50619(15) 0.4867(4) 0.0253(10) Uani d . 1 . .
H H125 0.9471 0.4981 0.4025 0.03 Uiso calc R 1 . .
C C126 0.87468(19) 0.49142(13) 0.5294(4) 0.0211(8) Uani d . 1 . .
H H126 0.8462 0.473 0.4746 0.025 Uiso calc R 1 . .
C C127 1.0449(2) 0.54764(16) 0.5194(5) 0.0316(10) Uani d . 1 . .
H H12A 1.0545 0.5837 0.5444 0.047 Uiso calc R 1 . .
H H12B 1.0468 0.5447 0.4272 0.047 Uiso calc R 1 . .
H H12C 1.0771 0.5241 0.5571 0.047 Uiso calc R 1 . .
C C131 0.77053(19) 0.49982(14) 0.8724(4) 0.0169(9) Uani d . 1 . .
C C132 0.7781(2) 0.46138(15) 0.9633(4) 0.0189(9) Uani d . 1 . .
H H132 0.789 0.4269 0.938 0.023 Uiso calc R 1 . .
C C133 0.7701(2) 0.47250(16) 1.0906(4) 0.0223(10) Uani d . 1 . .
H H133 0.7757 0.4455 1.1512 0.027 Uiso calc R 1 . .
C C134 0.7538(2) 0.52260(15) 1.1309(4) 0.0186(9) Uani d . 1 . .
C C135 0.7485(2) 0.56142(14) 1.0393(5) 0.0228(9) Uani d . 1 . .
H H135 0.7391 0.5962 1.0646 0.027 Uiso calc R 1 . .
C C136 0.75639(19) 0.55054(14) 0.9129(4) 0.0217(9) Uani d . 1 . .
H H136 0.7522 0.5778 0.8525 0.026 Uiso calc R 1 . .
C C137 0.7396(2) 0.5345(2) 1.2678(4) 0.0319(12) Uani d . 1 . .
H H13A 0.7071 0.5098 1.2997 0.048 Uiso calc R 1 . .
H H13B 0.7229 0.5702 1.2753 0.048 Uiso calc R 1 . .
H H13C 0.7797 0.5311 1.3173 0.048 Uiso calc R 1 . .
C C211 0.84400(19) 0.26558(14) 0.6306(4) 0.0169(9) Uani d . 1 . .
C C212 0.86574(19) 0.21784(13) 0.6754(4) 0.0217(9) Uani d . 1 . .
H H212 0.871 0.2126 0.7636 0.026 Uiso calc R 1 . .
C C213 0.8798(2) 0.17765(16) 0.5916(4) 0.0236(10) Uani d . 1 . .
H H213 0.8941 0.1449 0.6236 0.028 Uiso calc R 1 . .
C C214 0.8734(2) 0.18437(15) 0.4620(4) 0.0221(10) Uani d . 1 . .
C C215 0.8512(2) 0.23208(15) 0.4185(4) 0.0245(10) Uani d . 1 . .
H H215 0.8457 0.2373 0.3303 0.029 Uiso calc R 1 . .
C C216 0.8368(2) 0.27245(15) 0.5014(4) 0.0246(10) Uani d . 1 . .
H H216 0.822 0.305 0.4694 0.03 Uiso calc R 1 . .
C C217 0.8883(2) 0.14074(15) 0.3704(4) 0.0282(11) Uani d . 1 . .
H H21A 0.8658 0.1473 0.2903 0.042 Uiso calc R 1 . .
H H21B 0.8736 0.1074 0.4059 0.042 Uiso calc R 1 . .
H H21C 0.9353 0.1392 0.3554 0.042 Uiso calc R 1 . .
C C221 0.79925(19) 0.29306(13) 0.8807(4) 0.0193(9) Uani d . 1 . .
C C222 0.8146(2) 0.31365(15) 0.9988(4) 0.0261(10) Uani d . 1 . .
H H222 0.8461 0.3407 1.0053 0.031 Uiso calc R 1 . .
C C223 0.7847(3) 0.29509(17) 1.1061(4) 0.0324(12) Uani d . 1 . .
H H223 0.7959 0.3096 1.1858 0.039 Uiso calc R 1 . .
C C224 0.7386(2) 0.25576(17) 1.1004(4) 0.0282(11) Uani d . 1 . .
C C225 0.7226(2) 0.23623(16) 0.9832(4) 0.0262(10) Uani d . 1 . .
H H225 0.6903 0.2098 0.9772 0.031 Uiso calc R 1 . .
C C226 0.7519(2) 0.25401(14) 0.8745(4) 0.0220(9) Uani d . 1 . .
H H226 0.74 0.2397 0.7951 0.026 Uiso calc R 1 . .
C C227 0.7078(3) 0.23477(18) 1.2196(5) 0.0429(14) Uani d . 1 . .
H H22A 0.6613 0.2289 1.2052 0.064 Uiso calc R 1 . .
H H22B 0.7135 0.2601 1.2882 0.064 Uiso calc R 1 . .
H H22C 0.7286 0.2017 1.2429 0.064 Uiso calc R 1 . .
C C231 0.9128(2) 0.34194(14) 0.7674(4) 0.0169(9) Uani d . 1 . .
C C232 0.9544(2) 0.31648(15) 0.8494(4) 0.0234(10) Uani d . 1 . .
H H232 0.9389 0.2882 0.8991 0.028 Uiso calc R 1 . .
C C233 1.0181(2) 0.33188(15) 0.8592(4) 0.0257(10) Uani d . 1 . .
H H233 1.0456 0.3145 0.9178 0.031 Uiso calc R 1 . .
C C234 1.0436(2) 0.37201(16) 0.7864(4) 0.0230(10) Uani d . 1 . .
C C235 1.0014(2) 0.39762(14) 0.7055(4) 0.0245(10) Uani d . 1 . .
H H235 1.0171 0.4257 0.6554 0.029 Uiso calc R 1 . .
C C236 0.9367(2) 0.38319(13) 0.6960(4) 0.0203(9) Uani d . 1 . .
H H236 0.9086 0.4016 0.6404 0.024 Uiso calc R 1 . .
C C237 1.1137(2) 0.38566(18) 0.7925(5) 0.0342(12) Uani d . 1 . .
H H23A 1.1395 0.3572 0.7561 0.051 Uiso calc R 1 . .
H H23B 1.1264 0.391 0.8808 0.051 Uiso calc R 1 . .
H H23C 1.1215 0.4178 0.7446 0.051 Uiso calc R 1 . .
C C311 0.56772(17) 0.39657(12) 0.6519(4) 0.0166(8) Uani d . 1 . .
C C312 0.5208(2) 0.41489(14) 0.7348(4) 0.0204(9) Uani d . 1 . .
H H312 0.5218 0.4043 0.8208 0.025 Uiso calc R 1 . .
C C313 0.47228(19) 0.44853(13) 0.6938(4) 0.0234(10) Uani d . 1 . .
H H313 0.4405 0.4606 0.752 0.028 Uiso calc R 1 . .
C C314 0.4697(2) 0.46476(14) 0.5690(4) 0.0244(11) Uani d . 1 . .
C C315 0.5170(2) 0.44651(15) 0.4874(4) 0.0264(10) Uani d . 1 . .
H H315 0.516 0.4573 0.4016 0.032 Uiso calc R 1 . .
C C316 0.56573(19) 0.41311(13) 0.5263(5) 0.0222(8) Uani d . 1 . .
H H316 0.5977 0.4014 0.468 0.027 Uiso calc R 1 . .
C C317 0.4182(2) 0.50179(15) 0.5246(6) 0.0406(12) Uani d . 1 . .
H H31A 0.4322 0.5378 0.5402 0.061 Uiso calc R 1 . .
H H31B 0.3777 0.495 0.5705 0.061 Uiso calc R 1 . .
H H31C 0.4109 0.4968 0.4339 0.061 Uiso calc R 1 . .
C C321 0.61573(19) 0.29391(13) 0.6154(3) 0.0154(8) Uani d . 1 . .
C C322 0.5523(2) 0.27694(15) 0.5915(4) 0.0198(9) Uani d . 1 . .
H H322 0.5165 0.2981 0.6161 0.024 Uiso calc R 1 . .
C C323 0.5413(2) 0.22942(14) 0.5320(4) 0.0243(9) Uani d . 1 . .
H H323 0.498 0.2183 0.5165 0.029 Uiso calc R 1 . .
C C324 0.5926(2) 0.19803(14) 0.4950(4) 0.0241(10) Uani d . 1 . .
C C325 0.6551(2) 0.21497(13) 0.5187(4) 0.0231(9) Uani d . 1 . .
H H325 0.6906 0.1933 0.4956 0.028 Uiso calc R 1 . .
C C326 0.6672(2) 0.26251(14) 0.5752(4) 0.0193(9) Uani d . 1 . .
H H326 0.7107 0.2739 0.5868 0.023 Uiso calc R 1 . .
C C327 0.5819(3) 0.14704(16) 0.4266(4) 0.0393(13) Uani d . 1 . .
H H32A 0.5375 0.1347 0.442 0.059 Uiso calc R 1 . .
H H32B 0.613 0.121 0.4575 0.059 Uiso calc R 1 . .
H H32C 0.5883 0.1523 0.3357 0.059 Uiso calc R 1 . .
C C331 0.6165(2) 0.33917(13) 0.8646(4) 0.0171(9) Uani d . 1 . .
C C332 0.57429(18) 0.29970(14) 0.9029(4) 0.0196(8) Uani d . 1 . .
H H332 0.5545 0.2777 0.8416 0.024 Uiso calc R 1 . .
C C333 0.56095(19) 0.29229(13) 1.0304(4) 0.0213(8) Uani d . 1 . .
H H333 0.5321 0.2652 1.055 0.026 Uiso calc R 1 . .
C C334 0.5889(2) 0.32374(15) 1.1225(4) 0.0206(9) Uani d . 1 . .
C C335 0.6322(2) 0.36221(16) 1.0834(4) 0.0240(10) Uani d . 1 . .
H H335 0.6529 0.3836 1.1448 0.029 Uiso calc R 1 . .
C C336 0.6459(2) 0.36987(15) 0.9569(4) 0.0200(9) Uani d . 1 . .
H H336 0.6756 0.3964 0.9326 0.024 Uiso calc R 1 . .
C C337 0.5730(3) 0.31681(19) 1.2600(4) 0.0335(12) Uani d . 1 . .
H H33A 0.6126 0.321 1.3103 0.05 Uiso calc R 1 . .
H H33B 0.555 0.2818 1.2736 0.05 Uiso calc R 1 . .
H H33C 0.541 0.3431 1.2856 0.05 Uiso calc R 1 . .
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 0 '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'
Br Br -0.2901 2.4595 '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'
N N 0.0061 0.0033 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C121 P1 C111 . . 102.41(17) ?
C121 P1 C131 . . 104.58(19) ?
C111 P1 C131 . . 101.95(17) ?
C121 P1 Ag1 . . 114.85(12) ?
C111 P1 Ag1 . . 115.56(12) ?
C131 P1 Ag1 . . 115.69(12) ?
C221 P2 C211 . . 104.67(17) ?
C221 P2 C231 . . 105.30(19) ?
C211 P2 C231 . . 100.53(17) ?
C221 P2 Ag1 . . 108.98(12) ?
C211 P2 Ag1 . . 116.53(13) ?
C231 P2 Ag1 . . 119.34(13) ?
C321 P3 C311 . . 102.05(17) ?
C321 P3 C331 . . 104.37(17) ?
C311 P3 C331 . . 103.44(19) ?
C321 P3 Ag1 . . 113.72(14) ?
C311 P3 Ag1 . . 115.96(12) ?
C331 P3 Ag1 . . 115.63(13) ?
C01 C02 H02A . . 109.5 ?
C01 C02 H02B . . 109.5 ?
H02A C02 H02B . . 109.5 ?
C01 C02 H02C . . 109.5 ?
H02A C02 H02C . . 109.5 ?
H02B C02 H02C . . 109.5 ?
P1 Ag1 P2 . . 115.87(4) ?
P1 Ag1 P3 . . 119.44(3) ?
P2 Ag1 P3 . . 108.30(3) ?
P1 Ag1 Br1 . . 101.59(3) ?
P2 Ag1 Br1 . . 111.92(3) ?
P3 Ag1 Br1 . . 97.88(3) ?
N01 C01 C02 . . 178.3(10) ?
C116 C111 C112 . . 118.4(4) ?
C116 C111 P1 . . 118.5(3) ?
C112 C111 P1 . . 122.9(3) ?
C113 C112 C111 . . 120.0(4) ?
C113 C112 H112 . . 120 ?
C111 C112 H112 . . 120 ?
C114 C113 C112 . . 121.4(4) ?
C114 C113 H113 . . 119.3 ?
C112 C113 H113 . . 119.3 ?
C113 C114 C115 . . 118.2(4) ?
C113 C114 C117 . . 120.4(4) ?
C115 C114 C117 . . 121.4(4) ?
C116 C115 C114 . . 121.0(4) ?
C116 C115 H115 . . 119.5 ?
C114 C115 H115 . . 119.5 ?
C111 C116 C115 . . 121.0(4) ?
C111 C116 H116 . . 119.5 ?
C115 C116 H116 . . 119.5 ?
C114 C117 H11A . . 109.5 ?
C114 C117 H11B . . 109.5 ?
H11A C117 H11B . . 109.5 ?
C114 C117 H11C . . 109.5 ?
H11A C117 H11C . . 109.5 ?
H11B C117 H11C . . 109.5 ?
C122 C121 C126 . . 117.3(4) ?
C122 C121 P1 . . 123.8(3) ?
C126 C121 P1 . . 118.9(3) ?
C123 C122 C121 . . 121.5(4) ?
C123 C122 H122 . . 119.2 ?
C121 C122 H122 . . 119.2 ?
C122 C123 C124 . . 120.8(4) ?
C122 C123 H123 . . 119.6 ?
C124 C123 H123 . . 119.6 ?
C123 C124 C125 . . 118.1(4) ?
C123 C124 C127 . . 120.7(4) ?
C125 C124 C127 . . 121.2(4) ?
C126 C125 C124 . . 121.1(4) ?
C126 C125 H125 . . 119.5 ?
C124 C125 H125 . . 119.5 ?
C125 C126 C121 . . 121.1(4) ?
C125 C126 H126 . . 119.4 ?
C121 C126 H126 . . 119.4 ?
C124 C127 H12A . . 109.5 ?
C124 C127 H12B . . 109.5 ?
H12A C127 H12B . . 109.5 ?
C124 C127 H12C . . 109.5 ?
H12A C127 H12C . . 109.5 ?
H12B C127 H12C . . 109.5 ?
C132 C131 C136 . . 118.1(4) ?
C132 C131 P1 . . 119.1(3) ?
C136 C131 P1 . . 122.7(3) ?
C131 C132 C133 . . 121.0(4) ?
C131 C132 H132 . . 119.5 ?
C133 C132 H132 . . 119.5 ?
C132 C133 C134 . . 121.0(4) ?
C132 C133 H133 . . 119.5 ?
C134 C133 H133 . . 119.5 ?
C133 C134 C135 . . 117.5(4) ?
C133 C134 C137 . . 121.7(4) ?
C135 C134 C137 . . 120.7(4) ?
C136 C135 C134 . . 121.6(4) ?
C136 C135 H135 . . 119.2 ?
C134 C135 H135 . . 119.2 ?
C135 C136 C131 . . 120.7(4) ?
C135 C136 H136 . . 119.7 ?
C131 C136 H136 . . 119.7 ?
C134 C137 H13A . . 109.5 ?
C134 C137 H13B . . 109.5 ?
H13A C137 H13B . . 109.5 ?
C134 C137 H13C . . 109.5 ?
H13A C137 H13C . . 109.5 ?
H13B C137 H13C . . 109.5 ?
C212 C211 C216 . . 119.0(4) ?
C212 C211 P2 . . 122.7(3) ?
C216 C211 P2 . . 118.2(3) ?
C211 C212 C213 . . 120.1(4) ?
C211 C212 H212 . . 119.9 ?
C213 C212 H212 . . 119.9 ?
C214 C213 C212 . . 121.3(4) ?
C214 C213 H213 . . 119.4 ?
C212 C213 H213 . . 119.4 ?
C215 C214 C213 . . 118.1(4) ?
C215 C214 C217 . . 120.4(4) ?
C213 C214 C217 . . 121.6(4) ?
C214 C215 C216 . . 121.1(4) ?
C214 C215 H215 . . 119.4 ?
C216 C215 H215 . . 119.4 ?
C211 C216 C215 . . 120.4(4) ?
C211 C216 H216 . . 119.8 ?
C215 C216 H216 . . 119.8 ?
C214 C217 H21A . . 109.5 ?
C214 C217 H21B . . 109.5 ?
H21A C217 H21B . . 109.5 ?
C214 C217 H21C . . 109.5 ?
H21A C217 H21C . . 109.5 ?
H21B C217 H21C . . 109.5 ?
C222 C221 C226 . . 118.1(4) ?
C222 C221 P2 . . 122.5(3) ?
C226 C221 P2 . . 118.7(3) ?
C223 C222 C221 . . 120.5(4) ?
C223 C222 H222 . . 119.7 ?
C221 C222 H222 . . 119.7 ?
C222 C223 C224 . . 121.4(4) ?
C222 C223 H223 . . 119.3 ?
C224 C223 H223 . . 119.3 ?
C225 C224 C223 . . 117.9(4) ?
C225 C224 C227 . . 121.5(4) ?
C223 C224 C227 . . 120.6(4) ?
C226 C225 C224 . . 121.8(4) ?
C226 C225 H225 . . 119.1 ?
C224 C225 H225 . . 119.1 ?
C225 C226 C221 . . 120.2(4) ?
C225 C226 H226 . . 119.9 ?
C221 C226 H226 . . 119.9 ?
C224 C227 H22A . . 109.5 ?
C224 C227 H22B . . 109.5 ?
H22A C227 H22B . . 109.5 ?
C224 C227 H22C . . 109.5 ?
H22A C227 H22C . . 109.5 ?
H22B C227 H22C . . 109.5 ?
C232 C231 C236 . . 118.7(4) ?
C232 C231 P2 . . 124.7(3) ?
C236 C231 P2 . . 116.3(3) ?
C233 C232 C231 . . 120.3(4) ?
C233 C232 H232 . . 119.9 ?
C231 C232 H232 . . 119.9 ?
C232 C233 C234 . . 122.1(4) ?
C232 C233 H233 . . 118.9 ?
C234 C233 H233 . . 118.9 ?
C235 C234 C233 . . 117.2(4) ?
C235 C234 C237 . . 121.7(4) ?
C233 C234 C237 . . 121.1(4) ?
C236 C235 C234 . . 121.4(4) ?
C236 C235 H235 . . 119.3 ?
C234 C235 H235 . . 119.3 ?
C235 C236 C231 . . 120.2(4) ?
C235 C236 H236 . . 119.9 ?
C231 C236 H236 . . 119.9 ?
C234 C237 H23A . . 109.5 ?
C234 C237 H23B . . 109.5 ?
H23A C237 H23B . . 109.5 ?
C234 C237 H23C . . 109.5 ?
H23A C237 H23C . . 109.5 ?
H23B C237 H23C . . 109.5 ?
C312 C311 C316 . . 118.7(3) ?
C312 C311 P3 . . 123.6(3) ?
C316 C311 P3 . . 117.7(3) ?
C311 C312 C313 . . 120.9(4) ?
C311 C312 H312 . . 119.6 ?
C313 C312 H312 . . 119.6 ?
C314 C313 C312 . . 120.8(4) ?
C314 C313 H313 . . 119.6 ?
C312 C313 H313 . . 119.6 ?
C315 C314 C313 . . 117.8(4) ?
C315 C314 C317 . . 121.1(4) ?
C313 C314 C317 . . 121.0(4) ?
C316 C315 C314 . . 122.3(4) ?
C316 C315 H315 . . 118.9 ?
C314 C315 H315 . . 118.9 ?
C315 C316 C311 . . 119.6(4) ?
C315 C316 H316 . . 120.2 ?
C311 C316 H316 . . 120.2 ?
C314 C317 H31A . . 109.5 ?
C314 C317 H31B . . 109.5 ?
H31A C317 H31B . . 109.5 ?
C314 C317 H31C . . 109.5 ?
H31A C317 H31C . . 109.5 ?
H31B C317 H31C . . 109.5 ?
C326 C321 C322 . . 118.3(3) ?
C326 C321 P3 . . 118.3(3) ?
C322 C321 P3 . . 123.4(3) ?
C323 C322 C321 . . 120.4(4) ?
C323 C322 H322 . . 119.8 ?
C321 C322 H322 . . 119.8 ?
C324 C323 C322 . . 120.9(4) ?
C324 C323 H323 . . 119.5 ?
C322 C323 H323 . . 119.5 ?
C325 C324 C323 . . 118.5(3) ?
C325 C324 C327 . . 119.6(4) ?
C323 C324 C327 . . 121.9(4) ?
C326 C325 C324 . . 121.6(4) ?
C326 C325 H325 . . 119.2 ?
C324 C325 H325 . . 119.2 ?
C325 C326 C321 . . 120.2(4) ?
C325 C326 H326 . . 119.9 ?
C321 C326 H326 . . 119.9 ?
C324 C327 H32A . . 109.5 ?
C324 C327 H32B . . 109.5 ?
H32A C327 H32B . . 109.5 ?
C324 C327 H32C . . 109.5 ?
H32A C327 H32C . . 109.5 ?
H32B C327 H32C . . 109.5 ?
C336 C331 C332 . . 118.4(4) ?
C336 C331 P3 . . 117.8(3) ?
C332 C331 P3 . . 123.8(3) ?
C333 C332 C331 . . 120.3(4) ?
C333 C332 H332 . . 119.8 ?
C331 C332 H332 . . 119.8 ?
C334 C333 C332 . . 121.4(4) ?
C334 C333 H333 . . 119.3 ?
C332 C333 H333 . . 119.3 ?
C333 C334 C335 . . 117.8(4) ?
C333 C334 C337 . . 121.4(4) ?
C335 C334 C337 . . 120.8(4) ?
C336 C335 C334 . . 121.2(4) ?
C336 C335 H335 . . 119.4 ?
C334 C335 H335 . . 119.4 ?
C335 C336 C331 . . 120.8(4) ?
C335 C336 H336 . . 119.6 ?
C331 C336 H336 . . 119.6 ?
C334 C337 H33A . . 109.5 ?
C334 C337 H33B . . 109.5 ?
H33A C337 H33B . . 109.5 ?
C334 C337 H33C . . 109.5 ?
H33A C337 H33C . . 109.5 ?
H33B C337 H33C . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
P1 C121 . 1.820(4) ?
P1 C111 . 1.823(4) ?
P1 C131 . 1.832(4) ?
P1 Ag1 . 2.5034(9) ?
P2 C221 . 1.825(4) ?
P2 C211 . 1.826(4) ?
P2 C231 . 1.834(4) ?
P2 Ag1 . 2.5261(10) ?
P3 C321 . 1.818(4) ?
P3 C311 . 1.826(4) ?
P3 C331 . 1.829(4) ?
P3 Ag1 . 2.5353(11) ?
Br1 Ag1 . 2.7304(5) ?
N01 C01 . 1.095(9) ?
C02 C01 . 1.492(9) ?
C02 H02A . 0.98 ?
C02 H02B . 0.98 ?
C02 H02C . 0.98 ?
C111 C116 . 1.379(5) ?
C111 C112 . 1.394(5) ?
C112 C113 . 1.391(5) ?
C112 H112 . 0.95 ?
C113 C114 . 1.374(6) ?
C113 H113 . 0.95 ?
C114 C115 . 1.384(5) ?
C114 C117 . 1.497(5) ?
C115 C116 . 1.381(6) ?
C115 H115 . 0.95 ?
C116 H116 . 0.95 ?
C117 H11A . 0.98 ?
C117 H11B . 0.98 ?
C117 H11C . 0.98 ?
C121 C122 . 1.385(6) ?
C121 C126 . 1.412(6) ?
C122 C123 . 1.384(6) ?
C122 H122 . 0.95 ?
C123 C124 . 1.389(6) ?
C123 H123 . 0.95 ?
C124 C125 . 1.396(6) ?
C124 C127 . 1.504(6) ?
C125 C126 . 1.370(6) ?
C125 H125 . 0.95 ?
C126 H126 . 0.95 ?
C127 H12A . 0.98 ?
C127 H12B . 0.98 ?
C127 H12C . 0.98 ?
C131 C132 . 1.384(5) ?
C131 C136 . 1.397(5) ?
C132 C133 . 1.388(5) ?
C132 H132 . 0.95 ?
C133 C134 . 1.392(5) ?
C133 H133 . 0.95 ?
C134 C135 . 1.393(6) ?
C134 C137 . 1.509(6) ?
C135 C136 . 1.376(6) ?
C135 H135 . 0.95 ?
C136 H136 . 0.95 ?
C137 H13A . 0.98 ?
C137 H13B . 0.98 ?
C137 H13C . 0.98 ?
C211 C212 . 1.385(5) ?
C211 C216 . 1.387(6) ?
C212 C213 . 1.389(5) ?
C212 H212 . 0.95 ?
C213 C214 . 1.389(5) ?
C213 H213 . 0.95 ?
C214 C215 . 1.383(6) ?
C214 C217 . 1.511(5) ?
C215 C216 . 1.388(5) ?
C215 H215 . 0.95 ?
C216 H216 . 0.95 ?
C217 H21A . 0.98 ?
C217 H21B . 0.98 ?
C217 H21C . 0.98 ?
C221 C222 . 1.393(6) ?
C221 C226 . 1.397(5) ?
C222 C223 . 1.377(6) ?
C222 H222 . 0.95 ?
C223 C224 . 1.384(7) ?
C223 H223 . 0.95 ?
C224 C225 . 1.378(6) ?
C224 C227 . 1.511(6) ?
C225 C226 . 1.376(6) ?
C225 H225 . 0.95 ?
C226 H226 . 0.95 ?
C227 H22A . 0.98 ?
C227 H22B . 0.98 ?
C227 H22C . 0.98 ?
C231 C232 . 1.382(5) ?
C231 C236 . 1.388(5) ?
C232 C233 . 1.371(6) ?
C232 H232 . 0.95 ?
C233 C234 . 1.388(6) ?
C233 H233 . 0.95 ?
C234 C235 . 1.385(6) ?
C234 C237 . 1.486(6) ?
C235 C236 . 1.384(6) ?
C235 H235 . 0.95 ?
C236 H236 . 0.95 ?
C237 H23A . 0.98 ?
C237 H23B . 0.98 ?
C237 H23C . 0.98 ?
C311 C312 . 1.386(5) ?
C311 C316 . 1.396(6) ?
C312 C313 . 1.387(5) ?
C312 H312 . 0.95 ?
C313 C314 . 1.387(6) ?
C313 H313 . 0.95 ?
C314 C315 . 1.383(6) ?
C314 C317 . 1.498(6) ?
C315 C316 . 1.380(5) ?
C315 H315 . 0.95 ?
C316 H316 . 0.95 ?
C317 H31A . 0.98 ?
C317 H31B . 0.98 ?
C317 H31C . 0.98 ?
C321 C326 . 1.395(5) ?
C321 C322 . 1.399(5) ?
C322 C323 . 1.388(5) ?
C322 H322 . 0.95 ?
C323 C324 . 1.382(6) ?
C323 H323 . 0.95 ?
C324 C325 . 1.380(6) ?
C324 C327 . 1.509(5) ?
C325 C326 . 1.378(5) ?
C325 H325 . 0.95 ?
C326 H326 . 0.95 ?
C327 H32A . 0.98 ?
C327 H32B . 0.98 ?
C327 H32C . 0.98 ?
C331 C336 . 1.391(5) ?
C331 C332 . 1.393(5) ?
C332 C333 . 1.390(6) ?
C332 H332 . 0.95 ?
C333 C334 . 1.389(6) ?
C333 H333 . 0.95 ?
C334 C335 . 1.391(6) ?
C334 C337 . 1.502(6) ?
C335 C336 . 1.383(6) ?
C335 H335 . 0.95 ?
C336 H336 . 0.95 ?
C337 H33A . 0.98 ?
C337 H33B . 0.98 ?
C337 H33C . 0.98 ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C121 P1 Ag1 P2 . . . . 54.09(16) ?
C111 P1 Ag1 P2 . . . . 173.03(14) ?
C131 P1 Ag1 P2 . . . . -67.97(15) ?
C121 P1 Ag1 P3 . . . . -173.51(15) ?
C111 P1 Ag1 P3 . . . . -54.56(15) ?
C131 P1 Ag1 P3 . . . . 64.44(15) ?
C121 P1 Ag1 Br1 . . . . -67.45(15) ?
C111 P1 Ag1 Br1 . . . . 51.49(14) ?
C131 P1 Ag1 Br1 . . . . 170.49(14) ?
C221 P2 Ag1 P1 . . . . 99.08(14) ?
C211 P2 Ag1 P1 . . . . -142.82(14) ?
C231 P2 Ag1 P1 . . . . -21.82(15) ?
C221 P2 Ag1 P3 . . . . -38.28(14) ?
C211 P2 Ag1 P3 . . . . 79.81(14) ?
C231 P2 Ag1 P3 . . . . -159.19(14) ?
C221 P2 Ag1 Br1 . . . . -145.07(13) ?
C211 P2 Ag1 Br1 . . . . -26.98(14) ?
C231 P2 Ag1 Br1 . . . . 94.02(15) ?
C321 P3 Ag1 P1 . . . . 161.70(13) ?
C311 P3 Ag1 P1 . . . . 43.83(17) ?
C331 P3 Ag1 P1 . . . . -77.53(13) ?
C321 P3 Ag1 P2 . . . . -62.71(14) ?
C311 P3 Ag1 P2 . . . . 179.41(16) ?
C331 P3 Ag1 P2 . . . . 58.06(13) ?
C321 P3 Ag1 Br1 . . . . 53.57(13) ?
C311 P3 Ag1 Br1 . . . . -64.30(16) ?
C331 P3 Ag1 Br1 . . . . 174.34(13) ?
C121 P1 C111 C116 . . . . 167.7(3) ?
C131 P1 C111 C116 . . . . -84.2(3) ?
Ag1 P1 C111 C116 . . . . 42.1(4) ?
C121 P1 C111 C112 . . . . -16.9(4) ?
C131 P1 C111 C112 . . . . 91.2(4) ?
Ag1 P1 C111 C112 . . . . -142.5(3) ?
C116 C111 C112 C113 . . . . -0.4(6) ?
P1 C111 C112 C113 . . . . -175.8(3) ?
C111 C112 C113 C114 . . . . 1.0(7) ?
C112 C113 C114 C115 . . . . -0.9(7) ?
C112 C113 C114 C117 . . . . 178.3(4) ?
C113 C114 C115 C116 . . . . 0.2(7) ?
C117 C114 C115 C116 . . . . -179.1(4) ?
C112 C111 C116 C115 . . . . -0.4(6) ?
P1 C111 C116 C115 . . . . 175.2(3) ?
C114 C115 C116 C111 . . . . 0.5(7) ?
C111 P1 C121 C122 . . . . 101.6(3) ?
C131 P1 C121 C122 . . . . -4.5(4) ?
Ag1 P1 C121 C122 . . . . -132.4(3) ?
C111 P1 C121 C126 . . . . -78.5(3) ?
C131 P1 C121 C126 . . . . 175.5(3) ?
Ag1 P1 C121 C126 . . . . 47.6(3) ?
C126 C121 C122 C123 . . . . -1.2(5) ?
P1 C121 C122 C123 . . . . 178.8(3) ?
C121 C122 C123 C124 . . . . 0.5(6) ?
C122 C123 C124 C125 . . . . 0.8(6) ?
C122 C123 C124 C127 . . . . -178.4(4) ?
C123 C124 C125 C126 . . . . -1.2(6) ?
C127 C124 C125 C126 . . . . 177.9(4) ?
C124 C125 C126 C121 . . . . 0.5(6) ?
C122 C121 C126 C125 . . . . 0.7(5) ?
P1 C121 C126 C125 . . . . -179.2(3) ?
C121 P1 C131 C132 . . . . -103.5(3) ?
C111 P1 C131 C132 . . . . 150.1(3) ?
Ag1 P1 C131 C132 . . . . 23.8(4) ?
C121 P1 C131 C136 . . . . 80.4(4) ?
C111 P1 C131 C136 . . . . -26.0(4) ?
Ag1 P1 C131 C136 . . . . -152.2(3) ?
C136 C131 C132 C133 . . . . 1.9(6) ?
P1 C131 C132 C133 . . . . -174.4(3) ?
C131 C132 C133 C134 . . . . 0.3(7) ?
C132 C133 C134 C135 . . . . -2.4(7) ?
C132 C133 C134 C137 . . . . 175.1(4) ?
C133 C134 C135 C136 . . . . 2.5(6) ?
C137 C134 C135 C136 . . . . -175.0(4) ?
C134 C135 C136 C131 . . . . -0.4(6) ?
C132 C131 C136 C135 . . . . -1.8(6) ?
P1 C131 C136 C135 . . . . 174.3(3) ?
C221 P2 C211 C212 . . . . -34.3(4) ?
C231 P2 C211 C212 . . . . 74.8(4) ?
Ag1 P2 C211 C212 . . . . -154.7(3) ?
C221 P2 C211 C216 . . . . 149.7(3) ?
C231 P2 C211 C216 . . . . -101.3(3) ?
Ag1 P2 C211 C216 . . . . 29.3(4) ?
C216 C211 C212 C213 . . . . -0.2(6) ?
P2 C211 C212 C213 . . . . -176.2(3) ?
C211 C212 C213 C214 . . . . 0.9(7) ?
C212 C213 C214 C215 . . . . -1.3(7) ?
C212 C213 C214 C217 . . . . -179.7(4) ?
C213 C214 C215 C216 . . . . 1.1(7) ?
C217 C214 C215 C216 . . . . 179.6(4) ?
C212 C211 C216 C215 . . . . 0.0(6) ?
P2 C211 C216 C215 . . . . 176.2(3) ?
C214 C215 C216 C211 . . . . -0.5(7) ?
C211 P2 C221 C222 . . . . 143.9(3) ?
C231 P2 C221 C222 . . . . 38.3(4) ?
Ag1 P2 C221 C222 . . . . -90.8(3) ?
C211 P2 C221 C226 . . . . -45.6(3) ?
C231 P2 C221 C226 . . . . -151.1(3) ?
Ag1 P2 C221 C226 . . . . 79.8(3) ?
C226 C221 C222 C223 . . . . 1.2(6) ?
P2 C221 C222 C223 . . . . 171.8(3) ?
C221 C222 C223 C224 . . . . -0.1(6) ?
C222 C223 C224 C225 . . . . -1.2(7) ?
C222 C223 C224 C227 . . . . 178.1(4) ?
C223 C224 C225 C226 . . . . 1.4(6) ?
C227 C224 C225 C226 . . . . -177.9(4) ?
C224 C225 C226 C221 . . . . -0.3(6) ?
C222 C221 C226 C225 . . . . -1.0(6) ?
P2 C221 C226 C225 . . . . -172.0(3) ?
C221 P2 C231 C232 . . . . 33.0(4) ?
C211 P2 C231 C232 . . . . -75.5(4) ?
Ag1 P2 C231 C232 . . . . 155.7(3) ?
C221 P2 C231 C236 . . . . -153.0(3) ?
C211 P2 C231 C236 . . . . 98.5(3) ?
Ag1 P2 C231 C236 . . . . -30.2(3) ?
C236 C231 C232 C233 . . . . -0.1(6) ?
P2 C231 C232 C233 . . . . 173.8(3) ?
C231 C232 C233 C234 . . . . -1.7(6) ?
C232 C233 C234 C235 . . . . 2.3(6) ?
C232 C233 C234 C237 . . . . -175.9(4) ?
C233 C234 C235 C236 . . . . -1.1(6) ?
C237 C234 C235 C236 . . . . 177.1(4) ?
C234 C235 C236 C231 . . . . -0.6(6) ?
C232 C231 C236 C235 . . . . 1.2(6) ?
P2 C231 C236 C235 . . . . -173.2(3) ?
C321 P3 C311 C312 . . . . 113.9(3) ?
C331 P3 C311 C312 . . . . 5.8(3) ?
Ag1 P3 C311 C312 . . . . -121.9(3) ?
C321 P3 C311 C316 . . . . -68.9(3) ?
C331 P3 C311 C316 . . . . -177.1(3) ?
Ag1 P3 C311 C316 . . . . 55.3(3) ?
C316 C311 C312 C313 . . . . 0.7(5) ?
P3 C311 C312 C313 . . . . 177.9(3) ?
C311 C312 C313 C314 . . . . -0.2(6) ?
C312 C313 C314 C315 . . . . -0.2(6) ?
C312 C313 C314 C317 . . . . -179.0(4) ?
C313 C314 C315 C316 . . . . 0.1(6) ?
C317 C314 C315 C316 . . . . 178.9(4) ?
C314 C315 C316 C311 . . . . 0.4(6) ?
C312 C311 C316 C315 . . . . -0.8(5) ?
P3 C311 C316 C315 . . . . -178.1(3) ?
C311 P3 C321 C326 . . . . 148.3(3) ?
C331 P3 C321 C326 . . . . -104.2(3) ?
Ag1 P3 C321 C326 . . . . 22.7(3) ?
C311 P3 C321 C322 . . . . -33.1(4) ?
C331 P3 C321 C322 . . . . 74.3(3) ?
Ag1 P3 C321 C322 . . . . -158.8(3) ?
C326 C321 C322 C323 . . . . 1.6(6) ?
P3 C321 C322 C323 . . . . -177.0(3) ?
C321 C322 C323 C324 . . . . -0.2(6) ?
C322 C323 C324 C325 . . . . 0.1(6) ?
C322 C323 C324 C327 . . . . -178.0(4) ?
C323 C324 C325 C326 . . . . -1.5(6) ?
C327 C324 C325 C326 . . . . 176.6(4) ?
C324 C325 C326 C321 . . . . 3.0(6) ?
C322 C321 C326 C325 . . . . -2.9(5) ?
P3 C321 C326 C325 . . . . 175.7(3) ?
C321 P3 C331 C336 . . . . 158.6(3) ?
C311 P3 C331 C336 . . . . -95.0(3) ?
Ag1 P3 C331 C336 . . . . 32.9(3) ?
C321 P3 C331 C332 . . . . -22.6(4) ?
C311 P3 C331 C332 . . . . 83.8(3) ?
Ag1 P3 C331 C332 . . . . -148.3(3) ?
C336 C331 C332 C333 . . . . 1.5(6) ?
P3 C331 C332 C333 . . . . -177.3(3) ?
C331 C332 C333 C334 . . . . 0.1(6) ?
C332 C333 C334 C335 . . . . -1.7(6) ?
C332 C333 C334 C337 . . . . 178.2(4) ?
C333 C334 C335 C336 . . . . 1.6(6) ?
C337 C334 C335 C336 . . . . -178.2(4) ?
C334 C335 C336 C331 . . . . -0.1(7) ?
C332 C331 C336 C335 . . . . -1.5(6) ?
P3 C331 C336 C335 . . . . 177.3(3) ?
