#------------------------------------------------------------------------------
#$Date: 2016-02-20 01:53:41 +0100 (Sat 20 de Feb de 2016) $
#$Revision: 176768 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/46/2104637.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_2104637
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         'C63 H63 Ag P3 1+, C3 H6 O, Cl O4 1-'
_chemical_formula_sum            'C66 H69 Ag Cl O5 P3'
_chemical_formula_weight         1178.44
_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            4
_cell_length_a                   19.8625(8)
_cell_length_b                   25.3785(9)
_cell_length_c                   11.6858(5)
_cell_measurement_reflns_used    7165
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.36
_cell_measurement_theta_min      1.3
_cell_volume                     5890.6(4)
_computing_cell_refinement       'Saint-Plus (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_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  'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0451
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            27027
_diffrn_reflns_theta_full        28.36
_diffrn_reflns_theta_max         28.36
_diffrn_reflns_theta_min         1.3
_exptl_absorpt_coefficient_mu    0.518
_exptl_absorpt_correction_T_max  0.8857
_exptl_absorpt_correction_T_min  0.8558
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        SADABS (Bruker, 2004)
;
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.329
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cuboid
_exptl_crystal_F_000             2456
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.096
_refine_diff_density_min         -0.951
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.08(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     704
_refine_ls_number_reflns         7691
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_gt           0.0397
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0647P)²+2.2152P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1091
_reflns_number_gt                6860
_reflns_number_total             7691
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ps5003.cif
_cod_data_source_block           III
_cod_database_code               2104637
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
Ag Ag1 0.770722(13) 0.128536(10) 0.80882(3) 0.01687(8) Uani d . 1 . .
P P1 0.68328(6) 0.19361(4) 0.75282(10) 0.0189(2) Uani d . 1 . .
P P2 0.88769(5) 0.15764(4) 0.84181(10) 0.0176(2) Uani d . 1 . .
P P3 0.73376(5) 0.03615(4) 0.79733(12) 0.0158(2) Uani d . 1 . .
Cl Cl1 0.61125(10) 0.13702(7) 0.27416(13) 0.0529(4) Uani d D 1 . .
O O01 0.5983(4) 0.1914(2) 0.3025(6) 0.097(2) Uani d D 1 A .
O O02A 0.5599(16) 0.1094(9) 0.326(3) 0.276(10) Uani d PD 0.25 A 1
O O03A 0.6685(18) 0.1280(10) 0.356(4) 0.099(4) Uani d PD 0.45 A 1
O O04A 0.601(2) 0.1331(14) 0.1553(12) 0.081(4) Uani d PD 0.25 A 1
O O02B 0.5557(7) 0.1097(6) 0.2960(9) 0.276(10) Uani d PD 0.75 A 2
O O03B 0.6677(14) 0.1250(9) 0.337(3) 0.099(4) Uani d PD 0.55 A 2
O O04B 0.6302(6) 0.1408(4) 0.1569(6) 0.081(4) Uani d PD 0.75 A 2
O O002 0.8646(2) 0.09024(18) 0.2722(4) 0.0477(11) Uani d . 1 . .
C C001 0.7852(4) 0.0803(4) 0.1257(6) 0.065(2) Uani d . 1 . .
H H01A 0.8062 0.0455 0.118 0.097 Uiso calc R 1 . .
H H01B 0.7873 0.0988 0.0522 0.097 Uiso calc R 1 . .
H H01C 0.738 0.0761 0.1487 0.097 Uiso calc R 1 . .
C C002 0.8221(3) 0.1117(3) 0.2152(5) 0.0439(15) Uani d . 1 . .
C C003 0.8067(4) 0.1688(3) 0.2271(8) 0.067(2) Uani d . 1 . .
H H03A 0.8393 0.1851 0.2791 0.1 Uiso calc R 1 . .
H H03B 0.7612 0.1731 0.2582 0.1 Uiso calc R 1 . .
H H03C 0.8094 0.1858 0.152 0.1 Uiso calc R 1 . .
C C111 0.6645(2) 0.24153(17) 0.8646(4) 0.0197(9) Uani d . 1 . .
C C112 0.6484(2) 0.29421(16) 0.8418(4) 0.0207(9) Uani d . 1 . .
H H112 0.6469 0.3064 0.765 0.025 Uiso calc R 1 . .
C C113 0.6345(2) 0.32867(18) 0.9308(4) 0.0226(9) Uani d . 1 . .
H H113 0.6238 0.3643 0.9141 0.027 Uiso calc R 1 . .
C C114 0.6360(2) 0.31173(18) 1.0452(4) 0.0192(9) Uani d . 1 . .
C C115 0.6516(2) 0.25909(19) 1.0665(4) 0.0235(10) Uani d . 1 . .
H H115 0.6522 0.2466 1.1431 0.028 Uiso calc R 1 . .
C C116 0.6663(2) 0.22468(19) 0.9775(4) 0.0251(10) Uani d . 1 . .
H H116 0.6777 0.1892 0.9942 0.03 Uiso calc R 1 . .
C C117 0.6187(3) 0.3491(2) 1.1413(5) 0.0315(11) Uani d . 1 . .
H H11A 0.5707 0.3461 1.1596 0.047 Uiso calc R 1 . .
H H11B 0.6287 0.3854 1.1176 0.047 Uiso calc R 1 . .
H H11C 0.6455 0.3403 1.209 0.047 Uiso calc R 1 . .
C C121 0.7123(2) 0.23286(18) 0.6316(4) 0.0215(9) Uani d . 1 . .
C C122 0.7756(2) 0.25563(19) 0.6419(5) 0.0272(11) Uani d . 1 . .
H H122 0.8 0.2522 0.7115 0.033 Uiso calc R 1 . .
C C123 0.8034(3) 0.2833(2) 0.5515(5) 0.0327(12) Uani d . 1 . .
H H123 0.8464 0.2991 0.5605 0.039 Uiso calc R 1 . .
C C124 0.7700(3) 0.2884(2) 0.4483(5) 0.0346(13) Uani d . 1 . .
C C125 0.7070(3) 0.2665(2) 0.4384(5) 0.0359(12) Uani d . 1 . .
H H125 0.6829 0.2703 0.3686 0.043 Uiso calc R 1 . .
C C126 0.6776(3) 0.2389(2) 0.5290(5) 0.0293(11) Uani d . 1 . .
H H126 0.6339 0.2242 0.5206 0.035 Uiso calc R 1 . .
C C127 0.8015(4) 0.3174(2) 0.3483(6) 0.0473(16) Uani d . 1 . .
H H12A 0.8183 0.2919 0.2923 0.071 Uiso calc R 1 . .
H H12B 0.839 0.3392 0.3758 0.071 Uiso calc R 1 . .
H H12C 0.7677 0.34 0.3121 0.071 Uiso calc R 1 . .
C C131 0.6018(2) 0.16513(17) 0.7151(4) 0.0217(9) Uani d . 1 . .
C C132 0.5478(2) 0.16802(17) 0.7900(4) 0.0232(10) Uani d . 1 . .
H H132 0.5521 0.1873 0.8593 0.028 Uiso calc R 1 . .
C C133 0.4873(3) 0.14277(19) 0.7641(5) 0.0275(10) Uani d . 1 . .
H H133 0.4508 0.1446 0.8166 0.033 Uiso calc R 1 . .
C C134 0.4798(2) 0.11505(19) 0.6630(5) 0.0278(11) Uani d . 1 . .
C C135 0.5334(2) 0.1125(2) 0.5873(5) 0.0272(10) Uani d . 1 . .
H H135 0.5284 0.0943 0.5168 0.033 Uiso calc R 1 . .
C C136 0.5949(2) 0.13659(18) 0.6143(5) 0.0249(10) Uani d . 1 . .
H H136 0.632 0.1334 0.5634 0.03 Uiso calc R 1 . .
C C137 0.4146(3) 0.0869(2) 0.6349(6) 0.0389(13) Uani d . 1 . .
H H13A 0.415 0.0517 0.6694 0.058 Uiso calc R 1 . .
H H13B 0.41 0.0836 0.5516 0.058 Uiso calc R 1 . .
H H13C 0.3765 0.1071 0.6653 0.058 Uiso calc R 1 . .
C C211 0.9184(2) 0.17807(17) 0.7017(4) 0.0187(9) Uani d . 1 . .
C C212 0.9609(2) 0.22019(19) 0.6857(4) 0.0235(10) Uani d . 1 . .
H H212 0.977 0.2392 0.7501 0.028 Uiso calc R 1 . .
C C213 0.9805(2) 0.2352(2) 0.5767(5) 0.0262(10) Uani d . 1 . .
H H213 1.0087 0.265 0.5671 0.031 Uiso calc R 1 . .
C C214 0.9591(3) 0.2068(2) 0.4806(4) 0.0283(11) Uani d . 1 . .
C C215 0.9176(2) 0.1640(2) 0.4973(4) 0.0275(10) Uani d . 1 . .
H H215 0.9033 0.1438 0.4333 0.033 Uiso calc R 1 . .
C C216 0.8964(2) 0.14999(18) 0.6059(4) 0.0222(9) Uani d . 1 . .
H H216 0.8667 0.121 0.6155 0.027 Uiso calc R 1 . .
C C217 0.9812(3) 0.2222(3) 0.3624(5) 0.0462(15) Uani d . 1 . .
H H21A 0.9699 0.1939 0.3086 0.069 Uiso calc R 1 . .
H H21B 1.0299 0.2281 0.3619 0.069 Uiso calc R 1 . .
H H21C 0.9581 0.2546 0.3394 0.069 Uiso calc R 1 . .
C C221 0.9494(2) 0.10948(17) 0.8932(4) 0.0183(8) Uani d . 1 . .
C C222 0.99060(18) 0.08134(15) 0.8180(5) 0.0193(8) Uani d . 1 . .
H H222 0.9898 0.0891 0.7385 0.023 Uiso calc R 1 . .
C C223 1.0329(2) 0.04185(17) 0.8596(4) 0.0228(9) Uani d . 1 . .
H H223 1.0612 0.0233 0.808 0.027 Uiso calc R 1 . .
C C224 1.0344(2) 0.02942(17) 0.9738(5) 0.0229(10) Uani d . 1 . .
C C225 0.9937(2) 0.05766(19) 1.0488(4) 0.0263(10) Uani d . 1 . .
H H225 0.9949 0.0498 1.1283 0.032 Uiso calc R 1 . .
C C226 0.9514(2) 0.0972(2) 1.0091(4) 0.0258(10) Uani d . 1 . .
H H226 0.9236 0.1159 1.0613 0.031 Uiso calc R 1 . .
C C227 1.0801(3) -0.0135(2) 1.0193(5) 0.0330(12) Uani d . 1 . .
H H22A 1.0986 -0.0337 0.9551 0.049 Uiso calc R 1 . .
H H22B 1.0542 -0.0371 1.0692 0.049 Uiso calc R 1 . .
H H22C 1.117 0.0024 1.0629 0.049 Uiso calc R 1 . .
C C231 0.8995(2) 0.21398(17) 0.9351(4) 0.0194(9) Uani d . 1 . .
C C232 0.9614(2) 0.22777(19) 0.9834(4) 0.0225(10) Uani d . 1 . .
H H232 0.9997 0.2061 0.9706 0.027 Uiso calc R 1 . .
C C233 0.9675(2) 0.27307(19) 1.0501(4) 0.0251(10) Uani d . 1 . .
H H233 1.0098 0.2814 1.0836 0.03 Uiso calc R 1 . .
C C234 0.9123(3) 0.30655(19) 1.0685(5) 0.0286(11) Uani d . 1 . .
C C235 0.8506(3) 0.29210(18) 1.0211(5) 0.0282(11) Uani d . 1 . .
H H235 0.8124 0.3138 1.0334 0.034 Uiso calc R 1 . .
C C236 0.8440(2) 0.24688(18) 0.9567(4) 0.0240(10) Uani d . 1 . .
H H236 0.8012 0.2378 0.9263 0.029 Uiso calc R 1 . .
C C237 0.9203(3) 0.3562(2) 1.1368(6) 0.0418(15) Uani d . 1 . .
H H23A 0.9671 0.3594 1.1626 0.063 Uiso calc R 1 . .
H H23B 0.8904 0.3551 1.2035 0.063 Uiso calc R 1 . .
H H23C 0.9087 0.3866 1.089 0.063 Uiso calc R 1 . .
C C311 0.7805(2) -0.01189(16) 0.8820(4) 0.0161(8) Uani d . 1 . .
C C312 0.7494(3) -0.04657(19) 0.9584(4) 0.0191(9) Uani d . 1 . .
H H312 0.702 -0.0455 0.969 0.023 Uiso calc R 1 . .
C C313 0.7883(2) -0.08271(18) 1.0189(4) 0.0233(9) Uani d . 1 . .
H H313 0.7669 -0.1063 1.0706 0.028 Uiso calc R 1 . .
C C314 0.8576(2) -0.08507(17) 1.0053(4) 0.0217(9) Uani d . 1 . .
C C315 0.8877(2) -0.05049(18) 0.9285(5) 0.0260(10) Uani d . 1 . .
H H315 0.935 -0.0519 0.9173 0.031 Uiso calc R 1 . .
C C316 0.8499(2) -0.01392(17) 0.8679(4) 0.0227(9) Uani d . 1 . .
H H316 0.8715 0.0098 0.8168 0.027 Uiso calc R 1 . .
C C317 0.8987(3) -0.1239(2) 1.0733(5) 0.0339(12) Uani d . 1 . .
H H31A 0.8937 -0.1164 1.1551 0.051 Uiso calc R 1 . .
H H31B 0.9462 -0.1207 1.0517 0.051 Uiso calc R 1 . .
H H31C 0.883 -0.1597 1.0573 0.051 Uiso calc R 1 . .
C C321 0.6463(2) 0.02764(16) 0.8391(4) 0.0181(9) Uani d . 1 . .
C C322 0.6021(2) -0.00361(19) 0.7785(4) 0.0241(10) Uani d . 1 . .
H H322 0.6173 -0.0224 0.7131 0.029 Uiso calc R 1 . .
C C323 0.5347(2) -0.00778(18) 0.8130(5) 0.0268(9) Uani d . 1 . .
H H323 0.5045 -0.0291 0.7701 0.032 Uiso calc R 1 . .
C C324 0.5114(2) 0.01883(18) 0.9087(4) 0.0236(10) Uani d . 1 . .
C C325 0.5571(2) 0.04928(19) 0.9704(4) 0.0265(10) Uani d . 1 . .
H H325 0.5423 0.067 1.0375 0.032 Uiso calc R 1 . .
C C326 0.6238(2) 0.05433(18) 0.9360(4) 0.0221(9) Uani d . 1 . .
H H326 0.654 0.0759 0.9784 0.027 Uiso calc R 1 . .
C C327 0.4383(3) 0.0164(2) 0.9431(6) 0.0366(13) Uani d . 1 . .
H H32A 0.435 0.0097 1.0255 0.055 Uiso calc R 1 . .
H H32B 0.4159 -0.0121 0.9012 0.055 Uiso calc R 1 . .
H H32C 0.4164 0.05 0.9249 0.055 Uiso calc R 1 . .
C C331 0.7400(2) 0.00972(18) 0.6533(4) 0.0192(9) Uani d . 1 . .
C C332 0.7468(3) -0.0444(2) 0.6325(4) 0.0227(10) Uani d . 1 . .
H H332 0.7489 -0.0684 0.6947 0.027 Uiso calc R 1 . .
C C333 0.7506(3) -0.0628(2) 0.5203(5) 0.0292(11) Uani d . 1 . .
H H333 0.7553 -0.0996 0.5073 0.035 Uiso calc R 1 . .
C C334 0.7475(3) -0.0292(2) 0.4280(4) 0.0293(11) Uani d . 1 . .
C C335 0.7400(2) 0.0243(2) 0.4486(5) 0.0290(11) Uani d . 1 . .
H H335 0.7366 0.048 0.3859 0.035 Uiso calc R 1 . .
C C336 0.7371(2) 0.0438(2) 0.5596(4) 0.0236(10) Uani d . 1 . .
H H336 0.7332 0.0807 0.5719 0.028 Uiso calc R 1 . .
C C337 0.7528(3) -0.0497(3) 0.3073(6) 0.0450(14) Uani d . 1 . .
H H33A 0.7972 -0.0411 0.276 0.067 Uiso calc R 1 . .
H H33B 0.7178 -0.0334 0.2599 0.067 Uiso calc R 1 . .
H H33C 0.7466 -0.088 0.3074 0.067 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'
O O 0.0106 0.006 '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'
Cl Cl 0.1484 0.1585 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P3 Ag1 P2 . . 125.07(4) ?
P3 Ag1 P1 . . 114.24(4) ?
P2 Ag1 P1 . . 120.01(4) ?
C111 P1 C121 . . 104.9(2) ?
C111 P1 C131 . . 104.8(2) ?
C121 P1 C131 . . 108.0(2) ?
C111 P1 Ag1 . . 113.45(15) ?
C121 P1 Ag1 . . 110.26(14) ?
C131 P1 Ag1 . . 114.83(14) ?
C231 P2 C211 . . 105.8(2) ?
C231 P2 C221 . . 104.0(2) ?
C211 P2 C221 . . 105.1(2) ?
C231 P2 Ag1 . . 116.88(15) ?
C211 P2 Ag1 . . 105.05(15) ?
C221 P2 Ag1 . . 118.75(14) ?
C331 P3 C321 . . 105.7(2) ?
C331 P3 C311 . . 102.8(2) ?
C321 P3 C311 . . 105.19(19) ?
C331 P3 Ag1 . . 112.46(15) ?
C321 P3 Ag1 . . 112.57(14) ?
C311 P3 Ag1 . . 117.08(14) ?
O02B Cl1 O03B . . 117.2(16) ?
O02B Cl1 O02A . . 15.1(17) ?
O03B Cl1 O02A . . 105(3) ?
O02B Cl1 O04A . . 91.8(14) ?
O03B Cl1 O04A . . 129(3) ?
O02A Cl1 O04A . . 106.9(17) ?
O02B Cl1 O04B . . 116.1(6) ?
O03B Cl1 O04B . . 108.4(19) ?
O02A Cl1 O04B . . 130.7(14) ?
O04A Cl1 O04B . . 25.0(17) ?
O02B Cl1 O01 . . 107.9(9) ?
O03B Cl1 O01 . . 103.6(10) ?
O02A Cl1 O01 . . 104.7(13) ?
O04A Cl1 O01 . . 105.5(16) ?
O04B Cl1 O01 . . 101.8(5) ?
O02B Cl1 O03A . . 115(2) ?
O03B Cl1 O03A . . 8(3) ?
O02A Cl1 O03A . . 102(2) ?
O04A Cl1 O03A . . 136(3) ?
O04B Cl1 O03A . . 115(2) ?
O01 Cl1 O03A . . 97.8(12) ?
C002 C001 H01A . . 109.5 ?
C002 C001 H01B . . 109.5 ?
H01A C001 H01B . . 109.5 ?
C002 C001 H01C . . 109.5 ?
H01A C001 H01C . . 109.5 ?
H01B C001 H01C . . 109.5 ?
O002 C002 C003 . . 122.1(6) ?
O002 C002 C001 . . 119.1(7) ?
C003 C002 C001 . . 118.7(7) ?
C002 C003 H03A . . 109.5 ?
C002 C003 H03B . . 109.5 ?
H03A C003 H03B . . 109.5 ?
C002 C003 H03C . . 109.5 ?
H03A C003 H03C . . 109.5 ?
H03B C003 H03C . . 109.5 ?
C116 C111 C112 . . 118.7(4) ?
C116 C111 P1 . . 118.1(3) ?
C112 C111 P1 . . 123.2(4) ?
C113 C112 C111 . . 120.3(4) ?
C113 C112 H112 . . 119.8 ?
C111 C112 H112 . . 119.8 ?
C112 C113 C114 . . 121.1(4) ?
C112 C113 H113 . . 119.4 ?
C114 C113 H113 . . 119.4 ?
C115 C114 C113 . . 117.9(4) ?
C115 C114 C117 . . 121.3(4) ?
C113 C114 C117 . . 120.7(4) ?
C116 C115 C114 . . 121.0(4) ?
C116 C115 H115 . . 119.5 ?
C114 C115 H115 . . 119.5 ?
C115 C116 C111 . . 120.8(4) ?
C115 C116 H116 . . 119.6 ?
C111 C116 H116 . . 119.6 ?
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 ?
C126 C121 C122 . . 118.5(5) ?
C126 C121 P1 . . 124.9(4) ?
C122 C121 P1 . . 116.5(4) ?
C123 C122 C121 . . 120.4(5) ?
C123 C122 H122 . . 119.8 ?
C121 C122 H122 . . 119.8 ?
C124 C123 C122 . . 121.5(5) ?
C124 C123 H123 . . 119.2 ?
C122 C123 H123 . . 119.2 ?
C125 C124 C123 . . 118.2(5) ?
C125 C124 C127 . . 120.4(6) ?
C123 C124 C127 . . 121.4(5) ?
C124 C125 C126 . . 121.2(6) ?
C124 C125 H125 . . 119.4 ?
C126 C125 H125 . . 119.4 ?
C121 C126 C125 . . 120.1(5) ?
C121 C126 H126 . . 119.9 ?
C125 C126 H126 . . 119.9 ?
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 . . 119.1(4) ?
C132 C131 P1 . . 120.8(4) ?
C136 C131 P1 . . 119.9(4) ?
C131 C132 C133 . . 120.4(5) ?
C131 C132 H132 . . 119.8 ?
C133 C132 H132 . . 119.8 ?
C134 C133 C132 . . 120.8(5) ?
C134 C133 H133 . . 119.6 ?
C132 C133 H133 . . 119.6 ?
C133 C134 C135 . . 119.1(5) ?
C133 C134 C137 . . 121.2(5) ?
C135 C134 C137 . . 119.7(5) ?
C134 C135 C136 . . 120.4(5) ?
C134 C135 H135 . . 119.8 ?
C136 C135 H135 . . 119.8 ?
C131 C136 C135 . . 120.2(5) ?
C131 C136 H136 . . 119.9 ?
C135 C136 H136 . . 119.9 ?
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 . . 118.6(4) ?
C212 C211 P2 . . 123.3(4) ?
C216 C211 P2 . . 118.1(3) ?
C211 C212 C213 . . 120.7(5) ?
C211 C212 H212 . . 119.6 ?
C213 C212 H212 . . 119.6 ?
C212 C213 C214 . . 120.7(5) ?
C212 C213 H213 . . 119.6 ?
C214 C213 H213 . . 119.6 ?
C215 C214 C213 . . 118.3(5) ?
C215 C214 C217 . . 120.6(5) ?
C213 C214 C217 . . 121.1(5) ?
C214 C215 C216 . . 120.9(5) ?
C214 C215 H215 . . 119.5 ?
C216 C215 H215 . . 119.5 ?
C215 C216 C211 . . 120.6(4) ?
C215 C216 H216 . . 119.7 ?
C211 C216 H216 . . 119.7 ?
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 ?
C226 C221 C222 . . 118.7(4) ?
C226 C221 P2 . . 119.2(3) ?
C222 C221 P2 . . 121.8(4) ?
C221 C222 C223 . . 120.1(5) ?
C221 C222 H222 . . 119.9 ?
C223 C222 H222 . . 119.9 ?
C224 C223 C222 . . 121.1(4) ?
C224 C223 H223 . . 119.4 ?
C222 C223 H223 . . 119.4 ?
C223 C224 C225 . . 118.8(4) ?
C223 C224 C227 . . 121.3(5) ?
C225 C224 C227 . . 119.8(5) ?
C226 C225 C224 . . 120.8(5) ?
C226 C225 H225 . . 119.6 ?
C224 C225 H225 . . 119.6 ?
C225 C226 C221 . . 120.4(5) ?
C225 C226 H226 . . 119.8 ?
C221 C226 H226 . . 119.8 ?
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 . . 117.9(4) ?
C232 C231 P2 . . 123.7(3) ?
C236 C231 P2 . . 118.3(4) ?
C233 C232 C231 . . 120.6(4) ?
C233 C232 H232 . . 119.7 ?
C231 C232 H232 . . 119.7 ?
C232 C233 C234 . . 121.1(5) ?
C232 C233 H233 . . 119.4 ?
C234 C233 H233 . . 119.4 ?
C235 C234 C233 . . 117.8(4) ?
C235 C234 C237 . . 121.7(5) ?
C233 C234 C237 . . 120.5(5) ?
C236 C235 C234 . . 121.3(4) ?
C236 C235 H235 . . 119.4 ?
C234 C235 H235 . . 119.4 ?
C235 C236 C231 . . 121.2(5) ?
C235 C236 H236 . . 119.4 ?
C231 C236 H236 . . 119.4 ?
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 ?
C316 C311 C312 . . 119.4(4) ?
C316 C311 P3 . . 117.8(3) ?
C312 C311 P3 . . 122.8(3) ?
C313 C312 C311 . . 119.6(5) ?
C313 C312 H312 . . 120.2 ?
C311 C312 H312 . . 120.2 ?
C314 C313 C312 . . 121.4(4) ?
C314 C313 H313 . . 119.3 ?
C312 C313 H313 . . 119.3 ?
C313 C314 C315 . . 118.3(4) ?
C313 C314 C317 . . 120.4(4) ?
C315 C314 C317 . . 121.3(4) ?
C316 C315 C314 . . 121.3(4) ?
C316 C315 H315 . . 119.4 ?
C314 C315 H315 . . 119.4 ?
C315 C316 C311 . . 120.1(4) ?
C315 C316 H316 . . 120 ?
C311 C316 H316 . . 120 ?
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 ?
C322 C321 C326 . . 119.5(4) ?
C322 C321 P3 . . 122.7(3) ?
C326 C321 P3 . . 117.8(3) ?
C321 C322 C323 . . 120.3(4) ?
C321 C322 H322 . . 119.9 ?
C323 C322 H322 . . 119.9 ?
C324 C323 C322 . . 120.9(5) ?
C324 C323 H323 . . 119.6 ?
C322 C323 H323 . . 119.6 ?
C323 C324 C325 . . 118.1(4) ?
C323 C324 C327 . . 121.1(5) ?
C325 C324 C327 . . 120.8(5) ?
C324 C325 C326 . . 121.4(5) ?
C324 C325 H325 . . 119.3 ?
C326 C325 H325 . . 119.3 ?
C325 C326 C321 . . 119.7(4) ?
C325 C326 H326 . . 120.1 ?
C321 C326 H326 . . 120.1 ?
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(5) ?
C336 C331 P3 . . 119.6(4) ?
C332 C331 P3 . . 121.9(4) ?
C333 C332 C331 . . 119.8(5) ?
C333 C332 H332 . . 120.1 ?
C331 C332 H332 . . 120.1 ?
C334 C333 C332 . . 121.7(5) ?
C334 C333 H333 . . 119.1 ?
C332 C333 H333 . . 119.1 ?
C333 C334 C335 . . 118.4(5) ?
C333 C334 C337 . . 121.1(5) ?
C335 C334 C337 . . 120.6(5) ?
C336 C335 C334 . . 121.1(5) ?
C336 C335 H335 . . 119.5 ?
C334 C335 H335 . . 119.5 ?
C335 C336 C331 . . 120.6(5) ?
C335 C336 H336 . . 119.7 ?
C331 C336 H336 . . 119.7 ?
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
Ag1 P3 . 2.4607(10) ?
Ag1 P2 . 2.4681(11) ?
Ag1 P1 . 2.4844(11) ?
P1 C111 . 1.823(5) ?
P1 C121 . 1.825(5) ?
P1 C131 . 1.827(5) ?
P2 C231 . 1.813(5) ?
P2 C211 . 1.823(5) ?
P2 C221 . 1.831(4) ?
P3 C331 . 1.816(5) ?
P3 C321 . 1.817(4) ?
P3 C311 . 1.824(4) ?
Cl1 O02B . 1.328(9) ?
Cl1 O03B . 1.376(14) ?
Cl1 O02A . 1.376(15) ?
Cl1 O04A . 1.407(15) ?
Cl1 O04B . 1.424(7) ?
Cl1 O01 . 1.443(5) ?
Cl1 O03A . 1.50(2) ?
O002 C002 . 1.205(8) ?
C001 C002 . 1.505(9) ?
C001 H01A . 0.98 ?
C001 H01B . 0.98 ?
C001 H01C . 0.98 ?
C002 C003 . 1.489(11) ?
C003 H03A . 0.98 ?
C003 H03B . 0.98 ?
C003 H03C . 0.98 ?
C111 C116 . 1.388(7) ?
C111 C112 . 1.400(6) ?
C112 C113 . 1.387(7) ?
C112 H112 . 0.95 ?
C113 C114 . 1.404(7) ?
C113 H113 . 0.95 ?
C114 C115 . 1.394(6) ?
C114 C117 . 1.510(7) ?
C115 C116 . 1.389(7) ?
C115 H115 . 0.95 ?
C116 H116 . 0.95 ?
C117 H11A . 0.98 ?
C117 H11B . 0.98 ?
C117 H11C . 0.98 ?
C121 C126 . 1.391(7) ?
C121 C122 . 1.389(7) ?
C122 C123 . 1.383(7) ?
C122 H122 . 0.95 ?
C123 C124 . 1.382(9) ?
C123 H123 . 0.95 ?
C124 C125 . 1.375(9) ?
C124 C127 . 1.517(8) ?
C125 C126 . 1.398(7) ?
C125 H125 . 0.95 ?
C126 H126 . 0.95 ?
C127 H12A . 0.98 ?
C127 H12B . 0.98 ?
C127 H12C . 0.98 ?
C131 C132 . 1.386(7) ?
C131 C136 . 1.390(7) ?
C132 C133 . 1.396(7) ?
C132 H132 . 0.95 ?
C133 C134 . 1.384(8) ?
C133 H133 . 0.95 ?
C134 C135 . 1.386(7) ?
C134 C137 . 1.515(7) ?
C135 C136 . 1.402(7) ?
C135 H135 . 0.95 ?
C136 H136 . 0.95 ?
C137 H13A . 0.98 ?
C137 H13B . 0.98 ?
C137 H13C . 0.98 ?
C211 C212 . 1.375(7) ?
C211 C216 . 1.396(6) ?
C212 C213 . 1.385(7) ?
C212 H212 . 0.95 ?
C213 C214 . 1.399(7) ?
C213 H213 . 0.95 ?
C214 C215 . 1.378(7) ?
C214 C217 . 1.501(7) ?
C215 C216 . 1.384(7) ?
C215 H215 . 0.95 ?
C216 H216 . 0.95 ?
C217 H21A . 0.98 ?
C217 H21B . 0.98 ?
C217 H21C . 0.98 ?
C221 C226 . 1.390(7) ?
C221 C222 . 1.397(6) ?
C222 C223 . 1.396(6) ?
C222 H222 . 0.95 ?
C223 C224 . 1.371(7) ?
C223 H223 . 0.95 ?
C224 C225 . 1.392(7) ?
C224 C227 . 1.515(6) ?
C225 C226 . 1.389(7) ?
C225 H225 . 0.95 ?
C226 H226 . 0.95 ?
C227 H22A . 0.98 ?
C227 H22B . 0.98 ?
C227 H22C . 0.98 ?
C231 C232 . 1.397(7) ?
C231 C236 . 1.406(6) ?
C232 C233 . 1.394(7) ?
C232 H232 . 0.95 ?
C233 C234 . 1.404(7) ?
C233 H233 . 0.95 ?
C234 C235 . 1.394(8) ?
C234 C237 . 1.501(7) ?
C235 C236 . 1.379(7) ?
C235 H235 . 0.95 ?
C236 H236 . 0.95 ?
C237 H23A . 0.98 ?
C237 H23B . 0.98 ?
C237 H23C . 0.98 ?
C311 C316 . 1.388(6) ?
C311 C312 . 1.399(6) ?
C312 C313 . 1.392(7) ?
C312 H312 . 0.95 ?
C313 C314 . 1.386(7) ?
C313 H313 . 0.95 ?
C314 C315 . 1.390(7) ?
C314 C317 . 1.507(7) ?
C315 C316 . 1.387(6) ?
C315 H315 . 0.95 ?
C316 H316 . 0.95 ?
C317 H31A . 0.98 ?
C317 H31B . 0.98 ?
C317 H31C . 0.98 ?
C321 C322 . 1.379(6) ?
C321 C326 . 1.393(6) ?
C322 C323 . 1.402(6) ?
C322 H322 . 0.95 ?
C323 C324 . 1.385(7) ?
C323 H323 . 0.95 ?
C324 C325 . 1.393(7) ?
C324 C327 . 1.509(7) ?
C325 C326 . 1.391(7) ?
C325 H325 . 0.95 ?
C326 H326 . 0.95 ?
C327 H32A . 0.98 ?
C327 H32B . 0.98 ?
C327 H32C . 0.98 ?
C331 C336 . 1.397(6) ?
C331 C332 . 1.401(7) ?
C332 C333 . 1.394(7) ?
C332 H332 . 0.95 ?
C333 C334 . 1.378(8) ?
C333 H333 . 0.95 ?
C334 C335 . 1.387(8) ?
C334 C337 . 1.507(8) ?
C335 C336 . 1.390(7) ?
C335 H335 . 0.95 ?
C336 H336 . 0.95 ?
C337 H33A . 0.98 ?
C337 H33B . 0.98 ?
C337 H33C . 0.98 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C003 H03B O03B . 0.98 2.41 3.24(4) 142.9
C215 H215 O002 . 0.95 2.45 3.396(7) 178.3
C335 H335 O03B . 0.95 2.45 3.206(15) 136.1
C217 H21B O01 4 0.98 2.55 3.272(9) 130.5
C116 H116 O04B 1_556 0.95 2.45 3.073(9) 122.8
C115 H115 O01 1_556 0.95 2.56 3.417(8) 149.5
C323 H323 O02B 2_655 0.95 2.39 3.155(8) 137.5
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
P3 Ag1 P1 C111 . . . . 122.57(16) ?
P2 Ag1 P1 C111 . . . . -66.41(16) ?
P3 Ag1 P1 C121 . . . . -120.16(18) ?
P2 Ag1 P1 C121 . . . . 50.86(19) ?
P3 Ag1 P1 C131 . . . . 2.06(19) ?
P2 Ag1 P1 C131 . . . . 173.08(18) ?
P3 Ag1 P2 C231 . . . . -140.49(17) ?
P1 Ag1 P2 C231 . . . . 49.53(18) ?
P3 Ag1 P2 C211 . . . . 102.62(15) ?
P1 Ag1 P2 C211 . . . . -67.37(15) ?
P3 Ag1 P2 C221 . . . . -14.47(19) ?
P1 Ag1 P2 C221 . . . . 175.55(17) ?
P2 Ag1 P3 C331 . . . . -87.84(16) ?
P1 Ag1 P3 C331 . . . . 82.65(15) ?
P2 Ag1 P3 C321 . . . . 152.92(16) ?
P1 Ag1 P3 C321 . . . . -36.58(17) ?
P2 Ag1 P3 C311 . . . . 30.84(18) ?
P1 Ag1 P3 C311 . . . . -158.67(16) ?
C121 P1 C111 C116 . . . . -155.7(4) ?
C131 P1 C111 C116 . . . . 90.7(4) ?
Ag1 P1 C111 C116 . . . . -35.3(4) ?
C121 P1 C111 C112 . . . . 24.3(4) ?
C131 P1 C111 C112 . . . . -89.3(4) ?
Ag1 P1 C111 C112 . . . . 144.7(3) ?
C116 C111 C112 C113 . . . . 0.0(7) ?
P1 C111 C112 C113 . . . . 179.9(3) ?
C111 C112 C113 C114 . . . . -0.2(7) ?
C112 C113 C114 C115 . . . . -0.2(7) ?
C112 C113 C114 C117 . . . . -178.1(4) ?
C113 C114 C115 C116 . . . . 1.0(7) ?
C117 C114 C115 C116 . . . . 178.9(4) ?
C114 C115 C116 C111 . . . . -1.3(7) ?
C112 C111 C116 C115 . . . . 0.8(7) ?
P1 C111 C116 C115 . . . . -179.2(4) ?
C111 P1 C121 C126 . . . . -111.9(4) ?
C131 P1 C121 C126 . . . . -0.6(5) ?
Ag1 P1 C121 C126 . . . . 125.6(4) ?
C111 P1 C121 C122 . . . . 71.9(4) ?
C131 P1 C121 C122 . . . . -176.7(4) ?
Ag1 P1 C121 C122 . . . . -50.6(4) ?
C126 C121 C122 C123 . . . . -0.5(7) ?
P1 C121 C122 C123 . . . . 176.0(4) ?
C121 C122 C123 C124 . . . . -1.1(8) ?
C122 C123 C124 C125 . . . . 1.9(8) ?
C122 C123 C124 C127 . . . . -178.3(5) ?
C123 C124 C125 C126 . . . . -1.3(8) ?
C127 C124 C125 C126 . . . . 178.9(5) ?
C122 C121 C126 C125 . . . . 1.1(7) ?
P1 C121 C126 C125 . . . . -175.0(4) ?
C124 C125 C126 C121 . . . . -0.3(8) ?
C111 P1 C131 C132 . . . . -20.7(4) ?
C121 P1 C131 C132 . . . . -132.1(4) ?
Ag1 P1 C131 C132 . . . . 104.4(3) ?
C111 P1 C131 C136 . . . . 164.4(4) ?
C121 P1 C131 C136 . . . . 53.0(4) ?
Ag1 P1 C131 C136 . . . . -70.4(4) ?
C136 C131 C132 C133 . . . . -0.3(7) ?
P1 C131 C132 C133 . . . . -175.2(4) ?
C131 C132 C133 C134 . . . . -0.8(7) ?
C132 C133 C134 C135 . . . . 0.2(7) ?
C132 C133 C134 C137 . . . . 179.1(5) ?
C133 C134 C135 C136 . . . . 1.5(7) ?
C137 C134 C135 C136 . . . . -177.4(5) ?
C132 C131 C136 C135 . . . . 2.0(7) ?
P1 C131 C136 C135 . . . . 177.0(4) ?
C134 C135 C136 C131 . . . . -2.7(7) ?
C231 P2 C211 C212 . . . . 19.0(5) ?
C221 P2 C211 C212 . . . . -90.7(4) ?
Ag1 P2 C211 C212 . . . . 143.3(4) ?
C231 P2 C211 C216 . . . . -159.7(4) ?
C221 P2 C211 C216 . . . . 90.6(4) ?
Ag1 P2 C211 C216 . . . . -35.5(4) ?
C216 C211 C212 C213 . . . . 1.3(7) ?
P2 C211 C212 C213 . . . . -177.4(4) ?
C211 C212 C213 C214 . . . . -2.0(8) ?
C212 C213 C214 C215 . . . . 0.6(7) ?
C212 C213 C214 C217 . . . . -178.8(5) ?
C213 C214 C215 C216 . . . . 1.3(8) ?
C217 C214 C215 C216 . . . . -179.3(5) ?
C214 C215 C216 C211 . . . . -1.9(7) ?
C212 C211 C216 C215 . . . . 0.6(7) ?
P2 C211 C216 C215 . . . . 179.4(4) ?
C231 P2 C221 C226 . . . . 51.2(4) ?
C211 P2 C221 C226 . . . . 162.2(4) ?
Ag1 P2 C221 C226 . . . . -80.7(4) ?
C231 P2 C221 C222 . . . . -134.4(4) ?
C211 P2 C221 C222 . . . . -23.4(4) ?
Ag1 P2 C221 C222 . . . . 93.6(4) ?
C226 C221 C222 C223 . . . . -0.2(6) ?
P2 C221 C222 C223 . . . . -174.6(3) ?
C221 C222 C223 C224 . . . . 0.9(6) ?
C222 C223 C224 C225 . . . . -1.3(7) ?
C222 C223 C224 C227 . . . . 179.8(4) ?
C223 C224 C225 C226 . . . . 1.1(7) ?
C227 C224 C225 C226 . . . . -180.0(5) ?
C224 C225 C226 C221 . . . . -0.5(8) ?
C222 C221 C226 C225 . . . . 0.0(7) ?
P2 C221 C226 C225 . . . . 174.6(4) ?
C211 P2 C231 C232 . . . . -78.9(4) ?
C221 P2 C231 C232 . . . . 31.5(5) ?
Ag1 P2 C231 C232 . . . . 164.6(4) ?
C211 P2 C231 C236 . . . . 98.5(4) ?
C221 P2 C231 C236 . . . . -151.0(4) ?
Ag1 P2 C231 C236 . . . . -18.0(4) ?
C236 C231 C232 C233 . . . . -0.5(7) ?
P2 C231 C232 C233 . . . . 177.0(4) ?
C231 C232 C233 C234 . . . . -1.4(8) ?
C232 C233 C234 C235 . . . . 2.1(8) ?
C232 C233 C234 C237 . . . . -177.7(5) ?
C233 C234 C235 C236 . . . . -1.0(8) ?
C237 C234 C235 C236 . . . . 178.8(5) ?
C234 C235 C236 C231 . . . . -0.9(8) ?
C232 C231 C236 C235 . . . . 1.6(7) ?
P2 C231 C236 C235 . . . . -176.0(4) ?
C331 P3 C311 C316 . . . . 70.1(4) ?
C321 P3 C311 C316 . . . . -179.5(4) ?
Ag1 P3 C311 C316 . . . . -53.7(4) ?
C331 P3 C311 C312 . . . . -109.2(4) ?
C321 P3 C311 C312 . . . . 1.2(4) ?
Ag1 P3 C311 C312 . . . . 127.0(4) ?
C316 C311 C312 C313 . . . . -0.3(7) ?
P3 C311 C312 C313 . . . . 179.0(4) ?
C311 C312 C313 C314 . . . . 0.2(7) ?
C312 C313 C314 C315 . . . . -0.5(7) ?
C312 C313 C314 C317 . . . . 178.9(5) ?
C313 C314 C315 C316 . . . . 0.9(7) ?
C317 C314 C315 C316 . . . . -178.4(5) ?
C314 C315 C316 C311 . . . . -1.0(8) ?
C312 C311 C316 C315 . . . . 0.7(7) ?
P3 C311 C316 C315 . . . . -178.7(4) ?
C331 P3 C321 C322 . . . . 12.9(4) ?
C311 P3 C321 C322 . . . . -95.4(4) ?
Ag1 P3 C321 C322 . . . . 136.0(4) ?
C331 P3 C321 C326 . . . . -166.7(3) ?
C311 P3 C321 C326 . . . . 85.0(4) ?
Ag1 P3 C321 C326 . . . . -43.6(4) ?
C326 C321 C322 C323 . . . . 1.1(7) ?
P3 C321 C322 C323 . . . . -178.5(4) ?
C321 C322 C323 C324 . . . . -0.6(7) ?
C322 C323 C324 C325 . . . . -0.8(7) ?
C322 C323 C324 C327 . . . . 177.3(5) ?
C323 C324 C325 C326 . . . . 1.8(7) ?
C327 C324 C325 C326 . . . . -176.3(5) ?
C324 C325 C326 C321 . . . . -1.3(7) ?
C322 C321 C326 C325 . . . . -0.1(7) ?
P3 C321 C326 C325 . . . . 179.5(4) ?
C321 P3 C331 C336 . . . . 97.6(4) ?
C311 P3 C331 C336 . . . . -152.3(3) ?
Ag1 P3 C331 C336 . . . . -25.6(4) ?
C321 P3 C331 C332 . . . . -81.5(4) ?
C311 P3 C331 C332 . . . . 28.5(4) ?
Ag1 P3 C331 C332 . . . . 155.3(4) ?
C336 C331 C332 C333 . . . . 0.0(7) ?
P3 C331 C332 C333 . . . . 179.2(4) ?
C331 C332 C333 C334 . . . . -0.1(8) ?
C332 C333 C334 C335 . . . . -0.6(8) ?
C332 C333 C334 C337 . . . . 179.0(5) ?
C333 C334 C335 C336 . . . . 1.6(8) ?
C337 C334 C335 C336 . . . . -178.1(5) ?
C334 C335 C336 C331 . . . . -1.8(7) ?
C332 C331 C336 C335 . . . . 1.0(7) ?
P3 C331 C336 C335 . . . . -178.3(4) ?
