#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/90/7009072.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_7009072
loop_
_publ_author_name
'Bowmaker, Graham A.'
'Hanna, John V.'
'Healy, Peter C.'
'Reid, Jason C.'
'Rickard, Clifton E. F.'
'White, Allan H.'
_publ_section_title
;
 Crystal structures and vibrational and solid-state (CPMAS) NMR
 spectroscopic studies in the tris(triphenylphosphine)-copper(I) and
 -silver(I) formate systems
;
_journal_issue                   5
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              753
_journal_paper_doi               10.1039/a908427d
_journal_year                    2000
_chemical_formula_analytical     'C56 H48 Ag O4 P3'
_chemical_formula_moiety         '[Ag(PPh3)3O2CH].HCO2H'
_chemical_formula_structural     '[(Ph3P)3Ag(OCHO)].HCOOH'
_chemical_formula_sum            'C56 H48 Ag O4 P3'
_chemical_formula_weight         985.79
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 94.93(4)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   15.960(10)
_cell_length_b                   22.24(2)
_cell_length_c                   13.881(6)
_cell_measurement_reflns_used    8
_cell_measurement_temperature    293
_cell_measurement_theta_max      15.1
_cell_measurement_theta_min      9.2
_cell_volume                     4909(6)
_computing_cell_refinement       'Enraf Nonius software'
_computing_data_collection       'Enraf Nonius software'
_computing_data_reduction        xtal
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  CAD4
_diffrn_measurement_method       '2θ-ω scans'
_diffrn_radiation_detector       'single counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_sigmaI/netI    0
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            11244
_diffrn_reflns_reduction_process 'perpendicular monochr Lp'
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.57
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  3600
_diffrn_standards_number         8
_exptl_absorpt_coefficient_mu    .547
_exptl_absorpt_correction_T_max  0.91
_exptl_absorpt_correction_T_min  0.84
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
 XTAL absorb                 
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_description       prism
_exptl_crystal_F_000             2032
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         .667
_refine_diff_density_min         -.407
_refine_ls_extinction_coef       .00000
_refine_ls_goodness_of_fit_all   1.392
_refine_ls_goodness_of_fit_ref   1.838
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           atomblock
_refine_ls_number_constraints    0
_refine_ls_number_parameters     669
_refine_ls_number_reflns         4612
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          .129
_refine_ls_R_factor_gt           .058
_refine_ls_shift/su_max          .084
_refine_ls_shift/su_mean         .002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         .072
_refine_ls_wR_factor_ref         .058
_reflns_d_resolution_high        .77
_reflns_d_resolution_low         12.9
_reflns_Friedel_coverage         0
_reflns_limit_h_max              20
_reflns_limit_h_min              -20
_reflns_limit_k_max              28
_reflns_limit_k_min              0
_reflns_limit_l_max              18
_reflns_limit_l_min              0
_reflns_number_gt                4612
_reflns_number_total             11244
_reflns_threshold_expression     'I    > 3.00 sig(I   )'
_cod_data_source_file            a908427d.txt
_cod_data_source_block           pnagf
_cod_original_sg_symbol_Hall     -p_2yn
_cod_original_sg_symbol_H-M      P_1_21/n_1
_cod_original_formula_sum        'C56 H48 Ag1 O4 P3'
_cod_database_code               7009072
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2+x,1/2-y,1/2+z
loop_
_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_calc_attached_atom
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag .24626(4) .13550(3) .10599(4) .0590(4) Uani ? ? 1.00000 ? ?
C0 .2953(6) .0009(4) .1597(10) .143(10) Uani ? ? 1.00000 ? ?
O1 .2917(6) .0280(4) .0943(7) .127(8) Uani ? ? .763(6) ? ?
O2 .2728(5) .0230(4) .2438(8) .135(8) Uani ? ? .763(6) ? ?
O1' .2425(15) .0397(11) .1479(16) .086(18) Uani ? ? .237(6) ? ?
O2' .3056(17) -.0446(11) .1827(18) .10(2) Uani ? ? .237(6) ? ?
P1 .29266(13) .15159(10) -.06164(14) .0566(13) Uani ? ? 1.00000 ? ?
C111 .2543(5) .0992(4) -.1564(5) .068(5) Uani ? ? 1.00000 ? ?
C112 .2563(11) .1073(8) -.2534(12) .077(11) Uani ? ? .50000 ? ?
C113 .2392(6) .0607(4) -.3177(6) .098(7) Uani ? ? 1.00000 ? ?
C114 .1909(16) .0108(13) -.291(2) .22(3) Uani ? ? .50000 ? ?
C115 .206(2) -.0031(12) -.1895(19) .23(3) Uani ? ? .50000 ? ?
C116 .2368(14) .0430(11) -.1251(13) .14(2) Uani ? ? .50000 ? ?
C112' .2839(10) .0977(8) -.2451(11) .068(11) Uani ? ? .50000 ? ?
C114' .1890(15) .0235(10) -.2998(12) .140(19) Uani ? ? .50000 ? ?
C115' .1434(13) .0300(9) -.2186(16) .121(17) Uani ? ? .50000 ? ?
C116' .1759(9) .0647(9) -.1437(12) .086(13) Uani ? ? .50000 ? ?
C121 .4066(4) .1446(3) -.0618(5) .055(5) Uani ? ? 1.00000 ? ?
C122 .4585(5) .1943(4) -.0465(6) .079(6) Uani ? ? 1.00000 ? ?
C123 .5455(5) .1881(5) -.0367(7) .105(8) Uani ? ? 1.00000 ? ?
C124 .5806(5) .1313(5) -.0452(7) .104(8) Uani ? ? 1.00000 ? ?
C125 .5300(6) .0828(4) -.0588(7) .096(7) Uani ? ? 1.00000 ? ?
C126 .4437(5) .0887(4) -.0678(6) .076(6) Uani ? ? 1.00000 ? ?
C131 .2690(5) .2242(3) -.1135(5) .059(5) Uani ? ? 1.00000 ? ?
C132 .2110(5) .2604(4) -.0703(6) .076(6) Uani ? ? 1.00000 ? ?
C133 .1868(6) .3156(5) -.1066(8) .108(8) Uani ? ? 1.00000 ? ?
C134 .2214(6) .3378(4) -.1869(7) .108(8) Uani ? ? 1.00000 ? ?
C135 .2792(7) .3024(4) -.2322(7) .107(8) Uani ? ? 1.00000 ? ?
C136 .3029(6) .2473(4) -.1947(6) .088(7) Uani ? ? 1.00000 ? ?
P2 .35622(13) .17256(11) .23474(14) .0573(13) Uani ? ? 1.00000 ? ?
C211 .4356(5) .1179(3) .2750(6) .063(5) Uani ? ? 1.00000 ? ?
C212 .4774(6) .0881(5) .2079(7) .108(8) Uani ? ? 1.00000 ? ?
C213 .5399(6) .0467(5) .2347(9) .129(9) Uani ? ? 1.00000 ? ?
C214 .5579(6) .0317(4) .3288(9) .128(9) Uani ? ? 1.00000 ? ?
C215 .5177(6) .0619(5) .3974(8) .115(9) Uani ? ? 1.00000 ? ?
C216 .4559(5) .1033(4) .3713(6) .087(7) Uani ? ? 1.00000 ? ?
C221 .3113(4) .1955(4) .3461(5) .058(5) Uani ? ? 1.00000 ? ?
C222 .2572(5) .1540(4) .3847(5) .067(5) Uani ? ? 1.00000 ? ?
C223 .2199(5) .1688(5) .4682(6) .095(7) Uani ? ? 1.00000 ? ?
C224 .2355(5) .2235(5) .5115(5) .093(7) Uani ? ? 1.00000 ? ?
C225 .2869(5) .2641(4) .4725(6) .079(6) Uani ? ? 1.00000 ? ?
C226 .3251(4) .2504(4) .3897(5) .064(5) Uani ? ? 1.00000 ? ?
C231 .4166(4) .2375(3) .2020(5) .056(5) Uani ? ? 1.00000 ? ?
C232 .3770(5) .2835(4) .1496(5) .071(6) Uani ? ? 1.00000 ? ?
C233 .4214(6) .3333(4) .1218(6) .089(7) Uani ? ? 1.00000 ? ?
C234 .5075(6) .3365(4) .1446(7) .097(7) Uani ? ? 1.00000 ? ?
C235 .5491(5) .2912(5) .1952(6) .094(7) Uani ? ? 1.00000 ? ?
C236 .5036(5) .2414(4) .2253(6) .076(6) Uani ? ? 1.00000 ? ?
P3 .09550(12) .15256(9) .13733(13) .0509(12) Uani ? ? 1.00000 ? ?
C311 .0576(4) .1222(3) .2484(5) .047(4) Uani ? ? 1.00000 ? ?
C312 .0838(5) .0667(4) .2778(6) .066(6) Uani ? ? 1.00000 ? ?
C313 .0526(5) .0391(4) .3581(6) .077(6) Uani ? ? 1.00000 ? ?
C314 -.0043(6) .0696(4) .4096(6) .084(6) Uani ? ? 1.00000 ? ?
C315 -.0283(6) .1255(4) .3806(6) .095(7) Uani ? ? 1.00000 ? ?
C316 .0019(6) .1528(4) .3007(6) .080(6) Uani ? ? 1.00000 ? ?
C321 .0195(4) .1223(3) .0445(5) .054(5) Uani ? ? 1.00000 ? ?
C322 .0360(13) .1161(9) -.0538(11) .113(15) Uani ? ? .50000 ? ?
C323 -.0223(15) .0913(10) -.1219(12) .127(18) Uani ? ? .50000 ? ?
C324 -.0901(6) .0747(4) -.1022(6) .097(7) Uani ? ? 1.00000 ? ?
C325 -.1125(10) .0702(9) -.0150(11) .092(13) Uani ? ? .50000 ? ?
C326 -.0560(8) .1025(7) .0645(11) .059(10) Uani ? ? .50000 ? ?
C322' .0216(10) .1457(7) -.0426(11) .066(10) Uani ? ? .50000 ? ?
C323' -.0300(10) .1245(7) -.1222(11) .070(11) Uani ? ? .50000 ? ?
C325' -.0936(14) .0648(14) -.0053(17) .20(3) Uani ? ? .50000 ? ?
C326' -.0395(11) .0753(7) .0598(11) .076(12) Uani ? ? .50000 ? ?
C331 .0695(4) .2315(3) .1439(5) .058(5) Uani ? ? 1.00000 ? ?
C332 .1263(5) .2691(4) .1936(6) .075(6) Uani ? ? 1.00000 ? ?
C333 .1104(6) .3291(4) .2044(7) .099(8) Uani ? ? 1.00000 ? ?
C334 .0368(7) .3534(4) .1663(7) .110(8) Uani ? ? 1.00000 ? ?
C335 -.0218(6) .3175(4) .1176(7) .105(8) Uani ? ? 1.00000 ? ?
C336 -.0057(6) .2576(4) .1040(6) .081(6) Uani ? ? 1.00000 ? ?
O11 .3073(6) -.0118(5) .4412(8) .298(14) Uani ? ? 1.00000 ? ?
O12 .2265(7) -.0599(5) .3759(8) .41(2) Uani ? ? 1.00000 ? ?
C1 .2518(7) -.0413(6) .4494(6) .260(17) Uani ? ? 1.00000 ? ?
H0 .31488 -.03941 .15771 .17860 Uiso ? ? 1.00000 ? ?
H112 .27044 .14609 -.27710 .09360 Uiso ? ? .50000 ? ?
H113 .25858 .06232 -.38071 .12100 Uiso ? ? 1.00000 ? ?
H114 .15412 -.01045 -.33242 .25670 Uiso ? ? .50000 ? ?
H115 .19889 -.04298 -.16650 .30800 Uiso ? ? .50000 ? ?
H116 .24474 .03427 -.05783 .18000 Uiso ? ? .50000 ? ?
H112' .33269 .11970 -.25862 .08440 Uiso ? ? .50000 ? ?
H114' .17927 -.01069 -.34135 .17700 Uiso ? ? .50000 ? ?
H115' .09010 .01008 -.21499 .14660 Uiso ? ? .50000 ? ?
H116' .14999 .06693 -.08449 .10800 Uiso ? ? .50000 ? ?
H122 .43433 .23330 -.04270 .09900 Uiso ? ? 1.00000 ? ?
H123 .58063 .22217 -.02451 .13200 Uiso ? ? 1.00000 ? ?
H124 .63995 .12668 -.04158 .13070 Uiso ? ? 1.00000 ? ?
H125 .55433 .04380 -.06179 .11970 Uiso ? ? 1.00000 ? ?
H126 .40921 .05400 -.07845 .09450 Uiso ? ? 1.00000 ? ?
H132 .18767 .24622 -.01362 .09400 Uiso ? ? 1.00000 ? ?
H133 .14594 .33847 -.07674 .13380 Uiso ? ? 1.00000 ? ?
H134 .20654 .37668 -.21110 .13080 Uiso ? ? 1.00000 ? ?
H135 .30167 .31658 -.28924 .13280 Uiso ? ? 1.00000 ? ?
H136 .34378 .22440 -.22508 .11100 Uiso ? ? 1.00000 ? ?
H212 .46327 .09596 .14101 .13360 Uiso ? ? 1.00000 ? ?
H213 .57088 .02863 .18672 .15880 Uiso ? ? 1.00000 ? ?
H214 .59717 .00091 .34746 .15630 Uiso ? ? 1.00000 ? ?
H215 .53256 .05426 .46411 .14280 Uiso ? ? 1.00000 ? ?
H216 .42691 .12226 .42008 .10960 Uiso ? ? 1.00000 ? ?
H222 .24606 .11617 .35398 .08390 Uiso ? ? 1.00000 ? ?
H223 .18346 .14086 .49536 .11810 Uiso ? ? 1.00000 ? ?
H224 .21037 .23322 .56915 .11600 Uiso ? ? 1.00000 ? ?
H225 .29650 .30225 .50240 .09880 Uiso ? ? 1.00000 ? ?
H226 .36079 .27901 .36302 .08040 Uiso ? ? 1.00000 ? ?
H232 .31816 .28101 .13215 .08890 Uiso ? ? 1.00000 ? ?
H233 .39270 .36525 .08712 .11100 Uiso ? ? 1.00000 ? ?
H234 .53793 .37044 .12492 .12150 Uiso ? ? 1.00000 ? ?
H235 .60846 .29341 .21015 .11810 Uiso ? ? 1.00000 ? ?
H236 .53215 .21022 .26171 .09400 Uiso ? ? 1.00000 ? ?
H312 .12417 .04621 .24332 .08380 Uiso ? ? 1.00000 ? ?
H313 .07036 -.00041 .37687 .09640 Uiso ? ? 1.00000 ? ?
H314 -.02600 .05164 .46440 .10500 Uiso ? ? 1.00000 ? ?
H315 -.06737 .14662 .41606 .12200 Uiso ? ? 1.00000 ? ?
H316 -.01550 .19247 .28227 .10100 Uiso ? ? 1.00000 ? ?
H322 .09227 .12936 -.07272 .13000 Uiso ? ? .50000 ? ?
H323 -.01069 .08876 -.18675 .15410 Uiso ? ? .50000 ? ?
H324 -.12961 .06370 -.15437 .11840 Uiso ? ? 1.00000 ? ?
H325 -.16195 .04777 -.00008 .11100 Uiso ? ? .50000 ? ?
H326 -.07494 .10946 .12590 .07160 Uiso ? ? .50000 ? ?
H322' .05301 .17937 -.05080 .08090 Uiso ? ? .50000 ? ?
H323' -.02451 .13971 -.18585 .08810 Uiso ? ? .50000 ? ?
H325' -.14373 .04888 .01293 .23070 Uiso ? ? .50000 ? ?
H326' -.03742 .05318 .11911 .09610 Uiso ? ? .50000 ? ?
H332 .17819 .25305 .22144 .09260 Uiso ? ? 1.00000 ? ?
H333 .15139 .35385 .23906 .12330 Uiso ? ? 1.00000 ? ?
H334 .02658 .39521 .17372 .13750 Uiso ? ? 1.00000 ? ?
H335 -.07416 .33427 .09292 .12930 Uiso ? ? 1.00000 ? ?
H336 -.04601 .23361 .06689 .09900 Uiso ? ? 1.00000 ? ?
H1 .77031 .04959 -.50926 .30700 Uiso ? ? 1.00000 ? ?
H12 .75424 .03645 -.32592 .59700 Uiso ? ? 1.00000 ? ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C ? 0 224 .002 .002 'Int. Tables Vol IV Tables 2.2B and 2.3.1'
O ? 0 16 .008 .006 'Int. Tables Vol IV Tables 2.2B and 2.3.1'
H ? 0 192 0 0 'Int. Tables Vol IV Tables 2.2B and 2.3.1'
Ag ? 0 4 -1.085 1.101 'Int. Tables Vol IV Tables 2.2B and 2.3.1'
P ? 0 12 .09 .095 'Int. Tables Vol IV Tables 2.2B and 2.3.1'
loop_
_diffrn_attenuator_code
_diffrn_attenuator_scale
? ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
0 10 0
0 -10 0
8 0 -8
-8 0 8
8 0 0
-8 0 0
0 0 10
0 0 -10
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_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 Ag O1' . . . 27.5(7) ?
O1 Ag P1 . . . 88.1(2) ?
O1 Ag P2 . . . 99.7(2) ?
O1 Ag P3 . . . 116.2(2) ?
O1' Ag P1 . . . 113.3(6) ?
O1' Ag P2 . . . 99.2(6) ?
O1' Ag P3 . . . 93.0(6) ?
P1 Ag P2 . . . 111.32(8) ?
P1 Ag P3 . . . 119.95(7) ?
P2 Ag P3 . . . 116.41(8) ?
O1 C0 O2 . . . 121.6(10) ?
O1 C0 O1' . . . 60.3(13) ?
O1 C0 O2' . . . 140(2) ?
O1 C0 H0 . . . 119.6(14) ?
O2 C0 O1' . . . 67.7(13) ?
O2 C0 O2' . . . 97.6(18) ?
O2 C0 H0 . . . 118.8(12) ?
O1' C0 O2' . . . 144(2) ?
O1' C0 H0 . . . 153.8(15) ?
O2' C0 H0 . . . 22.1(14) ?
Ag O1 C0 . . . 118.0(9) ?
Ag O1 O1' . . . 61.8(13) ?
C0 O1 O1' . . . 65.0(14) ?
C0 O2 O1' . . . 51.6(11) ?
C0 O2 O2' . . . 35.5(9) ?
O1' O2 O2' . . . 82.4(13) ?
Ag O1' C0 . . . 133.6(17) ?
Ag O1' O1 . . . 90.7(14) ?
Ag O1' O2 . . . 118.8(14) ?
C0 O1' O1 . . . 54.7(13) ?
C0 O1' O2 . . . 60.7(13) ?
O1 O1' O2 . . . 110.4(18) ?
C0 O2' O2 . . . 46.9(13) ?
C0 O2' H0 . . . 62(3) ?
O2 O2' H0 . . . 108(4) ?
Ag P1 C111 . . . 117.8(3) ?
Ag P1 C121 . . . 111.1(2) ?
Ag P1 C131 . . . 115.4(3) ?
C111 P1 C121 . . . 102.6(3) ?
C111 P1 C131 . . . 103.9(4) ?
C121 P1 C131 . . . 104.5(3) ?
P1 C111 C112 . . . 126.4(9) ?
P1 C111 C116 . . . 115.0(9) ?
P1 C111 C112' . . . 123.3(9) ?
P1 C111 C116' . . . 118.5(8) ?
C112 C111 C116 . . . 117.4(12) ?
C112 C111 C112' . . . 20.9(10) ?
C112 C111 C116' . . . 106.0(11) ?
C116 C111 C112' . . . 111.4(12) ?
C116 C111 C116' . . . 44.9(12) ?
C112' C111 C116' . . . 117.1(11) ?
C111 C112 C113 . . . 121.4(14) ?
C111 C112 C112' . . . 79(3) ?
C111 C112 H112 . . . 119.0(15) ?
C111 C112 H112' . . . 101.0(11) ?
C113 C112 C112' . . . 87(3) ?
C113 C112 H112 . . . 119.6(15) ?
C113 C112 H112' . . . 105.4(13) ?
C112' C112 H112 . . . 104(3) ?
C112' C112 H112' . . . 42(2) ?
H112 C112 H112' . . . 61.6(10) ?
C112 C113 C114 . . . 120.2(16) ?
C112 C113 C112' . . . 20.0(9) ?
C112 C113 C114' . . . 119.0(14) ?
C112 C113 H113 . . . 120.3(11) ?
C114 C113 C112' . . . 121.0(16) ?
C114 C113 C114' . . . 9.2(15) ?
C114 C113 H113 . . . 119.5(15) ?
C112' C113 C114' . . . 123.5(12) ?
C112' C113 H113 . . . 116.1(11) ?
C114' C113 H113 . . . 119.6(12) ?
C113 C114 C115 . . . 112(2) ?
C113 C114 C114' . . . 39(6) ?
C113 C114 C115' . . . 107(2) ?
C113 C114 H114 . . . 125(3) ?
C113 C114 H114' . . . 108(3) ?
C115 C114 C114' . . . 125(8) ?
C115 C114 C115' . . . 53(2) ?
C115 C114 H114 . . . 123(3) ?
C115 C114 H114' . . . 133(3) ?
C114' C114 C115' . . . 87(7) ?
C114' C114 H114 . . . 102(7) ?
C114' C114 H114' . . . 101(8) ?
C115' C114 H114 . . . 105(2) ?
C115' C114 H114' . . . 133(3) ?
H114 C114 H114' . . . 27.9(9) ?
C114 C115 C116 . . . 119(2) ?
C114 C115 C114' . . . 8.8(14) ?
C114 C115 C115' . . . 60.7(18) ?
C114 C115 C116' . . . 98(2) ?
C114 C115 H115 . . . 121(3) ?
C116 C115 C114' . . . 110(2) ?
C116 C115 C115' . . . 90(2) ?
C116 C115 C116' . . . 39.4(12) ?
C116 C115 H115 . . . 120(2) ?
C114' C115 C115' . . . 55.7(16) ?
C114' C115 C116' . . . 90.1(16) ?
C114' C115 H115 . . . 129(2) ?
C115' C115 C116' . . . 51.5(15) ?
C115' C115 H115 . . . 123(3) ?
C116' C115 H115 . . . 131(3) ?
C111 C116 C115 . . . 122.2(17) ?
C111 C116 C115' . . . 95.2(13) ?
C111 C116 C116' . . . 73.9(17) ?
C111 C116 H116 . . . 119(2) ?
C115 C116 C115' . . . 41.7(15) ?
C115 C116 C116' . . . 85(2) ?
C115 C116 H116 . . . 119(2) ?
C115' C116 C116' . . . 44.2(13) ?
C115' C116 H116 . . . 132(2) ?
C116' C116 H116 . . . 111(2) ?
C111 C112' C112 . . . 80(3) ?
C111 C112' C113 . . . 117.3(12) ?
C111 C112' H112 . . . 104.7(12) ?
C111 C112' H112' . . . 121.4(14) ?
C112 C112' C113 . . . 73(3) ?
C112 C112' H112 . . . 52(3) ?
C112 C112' H112' . . . 118(3) ?
C113 C112' H112 . . . 101.2(11) ?
C113 C112' H112' . . . 121.3(14) ?
H112 C112' H112' . . . 65.3(10) ?
C113 C114' C114 . . . 132(7) ?
C113 C114' C115 . . . 112.7(18) ?
C113 C114' C115' . . . 120.0(18) ?
C113 C114' H114 . . . 140.5(18) ?
C113 C114' H114' . . . 120(2) ?
C114 C114' C115 . . . 46(7) ?
C114 C114' C115' . . . 80(7) ?
C114 C114' H114 . . . 61(6) ?
C114 C114' H114' . . . 60(7) ?
C115 C114' C115' . . . 48.7(15) ?
C115 C114' H114 . . . 100.7(18) ?
C115 C114' H114' . . . 106.3(19) ?
C115' C114' H114 . . . 98(2) ?
C115' C114' H114' . . . 120(2) ?
H114 C114' H114' . . . 24.9(5) ?
C114 C115' C115 . . . 66(2) ?
C114 C115' C116 . . . 95.6(17) ?
C114 C115' C114' . . . 12.6(15) ?
C114 C115' C116' . . . 122(2) ?
C114 C115' H115' . . . 116(2) ?
C115 C115' C116 . . . 48.0(15) ?
C115 C115' C114' . . . 75.6(19) ?
C115 C115' C116' . . . 81.4(18) ?
C115 C115' H115' . . . 113(2) ?
C116 C115' C114' . . . 97.6(15) ?
C116 C115' C116' . . . 34.1(11) ?
C116 C115' H115' . . . 132(2) ?
C114' C115' C116' . . . 118.9(19) ?
C114' C115' H115' . . . 121(2) ?
C116' C115' H115' . . . 120(2) ?
C111 C116' C115 . . . 98.5(14) ?
C111 C116' C116 . . . 61.2(14) ?
C111 C116' C115' . . . 118.1(15) ?
C111 C116' H116' . . . 120.4(15) ?
C115 C116' C116 . . . 55.5(17) ?
C115 C116' C115' . . . 47.1(14) ?
C115 C116' H116' . . . 121.3(18) ?
C116 C116' C115' . . . 102(2) ?
C116 C116' H116' . . . 105.2(18) ?
C115' C116' H116' . . . 121.5(17) ?
P1 C121 C122 . . . 120.9(6) ?
P1 C121 C126 . . . 120.6(6) ?
C122 C121 C126 . . . 118.2(7) ?
C121 C122 C123 . . . 120.9(8) ?
C121 C122 H122 . . . 119.7(7) ?
C123 C122 H122 . . . 119.4(8) ?
C122 C123 C124 . . . 119.2(9) ?
C122 C123 H123 . . . 120.4(10) ?
C124 C123 H123 . . . 120.3(9) ?
C123 C124 C125 . . . 119.8(8) ?
C123 C124 H124 . . . 120.0(10) ?
C125 C124 H124 . . . 120.1(10) ?
C124 C125 C126 . . . 121.1(9) ?
C124 C125 H125 . . . 119.5(9) ?
C126 C125 H125 . . . 119.4(9) ?
C121 C126 C125 . . . 120.7(8) ?
C121 C126 H126 . . . 119.5(8) ?
C125 C126 H126 . . . 119.8(9) ?
P1 C131 C132 . . . 118.0(6) ?
P1 C131 C136 . . . 125.1(6) ?
C132 C131 C136 . . . 116.9(7) ?
C131 C132 C133 . . . 122.2(8) ?
C131 C132 H132 . . . 118.9(8) ?
C133 C132 H132 . . . 118.9(9) ?
C132 C133 C134 . . . 120.0(9) ?
C132 C133 H133 . . . 120.1(10) ?
C134 C133 H133 . . . 119.9(10) ?
C133 C134 C135 . . . 119.1(9) ?
C133 C134 H134 . . . 120.5(10) ?
C135 C134 H134 . . . 120.4(10) ?
C134 C135 C136 . . . 120.1(9) ?
C134 C135 H135 . . . 119.8(10) ?
C136 C135 H135 . . . 120.0(10) ?
C131 C136 C135 . . . 121.6(9) ?
C131 C136 H136 . . . 119.2(9) ?
C135 C136 H136 . . . 119.1(9) ?
Ag P2 C211 . . . 115.1(3) ?
Ag P2 C221 . . . 112.9(2) ?
Ag P2 C231 . . . 115.6(2) ?
C211 P2 C221 . . . 103.9(4) ?
C211 P2 C231 . . . 103.8(4) ?
C221 P2 C231 . . . 104.2(4) ?
P2 C211 C212 . . . 119.2(6) ?
P2 C211 C216 . . . 123.7(6) ?
C212 C211 C216 . . . 117.1(8) ?
C211 C212 C213 . . . 121.6(9) ?
C211 C212 H212 . . . 119.1(9) ?
C213 C212 H212 . . . 119.2(10) ?
C212 C213 C214 . . . 120.6(10) ?
C212 C213 H213 . . . 119.9(11) ?
C214 C213 H213 . . . 119.4(10) ?
C213 C214 C215 . . . 118.5(9) ?
C213 C214 H214 . . . 121.3(12) ?
C215 C214 H214 . . . 120.1(12) ?
C214 C215 C216 . . . 120.9(10) ?
C214 C215 H215 . . . 119.7(10) ?
C216 C215 H215 . . . 119.4(10) ?
C211 C216 C215 . . . 121.0(9) ?
C211 C216 H216 . . . 119.6(8) ?
C215 C216 H216 . . . 119.4(9) ?
P2 C221 C222 . . . 115.9(6) ?
P2 C221 C226 . . . 124.1(6) ?
C222 C221 C226 . . . 119.9(7) ?
C221 C222 C223 . . . 119.0(8) ?
C221 C222 H222 . . . 120.5(7) ?
C223 C222 H222 . . . 120.5(8) ?
C222 C223 C224 . . . 120.1(8) ?
C222 C223 H223 . . . 119.8(10) ?
C224 C223 H223 . . . 120.0(9) ?
C223 C224 C225 . . . 120.5(8) ?
C223 C224 H224 . . . 119.8(9) ?
C225 C224 H224 . . . 119.8(10) ?
C224 C225 C226 . . . 120.5(8) ?
C224 C225 H225 . . . 119.8(8) ?
C226 C225 H225 . . . 119.7(8) ?
C221 C226 C225 . . . 119.9(7) ?
C221 C226 H226 . . . 120.2(7) ?
C225 C226 H226 . . . 119.9(8) ?
P2 C231 C232 . . . 119.6(6) ?
P2 C231 C236 . . . 122.0(6) ?
C232 C231 C236 . . . 118.4(7) ?
C231 C232 C233 . . . 121.2(7) ?
C231 C232 H232 . . . 119.3(8) ?
C233 C232 H232 . . . 119.5(8) ?
C232 C233 C234 . . . 119.9(8) ?
C232 C233 H233 . . . 120.0(9) ?
C234 C233 H233 . . . 120.1(9) ?
C233 C234 C235 . . . 120.6(9) ?
C233 C234 H234 . . . 119.8(9) ?
C235 C234 H234 . . . 119.6(9) ?
C234 C235 C236 . . . 119.4(8) ?
C234 C235 H235 . . . 120.3(10) ?
C236 C235 H235 . . . 120.3(9) ?
C231 C236 C235 . . . 120.5(8) ?
C231 C236 H236 . . . 119.8(8) ?
C235 C236 H236 . . . 119.7(8) ?
Ag P3 C311 . . . 118.7(2) ?
Ag P3 C321 . . . 114.3(2) ?
Ag P3 C331 . . . 112.5(3) ?
C311 P3 C321 . . . 102.2(3) ?
C311 P3 C331 . . . 102.8(3) ?
C321 P3 C331 . . . 104.7(3) ?
P3 C311 C312 . . . 118.3(6) ?
P3 C311 C316 . . . 122.4(6) ?
C312 C311 C316 . . . 119.3(7) ?
C311 C312 C313 . . . 121.2(7) ?
C311 C312 H312 . . . 119.4(8) ?
C313 C312 H312 . . . 119.4(8) ?
C312 C313 C314 . . . 119.4(8) ?
C312 C313 H313 . . . 120.3(8) ?
C314 C313 H313 . . . 120.4(8) ?
C313 C314 C315 . . . 118.7(8) ?
C313 C314 H314 . . . 120.6(9) ?
C315 C314 H314 . . . 120.7(9) ?
C314 C315 C316 . . . 122.1(9) ?
C314 C315 H315 . . . 118.8(9) ?
C316 C315 H315 . . . 119.1(9) ?
C311 C316 C315 . . . 119.3(8) ?
C311 C316 H316 . . . 120.3(8) ?
C315 C316 H316 . . . 120.4(9) ?
P3 C321 C322 . . . 123.3(9) ?
P3 C321 C326 . . . 122.3(8) ?
P3 C321 C322' . . . 115.7(8) ?
P3 C321 C326' . . . 124.8(8) ?
C322 C321 C326 . . . 114.4(11) ?
C322 C321 C322' . . . 30.2(10) ?
C322 C321 C326' . . . 104.5(11) ?
C326 C321 C322' . . . 114.6(10) ?
C326 C321 C326' . . . 27.6(9) ?
C322' C321 C326' . . . 119.5(10) ?
C321 C322 C323 . . . 121.8(17) ?
C321 C322 C322' . . . 67.3(17) ?
C321 C322 C323' . . . 117.3(16) ?
C321 C322 H322 . . . 117.9(15) ?
C321 C322 H322' . . . 85.8(10) ?
C323 C322 C322' . . . 108(2) ?
C323 C322 C323' . . . 31.5(12) ?
C323 C322 H322 . . . 120.3(16) ?
C323 C322 H322' . . . 121.7(15) ?
C322' C322 C323' . . . 78(2) ?
C322' C322 H322 . . . 95(2) ?
C322' C322 H322' . . . 32.5(16) ?
C323' C322 H322 . . . 115.6(15) ?
C323' C322 H322' . . . 91.1(13) ?
H322 C322 H322' . . . 63.0(11) ?
C322 C323 C324 . . . 122.3(16) ?
C322 C323 C322' . . . 23.2(10) ?
C322 C323 C323' . . . 73(2) ?
C322 C323 H323 . . . 120(2) ?
C322 C323 H323' . . . 96.1(16) ?
C324 C323 C322' . . . 113.1(15) ?
C324 C323 C323' . . . 99(3) ?
C324 C323 H323 . . . 117(2) ?
C324 C323 H323' . . . 114.3(17) ?
C322' C323 C323' . . . 51.4(17) ?
C322' C323 H323 . . . 123(2) ?
C322' C323 H323' . . . 81.6(12) ?
C323' C323 H323 . . . 96(2) ?
C323' C323 H323' . . . 40.5(15) ?
H323 C323 H323' . . . 55.3(10) ?
C323 C324 C325 . . . 124.5(13) ?
C323 C324 C323' . . . 29.3(12) ?
C323 C324 C325' . . . 112.9(14) ?
C323 C324 H324 . . . 117.2(12) ?
C325 C324 C323' . . . 117.5(12) ?
C325 C324 C325' . . . 14.4(12) ?
C325 C324 H324 . . . 118.3(11) ?
C323' C324 C325' . . . 112.3(14) ?
C323' C324 H324 . . . 116.0(9) ?
C325' C324 H324 . . . 128.9(14) ?
C324 C325 C326 . . . 116.2(14) ?
C324 C325 C325' . . . 95(5) ?
C324 C325 C326' . . . 112.4(14) ?
C324 C325 H325 . . . 122.3(15) ?
C324 C325 H325' . . . 136.4(19) ?
C326 C325 C325' . . . 56(6) ?
C326 C325 C326' . . . 25.3(8) ?
C326 C325 H325 . . . 121.5(14) ?
C326 C325 H325' . . . 106.0(15) ?
C325' C325 C326' . . . 31(5) ?
C325' C325 H325 . . . 116(6) ?
C325' C325 H325' . . . 99(6) ?
C326' C325 H325 . . . 119.3(15) ?
C326' C325 H325' . . . 100.7(15) ?
H325 C325 H325' . . . 18.7(4) ?
C321 C326 C325 . . . 119.2(12) ?
C321 C326 C325' . . . 113.6(15) ?
C321 C326 C326' . . . 85(2) ?
C321 C326 H326 . . . 120.0(13) ?
C321 C326 H326' . . . 103.0(9) ?
C325 C326 C325' . . . 11.8(13) ?
C325 C326 C326' . . . 74(2) ?
C325 C326 H326 . . . 120.8(13) ?
C325 C326 H326' . . . 96.3(11) ?
C325' C326 C326' . . . 62(2) ?
C325' C326 H326 . . . 125.6(17) ?
C325' C326 H326' . . . 87.8(15) ?
C326' C326 H326 . . . 114(2) ?
C326' C326 H326' . . . 41.2(16) ?
H326 C326 H326' . . . 72.4(9) ?
C321 C322' C322 . . . 82.6(18) ?
C321 C322' C323 . . . 105.3(11) ?
C321 C322' C323' . . . 121.9(13) ?
C321 C322' H322 . . . 106.2(11) ?
C321 C322' H322' . . . 119.7(14) ?
C322 C322' C323 . . . 49.1(18) ?
C322 C322' C323' . . . 72.4(19) ?
C322 C322' H322 . . . 50.8(19) ?
C322 C322' H322' . . . 122(3) ?
C323 C322' C323' . . . 24.6(10) ?
C323 C322' H322 . . . 85.1(11) ?
C323 C322' H322' . . . 133.3(15) ?
C323' C322' H322 . . . 97.0(12) ?
C323' C322' H322' . . . 118.0(15) ?
H322 C322' H322' . . . 71.7(10) ?
C322 C323' C323 . . . 75(2) ?
C322 C323' C324 . . . 103.6(13) ?
C322 C323' C322' . . . 30.0(11) ?
C322 C323' H323 . . . 100.7(13) ?
C322 C323' H323' . . . 124.2(17) ?
C323 C323' C324 . . . 52(2) ?
C323 C323' C322' . . . 104(2) ?
C323 C323' H323 . . . 47.9(16) ?
C323 C323' H323' . . . 109(2) ?
C324 C323' C322' . . . 116.2(12) ?
C324 C323' H323 . . . 82.3(9) ?
C324 C323' H323' . . . 122.8(13) ?
C322' C323' H323 . . . 127.7(14) ?
C322' C323' H323' . . . 120.9(15) ?
H323 C323' H323' . . . 61.2(8) ?
C324 C325' C325 . . . 70(5) ?
C324 C325' C326 . . . 123(2) ?
C324 C325' C326' . . . 128(2) ?
C324 C325' H325 . . . 103.3(17) ?
C324 C325' H325' . . . 116(2) ?
C325 C325' C326 . . . 112(6) ?
C325 C325' C326' . . . 141(7) ?
C325 C325' H325 . . . 48(5) ?
C325 C325' H325' . . . 59(5) ?
C326 C325' C326' . . . 28.9(11) ?
C326 C325' H325 . . . 121(2) ?
C326 C325' H325' . . . 112(2) ?
C326' C325' H325 . . . 129(2) ?
C326' C325' H325' . . . 116(2) ?
H325 C325' H325' . . . 12.9(4) ?
C321 C326' C325 . . . 115.8(13) ?
C321 C326' C326 . . . 67.9(18) ?
C321 C326' C325' . . . 117.6(18) ?
C321 C326' H326 . . . 90.5(9) ?
C321 C326' H326' . . . 121.8(14) ?
C325 C326' C326 . . . 81(2) ?
C325 C326' C325' . . . 8.3(16) ?
C325 C326' H326 . . . 99.6(13) ?
C325 C326' H326' . . . 121.6(16) ?
C326 C326' C325' . . . 89(2) ?
C326 C326' H326 . . . 39.6(16) ?
C326 C326' H326' . . . 112(2) ?
C325' C326' H326 . . . 107.4(18) ?
C325' C326' H326' . . . 121(2) ?
H326 C326' H326' . . . 71.9(10) ?
P3 C331 C332 . . . 118.2(6) ?
P3 C331 C336 . . . 125.1(6) ?
C332 C331 C336 . . . 116.7(7) ?
C331 C332 C333 . . . 121.9(8) ?
C331 C332 H332 . . . 119.1(8) ?
C333 C332 H332 . . . 118.9(8) ?
C332 C333 C334 . . . 120.4(9) ?
C332 C333 H333 . . . 119.5(9) ?
C334 C333 H333 . . . 120.1(9) ?
C333 C334 C335 . . . 119.6(9) ?
C333 C334 H334 . . . 119.8(10) ?
C335 C334 H334 . . . 120.6(10) ?
C334 C335 C336 . . . 120.5(9) ?
C334 C335 H335 . . . 119.5(10) ?
C336 C335 H335 . . . 120.0(9) ?
C331 C336 C335 . . . 120.8(8) ?
C331 C336 H336 . . . 119.7(8) ?
C335 C336 H336 . . . 119.5(9) ?
O12 O11 C1 . . . 35.4(6) ?
O11 O12 C1 . . . 34.5(8) ?
O11 O12 H12 . . '3 655' 77.5(8) ?
C1 O12 H12 . . '3 655' 110.3(12) ?
O11 C1 O12 . . . 110.2(11) ?
O11 C1 H1 . . '3 655' 124.2(11) ?
O12 C1 H1 . . '3 655' 125.7(13) ?
C0 H0 O2' . . . 96(4) ?
C112 H112 C112' . . . 24.1(12) ?
C114 H114 C114' . . . 17(2) ?
C114 H114 H114' . . . 67.7(18) ?
C114' H114 H114' . . . 69.5(13) ?
C112 H112' C112' . . . 20.4(12) ?
C114 H114' C114' . . . 18(2) ?
C114 H114' H114 . . . 84.3(18) ?
C114' H114' H114 . . . 85.6(15) ?
C322 H322 C322' . . . 33.8(13) ?
C323 H323 C323' . . . 36.3(15) ?
C325 H325 C325' . . . 15.3(17) ?
C325 H325 H325' . . . 52.0(9) ?
C325' H325 H325' . . . 38.9(12) ?
C326 H326 C326' . . . 26.8(11) ?
C322 H322' C322' . . . 25.0(13) ?
C323 H323' C323' . . . 30.4(12) ?
C325 H325' C325' . . . 21(2) ?
C325 H325' H325 . . . 109.3(11) ?
C325' H325' H325 . . . 128.2(15) ?
C326 H326' C326' . . . 27.3(12) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag O1 . . 2.507(9) ?
Ag O1' . . 2.21(2) ?
Ag P1 . . 2.527(2) ?
Ag P2 . . 2.533(2) ?
Ag P3 . . 2.511(3) ?
C0 O1 . . 1.087(16) ?
C0 O2 . . 1.344(17) ?
C0 O1' . . 1.21(3) ?
C0 O2' . . 1.07(3) ?
C0 H0 . . .951(10) ?
O1 O1' . . 1.16(3) ?
O2 O1' . . 1.43(2) ?
O2 O2' . . 1.82(3) ?
O2' H0 . . .41(3) ?
P1 C111 . . 1.823(8) ?
P1 C121 . . 1.825(7) ?
P1 C131 . . 1.795(8) ?
C111 C112 . . 1.362(18) ?
C111 C116 . . 1.36(2) ?
C111 C112' . . 1.357(17) ?
C111 C116' . . 1.491(18) ?
C112 C113 . . 1.38(2) ?
C112 C112' . . .49(2) ?
C112 H112 . . .957(18) ?
C112 H112' . . 1.258(17) ?
C113 C114 . . 1.42(3) ?
C113 C112' . . 1.441(18) ?
C113 C114' . . 1.19(3) ?
C113 H113 . . .953(9) ?
C114 C115 . . 1.45(4) ?
C114 C114' . . .31(4) ?
C114 C115' . . 1.38(4) ?
C114 H114 . . .91(3) ?
C114 H114' . . .85(3) ?
C115 C116 . . 1.42(3) ?
C115 C114' . . 1.64(3) ?
C115 C115' . . 1.27(4) ?
C115 C116' . . 1.72(3) ?
C115 H115 . . .95(3) ?
C116 C115' . . 1.91(3) ?
C116 C116' . . 1.10(3) ?
C116 H116 . . .951(19) ?
C112' H112 . . 1.176(16) ?
C112' H112' . . .951(16) ?
C114' C115' . . 1.40(3) ?
C114' H114 . . 1.02(2) ?
C114' H114' . . .96(2) ?
C115' C116' . . 1.36(3) ?
C115' H115' . . .96(2) ?
C116' H116' . . .953(17) ?
C121 C122 . . 1.387(11) ?
C121 C126 . . 1.383(11) ?
C122 C123 . . 1.391(12) ?
C122 H122 . . .952(9) ?
C123 C124 . . 1.390(15) ?
C123 H123 . . .949(10) ?
C124 C125 . . 1.352(14) ?
C124 H124 . . .950(8) ?
C125 C126 . . 1.378(12) ?
C125 H125 . . .952(10) ?
C126 H126 . . .952(8) ?
C131 C132 . . 1.401(11) ?
C131 C136 . . 1.390(12) ?
C132 C133 . . 1.369(13) ?
C132 H132 . . .953(9) ?
C133 C134 . . 1.377(15) ?
C133 H133 . . .951(10) ?
C134 C135 . . 1.402(15) ?
C134 H134 . . .950(10) ?
C135 C136 . . 1.372(13) ?
C135 H135 . . .951(10) ?
C136 H136 . . .955(9) ?
P2 C211 . . 1.808(8) ?
P2 C221 . . 1.832(7) ?
P2 C231 . . 1.816(8) ?
C211 C212 . . 1.364(13) ?
C211 C216 . . 1.387(12) ?
C212 C213 . . 1.384(15) ?
C212 H212 . . .953(10) ?
C213 C214 . . 1.355(17) ?
C213 H213 . . .952(12) ?
C214 C215 . . 1.369(16) ?
C214 H214 . . .950(10) ?
C215 C216 . . 1.374(13) ?
C215 H215 . . .951(10) ?
C216 H216 . . .951(9) ?
C221 C222 . . 1.402(11) ?
C221 C226 . . 1.371(11) ?
C222 C223 . . 1.387(12) ?
C222 H222 . . .952(8) ?
C223 C224 . . 1.371(14) ?
C223 H223 . . .950(10) ?
C224 C225 . . 1.363(13) ?
C224 H224 . . .950(8) ?
C225 C226 . . 1.380(11) ?
C225 H225 . . .951(9) ?
C226 H226 . . .952(8) ?
C231 C232 . . 1.377(11) ?
C231 C236 . . 1.400(10) ?
C232 C233 . . 1.388(13) ?
C232 H232 . . .952(8) ?
C233 C234 . . 1.384(13) ?
C233 H233 . . .954(9) ?
C234 C235 . . 1.367(13) ?
C234 H234 . . .951(10) ?
C235 C236 . . 1.407(13) ?
C235 H235 . . .953(9) ?
C236 H236 . . .952(8) ?
P3 C311 . . 1.833(7) ?
P3 C321 . . 1.821(7) ?
P3 C331 . . 1.807(8) ?
C311 C312 . . 1.353(10) ?
C311 C316 . . 1.376(11) ?
C312 C313 . . 1.402(12) ?
C312 H312 . . .951(8) ?
C313 C314 . . 1.381(13) ?
C313 H313 . . .953(8) ?
C314 C315 . . 1.352(13) ?
C314 H314 . . .951(9) ?
C315 C316 . . 1.388(12) ?
C315 H315 . . .951(10) ?
C316 H316 . . .952(8) ?
C321 C322 . . 1.420(17) ?
C321 C326 . . 1.334(16) ?
C321 C322' . . 1.320(16) ?
C321 C326' . . 1.433(18) ?
C322 C323 . . 1.38(3) ?
C322 C322' . . .72(2) ?
C322 C323' . . 1.37(2) ?
C322 H322 . . 1.00(2) ?
C322 H322' . . 1.43(2) ?
C323 C324 . . 1.20(3) ?
C323 C322' . . 1.74(2) ?
C323 C323' . . .75(3) ?
C323 H323 . . .936(17) ?
C323 H323' . . 1.39(2) ?
C324 C325 . . 1.294(18) ?
C324 C323' . . 1.506(19) ?
C324 C325' . . 1.37(3) ?
C324 H324 . . .951(9) ?
C325 C326 . . 1.54(2) ?
C325 C325' . . .34(3) ?
C325 C326' . . 1.50(2) ?
C325 H325 . . .970(17) ?
C325 H325' . . .810(18) ?
C326 C325' . . 1.38(3) ?
C326 C326' . . .67(2) ?
C326 H326 . . .941(15) ?
C326 H326' . . 1.352(15) ?
C322' C323' . . 1.40(2) ?
C322' H322 . . 1.288(16) ?
C322' H322' . . .913(15) ?
C323' H323 . . 1.255(15) ?
C323' H323' . . .957(15) ?
C325' C326' . . 1.22(3) ?
C325' H325 . . 1.16(2) ?
C325' H325' . . .93(3) ?
C326' H326 . . 1.353(17) ?
C326' H326' . . .958(16) ?
C331 C332 . . 1.375(11) ?
C331 C336 . . 1.404(11) ?
C332 C333 . . 1.369(13) ?
C332 H332 . . .953(8) ?
C333 C334 . . 1.358(14) ?
C333 H333 . . .952(9) ?
C334 C335 . . 1.364(14) ?
C334 H334 . . .951(9) ?
C335 C336 . . 1.372(13) ?
C335 H335 . . .952(10) ?
C336 H336 . . .953(8) ?
O11 O12 . . 1.851(15) ?
O11 C1 . . 1.116(16) ?
O12 C1 . . 1.141(14) ?
O12 H12 . '3 655' .940(11) ?
C1 H1 . '3 655' .948(9) ?
H114 H114' . . .4302(2) ?
H325 H325' . . .32978(16) ?
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
Ag C0 3.166(10) . . ?
Ag O2 3.156(10) . . ?
Ag C111 3.743(7) . . ?
Ag C116 3.80(2) . . ?
Ag C116' 3.884(17) . . ?
Ag C121 3.611(7) . . ?
Ag C131 3.674(7) . . ?
Ag C132 3.713(9) . . ?
Ag C211 3.684(7) . . ?
Ag C212 3.978(10) . . ?
Ag C221 3.657(7) . . ?
Ag C222 3.880(8) . . ?
Ag C231 3.700(7) . . ?
Ag C232 3.917(9) . . ?
Ag C311 3.753(7) . . ?
Ag C312 3.976(8) . . ?
Ag C321 3.659(7) . . ?
Ag C322 3.885(18) . . ?
Ag C322' 3.986(15) . . ?
Ag C331 3.611(8) . . ?
Ag C332 3.792(9) . . ?
Ag H116 3.1986(17) . . ?
Ag H116' 3.3135(13) . . ?
Ag H132 3.070(2) . . ?
Ag H212 3.566(2) . . ?
Ag H222 3.4694(16) . . ?
Ag H232 3.442(3) . . ?
Ag H312 3.4660(15) . . ?
Ag H322 3.3413(14) . . ?
Ag H332 3.299(2) . . ?
C0 H12 2.637(14) . '3 655' ?
O1 O2 2.126(15) . . ?
O1 O2' 2.03(3) . . ?
O1 P1 3.499(10) . . ?
O1 C116 3.11(2) . . ?
O1 H0 1.762(9) . . ?
O1 H116 2.183(10) . . ?
O2 P2 3.589(10) . . ?
O2 O11 2.856(15) . . ?
O2 O12 2.746(15) . . ?
O2 H0 1.987(10) . . ?
O2 H222 2.631(10) . . ?
O2 H312 2.426(9) . . ?
O2 H12 1.822(10) . '3 655' ?
O1' O2' 2.16(3) . . ?
O1' P2 3.62(2) . . ?
O1' P3 3.43(2) . . ?
O1' H0 2.10(2) . . ?
O1' H312 2.40(2) . . ?
O2' H333 2.57(2) . '2 545' ?
O2' H12 2.29(3) . '3 655' ?
P1 C112 2.851(17) . . ?
P1 C116 2.70(2) . . ?
P1 C112' 2.807(15) . . ?
P1 C116' 2.853(17) . . ?
P1 C122 2.803(8) . . ?
P1 C126 2.795(9) . . ?
P1 C132 2.747(9) . . ?
P1 C136 2.833(9) . . ?
P1 P2 4.178(3) . . ?
P1 P3 4.362(3) . . ?
P1 H112 2.984(2) . . ?
P1 H116 2.721(3) . . ?
P1 H112' 2.947(2) . . ?
P1 H116' 2.951(3) . . ?
P1 H122 2.895(3) . . ?
P1 H126 2.881(3) . . ?
P1 H132 2.806(3) . . ?
P1 H136 2.958(2) . . ?
P1 H322 3.227(3) . . ?
C111 C113 2.390(11) . . ?
C111 C114 2.84(3) . . ?
C111 C115 2.44(3) . . ?
C111 C114' 2.74(2) . . ?
C111 C115' 2.45(2) . . ?
C111 C121 2.847(10) . . ?
C111 C126 3.173(11) . . ?
C111 C131 2.849(12) . . ?
C111 H112 2.009(8) . . ?
C111 H116 2.004(8) . . ?
C111 H112' 2.023(8) . . ?
C111 H116' 2.137(8) . . ?
C111 H126 2.799(8) . . ?
C112 C114 2.43(3) . . ?
C112 C115 2.76(3) . . ?
C112 C116 2.33(3) . . ?
C112 C114' 2.22(3) . . ?
C112 C115' 2.57(3) . . ?
C112 C116' 2.28(2) . . ?
C112 C131 3.241(19) . . ?
C112 C136 3.29(2) . . ?
C112 H113 2.034(17) . . ?
C113 C115 2.37(3) . . ?
C113 C116 2.71(2) . . ?
C113 C115' 2.25(2) . . ?
C113 C116' 2.70(2) . . ?
C113 H112 2.030(10) . . ?
C113 H114 2.085(10) . . ?
C113 H112' 2.099(10) . . ?
C113 H114' 1.869(10) . . ?
C114 C116 2.47(4) . . ?
C114 C112' 2.49(3) . . ?
C114 C116' 2.40(4) . . ?
C114 H113 2.06(3) . . ?
C114 H115 2.10(3) . . ?
C114 H115' 2.00(3) . . ?
C115 C112' 2.71(3) . . ?
C115 H114 2.09(3) . . ?
C115 H116 2.06(3) . . ?
C115 H114' 2.12(3) . . ?
C115 H115' 1.87(3) . . ?
C115 H116' 2.36(3) . . ?
C116 C112' 2.25(3) . . ?
C116 C114' 2.52(3) . . ?
C116 H115 2.07(2) . . ?
C116 H115' 2.66(2) . . ?
C116 H116' 1.63(2) . . ?
C116 H126 2.78(2) . . ?
C112' C114' 2.32(3) . . ?
C112' C115' 2.75(3) . . ?
C112' C116' 2.43(2) . . ?
C112' C121 3.246(16) . . ?
C112' C126 3.395(16) . . ?
C112' C131 3.374(18) . . ?
C112' H113 2.048(15) . . ?
C114' C116' 2.38(3) . . ?
C114' H113 1.86(2) . . ?
C114' H115 2.36(2) . . ?
C114' H115' 2.07(2) . . ?
C115' C323 3.36(3) . . ?
C115' H114 1.84(2) . . ?
C115' H115 1.96(2) . . ?
C115' H116 2.64(2) . . ?
C115' H114' 2.05(2) . . ?
C115' H116' 2.03(2) . . ?
C115' H323 2.85(2) . . ?
C116' C322 2.89(3) . . ?
C116' C323 3.26(3) . . ?
C116' H115 2.45(2) . . ?
C116' H116 1.691(16) . . ?
C116' H115' 2.024(16) . . ?
C116' H322 2.247(17) . . ?
C121 C123 2.417(11) . . ?
C121 C124 2.782(11) . . ?
C121 C125 2.399(12) . . ?
C121 C131 2.864(10) . . ?
C121 C136 3.292(11) . . ?
C121 H122 2.034(8) . . ?
C121 H126 2.029(8) . . ?
C122 C124 2.399(12) . . ?
C122 C125 2.742(13) . . ?
C122 C126 2.377(12) . . ?
C122 C131 3.157(11) . . ?
C122 C136 3.303(12) . . ?
C122 H123 2.043(8) . . ?
C123 C125 2.372(14) . . ?
C123 C126 2.755(13) . . ?
C123 H122 2.036(9) . . ?
C123 H124 2.039(10) . . ?
C124 C126 2.377(12) . . ?
C124 H123 2.041(11) . . ?
C124 H125 2.000(11) . . ?
C125 H124 2.005(9) . . ?
C125 H126 2.027(9) . . ?
C126 H125 2.024(8) . . ?
C126 H212 2.893(9) . . ?
C131 C133 2.425(13) . . ?
C131 C134 2.805(12) . . ?
C131 C135 2.411(12) . . ?
C131 H112 2.861(7) . . ?
C131 H122 2.742(7) . . ?
C131 H132 2.039(7) . . ?
C131 H136 2.035(7) . . ?
C132 C134 2.378(13) . . ?
C132 C135 2.744(13) . . ?
C132 C136 2.378(13) . . ?
C132 H133 2.021(9) . . ?
C133 C135 2.395(15) . . ?
C133 C136 2.760(14) . . ?
C133 H132 2.011(10) . . ?
C133 H134 2.031(11) . . ?
C134 C136 2.404(14) . . ?
C134 H133 2.026(11) . . ?
C134 H135 2.049(11) . . ?
C135 H134 2.053(10) . . ?
C135 H136 2.017(10) . . ?
C136 H112 2.559(9) . . ?
C136 H122 2.861(9) . . ?
C136 H135 2.022(9) . . ?
P2 C212 2.745(10) . . ?
P2 C216 2.825(9) . . ?
P2 C222 2.751(8) . . ?
P2 C226 2.838(8) . . ?
P2 C232 2.768(9) . . ?
P2 C236 2.819(9) . . ?
P2 P3 4.286(4) . . ?
P2 H212 2.810(2) . . ?
P2 H216 2.940(2) . . ?
P2 H222 2.811(2) . . ?
P2 H226 2.960(3) . . ?
P2 H232 2.840(3) . . ?
P2 H236 2.923(3) . . ?
P2 H332 3.350(3) . . ?
C211 C213 2.399(13) . . ?
C211 C214 2.791(12) . . ?
C211 C215 2.403(13) . . ?
C211 C221 2.868(11) . . ?
C211 C231 2.852(11) . . ?
C211 C236 3.054(12) . . ?
C211 H212 2.009(8) . . ?
C211 H216 2.033(8) . . ?
C211 H236 2.582(8) . . ?
C212 C214 2.380(14) . . ?
C212 C215 2.716(14) . . ?
C212 C216 2.347(13) . . ?
C212 H213 2.034(10) . . ?
C213 C215 2.341(16) . . ?
C213 C216 2.723(15) . . ?
C213 H212 2.028(11) . . ?
C213 H214 2.019(11) . . ?
C214 C216 2.386(14) . . ?
C214 H213 2.002(13) . . ?
C214 H215 2.018(13) . . ?
C215 H214 2.021(10) . . ?
C215 H216 2.019(10) . . ?
C216 C221 3.085(12) . . ?
C216 C222 3.386(12) . . ?
C216 H215 2.019(9) . . ?
C221 C223 2.404(11) . . ?
C221 C224 2.756(11) . . ?
C221 C225 2.381(11) . . ?
C221 C231 2.878(10) . . ?
C221 H216 2.605(7) . . ?
C221 H222 2.056(8) . . ?
C221 H226 2.024(8) . . ?
C222 C224 2.390(12) . . ?
C222 C225 2.759(12) . . ?
C222 C226 2.400(12) . . ?
C222 H216 2.802(8) . . ?
C222 H223 2.034(8) . . ?
C223 C225 2.373(14) . . ?
C223 C226 2.759(12) . . ?
C223 H222 2.042(9) . . ?
C223 H224 2.019(10) . . ?
C224 C226 2.381(11) . . ?
C224 H123 2.757(9) . '4 455' ?
C224 H223 2.022(10) . . ?
C224 H225 2.013(10) . . ?
C225 H224 2.011(8) . . ?
C225 H226 2.029(8) . . ?
C225 H336 2.869(8) . 4 ?
C226 C231 3.109(10) . . ?
C226 H225 2.027(8) . . ?
C231 C233 2.409(12) . . ?
C231 C234 2.790(12) . . ?
C231 C235 2.438(12) . . ?
C231 H226 2.643(7) . . ?
C231 H232 2.021(7) . . ?
C231 H236 2.047(7) . . ?
C232 C234 2.399(13) . . ?
C232 C235 2.770(12) . . ?
C232 C236 2.386(11) . . ?
C232 H233 2.039(9) . . ?
C233 C235 2.389(13) . . ?
C233 C236 2.762(12) . . ?
C233 H232 2.033(9) . . ?
C233 H234 2.031(9) . . ?
C233 H323' 2.800(8) . 4 ?
C234 C236 2.396(13) . . ?
C234 H233 2.037(9) . . ?
C234 H235 2.023(9) . . ?
C234 H323' 2.508(9) . 4 ?
C235 H234 2.014(10) . . ?
C235 H236 2.053(10) . . ?
C235 H323' 2.608(10) . 4 ?
C236 H235 2.060(8) . . ?
P3 C312 2.746(8) . . ?
P3 C316 2.820(9) . . ?
P3 C322 2.858(16) . . ?
P3 C326 2.773(14) . . ?
P3 C322' 2.673(15) . . ?
P3 C326' 2.890(17) . . ?
P3 C332 2.740(9) . . ?
P3 C336 2.855(9) . . ?
P3 H132 3.380(2) . . ?
P3 H312 2.802(3) . . ?
P3 H316 2.930(2) . . ?
P3 H322 2.957(2) . . ?
P3 H326 2.876(3) . . ?
P3 H322' 2.708(2) . . ?
P3 H326' 3.059(3) . . ?
P3 H332 2.799(3) . . ?
P3 H336 2.988(2) . . ?
C311 C313 2.400(11) . . ?
C311 C314 2.780(11) . . ?
C311 C315 2.385(11) . . ?
C311 C321 2.843(9) . . ?
C311 C326 3.034(15) . . ?
C311 C326' 3.106(17) . . ?
C311 C331 2.845(10) . . ?
C311 H312 2.000(7) . . ?
C311 H316 2.030(7) . . ?
C311 H326 2.614(6) . . ?
C311 H326' 2.722(7) . . ?
C312 C314 2.402(12) . . ?
C312 C315 2.718(13) . . ?
C312 C316 2.355(12) . . ?
C312 H313 2.054(8) . . ?
C312 H326' 2.820(7) . . ?
C313 C315 2.351(13) . . ?
C313 C316 2.753(12) . . ?
C313 H312 2.045(9) . . ?
C313 H314 2.036(9) . . ?
C314 C316 2.398(12) . . ?
C314 H114 2.855(9) . 3 ?
C314 H313 2.036(9) . . ?
C314 H315 1.993(9) . . ?
C315 H314 2.012(9) . . ?
C315 H316 2.042(9) . . ?
C316 C331 3.059(11) . . ?
C316 H315 2.028(9) . . ?
C316 H326 2.795(8) . . ?
C321 C323 2.448(18) . . ?
C321 C324 2.777(11) . . ?
C321 C325 2.483(18) . . ?
C321 C323' 2.381(16) . . ?
C321 C325' 2.27(3) . . ?
C321 C331 2.872(10) . . ?
C321 C336 3.156(11) . . ?
C321 H322 2.085(7) . . ?
C321 H326 1.980(7) . . ?
C321 H322' 1.942(7) . . ?
C321 H326' 2.102(7) . . ?
C321 H336 2.716(7) . . ?
C322 C324 2.26(2) . . ?
C322 C325 2.68(3) . . ?
C322 C326 2.31(2) . . ?
C322 C325' 2.50(3) . . ?
C322 C326' 2.25(2) . . ?
C322 H116' 2.20(2) . . ?
C322 H323 2.022(16) . . ?
C322 H323' 2.064(16) . . ?
C323 C325 2.21(3) . . ?
C323 C326 2.70(2) . . ?
C323 C325' 2.14(3) . . ?
C323 C326' 2.58(2) . . ?
C323 H116' 2.81(2) . . ?
C323 H322 2.08(2) . . ?
C323 H324 1.84(2) . . ?
C323 H322' 2.46(2) . . ?
C324 C326 2.411(17) . . ?
C324 C322' 2.471(18) . . ?
C324 C326' 2.323(18) . . ?
C324 H323 1.827(9) . . ?
C324 H325 1.990(9) . . ?
C324 H323' 2.179(10) . . ?
C324 H325' 1.962(9) . . ?
C325 C322' 2.77(2) . . ?
C325 C323' 2.40(2) . . ?
C325 H324 1.935(15) . . ?
C325 H326 2.179(16) . . ?
C325 H326' 2.160(15) . . ?
C326 C322' 2.23(2) . . ?
C326 C323' 2.70(2) . . ?
C326 H325 2.210(14) . . ?
C326 H325' 1.929(14) . . ?
C322' C325' 2.66(3) . . ?
C322' C326' 2.38(2) . . ?
C322' C331 3.253(16) . . ?
C322' C336 3.268(17) . . ?
C322' H116' 2.794(16) . . ?
C322' H323 2.386(15) . . ?
C322' H323' 2.064(14) . . ?
C322' H336 2.753(15) . . ?
C323' C325' 2.39(3) . . ?
C323' C326' 2.77(2) . . ?
C323' H226 2.761(16) . '4 454' ?
C323' H322 2.016(16) . . ?
C323' H324 2.104(16) . . ?
C323' H322' 2.001(15) . . ?
C325' H324 2.10(2) . . ?
C325' H326 2.07(3) . . ?
C325' H326' 1.89(2) . . ?
C326' H325 2.147(17) . . ?
C326' H325' 1.831(17) . . ?
C331 C333 2.399(12) . . ?
C331 C334 2.785(12) . . ?
C331 C335 2.414(12) . . ?
C331 H316 2.594(7) . . ?
C331 H332 2.019(7) . . ?
C331 H336 2.051(7) . . ?
C332 C334 2.367(13) . . ?
C332 C335 2.725(13) . . ?
C332 C336 2.366(12) . . ?
C332 H333 2.016(8) . . ?
C333 C335 2.352(13) . . ?
C333 C336 2.732(13) . . ?
C333 H332 2.011(10) . . ?
C333 H334 2.008(10) . . ?
C334 C336 2.376(13) . . ?
C334 H333 2.012(11) . . ?
C334 H335 2.011(11) . . ?
C335 H334 2.022(10) . . ?
C335 H336 2.019(10) . . ?
C336 H316 2.884(8) . . ?
C336 H335 2.024(9) . . ?
O11 H1 1.826(11) . '3 655' ?
O11 H12 1.886(10) . '3 655' ?
O12 H233 2.612(12) . '2 545' ?
O12 H1 1.861(11) . '3 655' ?
C1 H12 1.712(8) . '3 655' ?
H112 H113 2.3513(14) . . ?
H112 H112' 1.1634(6) . . ?
H112 H136 2.1862(13) . . ?
H113 H112' 2.3569(9) . . ?
H113 H114' 2.1578(12) . . ?
H114 H115' 2.0484(7) . . ?
H115 H116 2.3607(12) . . ?
H115 H115' 2.1586(10) . . ?
H115 H325' 2.3789(9) . 3 ?
H116 H116' 1.6897(9) . . ?
H112' H136 2.378(2) . . ?
H114' H115' 2.3967(8) . . ?
H115' H116' 2.3444(9) . . ?
H115' H326' 2.1564(9) . 3 ?
H116' H322 1.6820(11) . . ?
H122 H123 2.3400(14) . . ?
H123 H124 2.3454(17) . . ?
H124 H125 2.2973(14) . . ?
H125 H126 2.3189(14) . . ?
H132 H133 2.3066(17) . . ?
H133 H134 2.3337(8) . . ?
H134 H135 2.3561(10) . . ?
H135 H136 2.3119(16) . . ?
H212 H213 2.3253(12) . . ?
H213 H214 2.3181(9) . . ?
H214 H215 2.3195(8) . . ?
H215 H216 2.3080(12) . . ?
H222 H223 2.3427(8) . . ?
H223 H224 2.3189(16) . . ?
H224 H225 2.3074(11) . . ?
H225 H226 2.3247(8) . . ?
H232 H233 2.3332(14) . . ?
H233 H234 2.3350(14) . . ?
H234 H235 2.3179(12) . . ?
H235 H236 2.3597(14) . . ?
H312 H313 2.3501(8) . . ?
H313 H314 2.3458(9) . . ?
H314 H315 2.2961(18) . . ?
H315 H316 2.3320(8) . . ?
H322 H323 2.3609(8) . . ?
H322 H322' 1.3248(9) . . ?
H322 H323' 2.3430(10) . . ?
H323 H324 2.0643(11) . . ?
H323 H323' 1.1547(10) . . ?
H324 H325 2.2735(9) . . ?
H324 H325' 2.3754(10) . . ?
H326 H325' 2.2768(9) . . ?
H326 H326' 1.3942(10) . . ?
H322' H323' 2.3290(8) . . ?
H325' H326' 2.1519(9) . . ?
H332 H333 2.299(2) . . ?
H333 H334 2.3078(11) . . ?
H334 H335 2.3173(10) . . ?
H335 H336 2.318(2) . . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?
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
? ? ? ? ? ? ? ? ? ?
