#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/90/7009073.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_7009073
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_moiety         '[Ag(PPh3)3O2CH].HCO2H'
_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                 94.906(2)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   15.894(2)
_cell_length_b                   22.028(3)
_cell_length_c                   13.715(2)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    153
_cell_measurement_theta_max      28
_cell_measurement_theta_min      2
_cell_volume                     4784.2(11)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_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      153
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .030
_diffrn_reflns_av_sigmaI/netI    .054
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            55747
_diffrn_reflns_theta_max         29.22
_diffrn_reflns_theta_min         1.58
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    .568
_exptl_absorpt_correction_T_max  .911
_exptl_absorpt_correction_T_min  .764
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.369
_exptl_crystal_description       tablet
_exptl_crystal_F_000             2032
_exptl_crystal_size_max          .35
_exptl_crystal_size_mid          .24
_exptl_crystal_size_min          .08
_refine_diff_density_max         1.007
_refine_diff_density_min         -.799
_refine_ls_extinction_coef       .00000
_refine_ls_extinction_expression 'Eq22 p292 "Cryst. Comp." Munksgaard 1970'
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_all   1.5
_refine_ls_goodness_of_fit_ref   1.641
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     666
_refine_ls_number_reflns         9315
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .059
_refine_ls_R_factor_gt           .039
_refine_ls_shift/su_max          .044
_refine_ls_shift/su_mean         .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .051
_refine_ls_wR_factor_ref         .049
_reflns_d_resolution_high        .728
_reflns_d_resolution_low         12.825
_reflns_Friedel_coverage         0
_reflns_limit_h_max              21
_reflns_limit_h_min              0
_reflns_limit_k_max              30
_reflns_limit_k_min              0
_reflns_limit_l_max              18
_reflns_limit_l_min              -18
_reflns_number_gt                9315
_reflns_number_total             12118
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            a908427d.txt
_cod_data_source_block           form
_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               7009073
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 .246268(12) .133537(9) .102569(13) .03651(11) Uani ? ? 1.00000 ? ?
C0 .3008(2) .00333(15) .1760(4) .075(2) Uani ? ? 1.00000 ? ?
O1 .29307(17) .02494(11) .0964(2) .0552(15) Uani ? ? .833(3) ? ?
O2 .27604(15) .02429(11) .2558(2) .0597(15) Uani ? ? .833(3) ? ?
O1' .2473(9) .0399(7) .1458(11) .066(4) Uiso ? ? .167(3) ? ?
O2' .3000(10) -.0520(8) .1669(11) .082(5) Uiso ? ? .167(3) ? ?
P1 .29255(4) .15031(3) -.06656(4) .0341(3) Uani ? ? 1.00000 ? ?
C111 .25363(17) .09724(11) -.16289(18) .0406(13) Uani ? ? 1.00000 ? ?
C112 .2821(7) .0965(7) -.2570(12) .038(5) Uani ? ? .50000 ? ?
C113 .2375(2) .05981(14) -.3272(2) .0567(18) Uani ? ? 1.00000 ? ?
C114 .1748(4) .0281(3) -.3148(5) .048(4) Uani ? ? .50000 ? ?
C115 .1391(4) .0292(2) -.2258(4) .048(3) Uani ? ? .50000 ? ?
C116 .1763(3) .0656(2) -.1510(4) .039(3) Uani ? ? .50000 ? ?
C112' .2540(7) .1039(7) -.2564(13) .045(5) Uani ? ? .50000 ? ?
C114' .2060(5) .0019(3) -.2934(5) .055(4) Uani ? ? .50000 ? ?
C115' .2154(5) -.0103(3) -.1924(5) .071(4) Uani ? ? .50000 ? ?
C116' .2428(5) .0341(3) -.1277(4) .065(4) Uani ? ? .50000 ? ?
C121 .40702(17) .14489(11) -.06740(17) .0387(13) Uani ? ? 1.00000 ? ?
C122 .45893(18) .19544(12) -.0552(2) .0469(15) Uani ? ? 1.00000 ? ?
C123 .5461(2) .18891(16) -.0475(2) .0595(18) Uani ? ? 1.00000 ? ?
C124 .5817(2) .13198(16) -.0494(2) .0603(19) Uani ? ? 1.00000 ? ?
C125 .5316(2) .08145(15) -.0601(2) .0574(18) Uani ? ? 1.00000 ? ?
C126 .44462(18) .08715(13) -.0688(2) .0478(15) Uani ? ? 1.00000 ? ?
C131 .26657(16) .22494(11) -.11920(17) .0363(12) Uani ? ? 1.00000 ? ?
C132 .20763(17) .25956(13) -.0760(2) .0483(15) Uani ? ? 1.00000 ? ?
C133 .1816(2) .31541(15) -.1141(3) .066(2) Uani ? ? 1.00000 ? ?
C134 .2158(2) .33769(15) -.1958(3) .066(2) Uani ? ? 1.00000 ? ?
C135 .2758(2) .30416(14) -.2396(2) .0609(19) Uani ? ? 1.00000 ? ?
C136 .3010(2) .24823(12) -.2016(2) .0513(16) Uani ? ? 1.00000 ? ?
P2 .35630(4) .17242(3) .23103(4) .0374(3) Uani ? ? 1.00000 ? ?
C211 .43646(16) .11703(12) .2731(2) .0455(15) Uani ? ? 1.00000 ? ?
C212 .4811(2) .0888(2) .2029(3) .083(2) Uani ? ? 1.00000 ? ?
C213 .5427(3) .0457(2) .2318(5) .112(3) Uani ? ? 1.00000 ? ?
C214 .5595(2) .03133(16) .3278(5) .099(3) Uani ? ? 1.00000 ? ?
C215 .5164(2) .05882(17) .3977(3) .080(2) Uani ? ? 1.00000 ? ?
C216 .45456(18) .10213(14) .3709(2) .0543(17) Uani ? ? 1.00000 ? ?
C221 .31125(14) .19665(11) .34296(16) .0336(12) Uani ? ? 1.00000 ? ?
C222 .25554(15) .15631(13) .38368(18) .0409(13) Uani ? ? 1.00000 ? ?
C223 .21800(16) .17297(14) .46787(18) .0464(15) Uani ? ? 1.00000 ? ?
C224 .23511(17) .22865(15) .51081(19) .0486(15) Uani ? ? 1.00000 ? ?
C225 .28875(17) .26898(14) .47003(19) .0465(15) Uani ? ? 1.00000 ? ?
C226 .32712(16) .25306(13) .38640(18) .0405(13) Uani ? ? 1.00000 ? ?
C231 .41839(16) .23743(12) .19705(17) .0393(13) Uani ? ? 1.00000 ? ?
C232 .37796(17) .28442(14) .14382(18) .0475(15) Uani ? ? 1.00000 ? ?
C233 .4227(2) .33439(15) .1147(2) .0564(18) Uani ? ? 1.00000 ? ?
C234 .5098(2) .33715(17) .1377(2) .062(2) Uani ? ? 1.00000 ? ?
C235 .55046(19) .29150(16) .1908(2) .0577(18) Uani ? ? 1.00000 ? ?
C236 .50573(17) .24145(14) .2211(2) .0475(15) Uani ? ? 1.00000 ? ?
P3 .09570(4) .15049(3) .13387(4) .0318(3) Uani ? ? 1.00000 ? ?
C311 .05695(15) .12169(10) .24675(16) .0309(11) Uani ? ? 1.00000 ? ?
C312 .08622(15) .06569(11) .28197(18) .0360(12) Uani ? ? 1.00000 ? ?
C313 .05470(17) .04001(11) .3633(2) .0430(14) Uani ? ? 1.00000 ? ?
C314 -.0064(2) .07020(12) .41070(19) .0477(15) Uani ? ? 1.00000 ? ?
C315 -.0358(2) .12559(13) .3766(2) .0569(18) Uani ? ? 1.00000 ? ?
C316 -.0041(2) .15160(12) .29510(19) .0479(15) Uani ? ? 1.00000 ? ?
C321 .01857(16) .11970(11) .03996(16) .0341(12) Uani ? ? 1.00000 ? ?
C322 .0439(5) .1124(3) -.0567(5) .056(4) Uani ? ? .50000 ? ?
C323 -.0134(6) .0878(4) -.1292(5) .072(5) Uani ? ? .50000 ? ?
C324 -.0919(2) .07134(14) -.1095(2) .0546(17) Uani ? ? 1.00000 ? ?
C325 -.1116(11) .0700(7) -.0140(18) .049(6) Uani ? ? .50000 ? ?
C326 -.0538(9) .0949(5) .0635(11) .042(5) Uani ? ? .50000 ? ?
C322' .0153(3) .1451(2) -.0537(4) .033(3) Uani ? ? .50000 ? ?
C323' -.0389(4) .1226(3) -.1286(4) .039(3) Uani ? ? .50000 ? ?
C325' -.0939(13) .0521(8) -.0167(16) .063(9) Uani ? ? .50000 ? ?
C326' -.0415(11) .0753(5) .0546(10) .053(6) Uani ? ? .50000 ? ?
C331 .06945(15) .23134(11) .13846(17) .0351(12) Uani ? ? 1.00000 ? ?
C332 .12849(17) .26979(12) .1876(2) .0449(14) Uani ? ? 1.00000 ? ?
C333 .1104(2) .33109(13) .1974(2) .0590(18) Uani ? ? 1.00000 ? ?
C334 .0347(3) .35413(14) .1597(3) .069(2) Uani ? ? 1.00000 ? ?
C335 -.0249(2) .31680(14) .1114(3) .065(2) Uani ? ? 1.00000 ? ?
C336 -.00728(19) .25555(12) .0999(2) .0507(16) Uani ? ? 1.00000 ? ?
O11 .3232(2) -.02120(16) .4188(3) .118(2) Uani ? ? 1.00000 ? ?
O12 .2044(3) -.0494(2) .4549(4) .126(4) Uani ? ? .833(3) ? ?
C1 .2723(3) -.0467(2) .4668(3) .068(3) Uani ? ? .833(3) ? ?
O12' .2358(8) -.0545(6) .3332(9) .053(3) Uiso ? ? .167(3) ? ?
C1' .2197(14) -.0773(9) .3862(18) .058(5) Uiso ? ? .167(3) ? ?
H0 .32872 -.03436 .18152 .08700 Uiso ? ? 1.00000 ? ?
H112 .32996 .12044 -.27055 .04420 Uiso ? ? .50000 ? ?
H113 .25721 .05933 -.39090 .07070 Uiso ? ? 1.00000 ? ?
H114 .15068 .00284 -.36651 .05820 Uiso ? ? .50000 ? ?
H115 .09111 .00544 -.21655 .06090 Uiso ? ? .50000 ? ?
H116 .15039 .06917 -.09122 .04990 Uiso ? ? .50000 ? ?
H112' .26580 .14336 -.28068 .05480 Uiso ? ? .50000 ? ?
H114' .17945 -.02653 -.33796 .06790 Uiso ? ? .50000 ? ?
H115' .20364 -.04998 -.16963 .08910 Uiso ? ? .50000 ? ?
H116' .25575 .02514 -.05992 .05060 Uiso ? ? .50000 ? ?
H122 .43460 .23484 -.05284 .05960 Uiso ? ? 1.00000 ? ?
H123 .58127 .22379 -.04013 .07520 Uiso ? ? 1.00000 ? ?
H124 .64162 .12800 -.04388 .07700 Uiso ? ? 1.00000 ? ?
H125 .55663 .04217 -.06157 .07300 Uiso ? ? 1.00000 ? ?
H126 .40990 .05196 -.07565 .06100 Uiso ? ? 1.00000 ? ?
H132 .18440 .24471 -.01879 .06090 Uiso ? ? 1.00000 ? ?
H133 .14052 .33835 -.08423 .08280 Uiso ? ? 1.00000 ? ?
H134 .19869 .37605 -.22210 .08000 Uiso ? ? 1.00000 ? ?
H135 .29953 .31958 -.29568 .07560 Uiso ? ? 1.00000 ? ?
H136 .34194 .22532 -.23250 .06450 Uiso ? ? 1.00000 ? ?
H212 .46981 .09846 .13594 .10420 Uiso ? ? 1.00000 ? ?
H213 .57345 .02630 .18479 .14170 Uiso ? ? 1.00000 ? ?
H214 .60114 .00177 .34771 .12240 Uiso ? ? 1.00000 ? ?
H215 .52880 .04901 .46559 .10000 Uiso ? ? 1.00000 ? ?
H216 .42482 .12143 .41963 .06920 Uiso ? ? 1.00000 ? ?
H222 .24346 .11818 .35421 .05110 Uiso ? ? 1.00000 ? ?
H223 .18043 .14570 .49559 .05890 Uiso ? ? 1.00000 ? ?
H224 .20980 .23945 .56879 .06120 Uiso ? ? 1.00000 ? ?
H225 .29930 .30758 .49957 .05900 Uiso ? ? 1.00000 ? ?
H226 .36429 .28085 .35864 .05060 Uiso ? ? 1.00000 ? ?
H232 .31880 .28218 .12698 .05900 Uiso ? ? 1.00000 ? ?
H233 .39405 .36664 .07991 .07110 Uiso ? ? 1.00000 ? ?
H234 .54086 .37071 .11637 .07830 Uiso ? ? 1.00000 ? ?
H235 .60993 .29369 .20700 .07320 Uiso ? ? 1.00000 ? ?
H236 .53437 .21020 .25818 .05960 Uiso ? ? 1.00000 ? ?
H312 .12849 .04511 .24997 .04610 Uiso ? ? 1.00000 ? ?
H313 .07493 .00181 .38730 .05420 Uiso ? ? 1.00000 ? ?
H314 -.02816 .05263 .46647 .06030 Uiso ? ? 1.00000 ? ?
H315 -.07785 .14633 .40887 .07290 Uiso ? ? 1.00000 ? ?
H316 -.02459 .19020 .27230 .06130 Uiso ? ? 1.00000 ? ?
H322 .09952 .12382 -.07139 .07270 Uiso ? ? .50000 ? ?
H323 .00437 .08088 -.19345 .08860 Uiso ? ? .50000 ? ?
H324 -.13364 .06152 -.16076 .06780 Uiso ? ? 1.00000 ? ?
H325 -.16239 .05194 .00245 .06280 Uiso ? ? .50000 ? ?
H326 -.06821 .09532 .12795 .05310 Uiso ? ? .50000 ? ?
H322' .05062 .17868 -.06580 .04340 Uiso ? ? .50000 ? ?
H323' -.04137 .14033 -.19185 .04910 Uiso ? ? .50000 ? ?
H325' -.13436 .02208 -.00228 .08130 Uiso ? ? .50000 ? ?
H326' -.04538 .06085 .12136 .06330 Uiso ? ? .50000 ? ?
H332 .18100 .25408 .21459 .05560 Uiso ? ? 1.00000 ? ?
H333 .15154 .35708 .23005 .07420 Uiso ? ? 1.00000 ? ?
H334 .02304 .39629 .16691 .08570 Uiso ? ? 1.00000 ? ?
H335 -.07788 .33291 .08656 .08160 Uiso ? ? 1.00000 ? ?
H336 -.04818 .23010 .06579 .06220 Uiso ? ? 1.00000 ? ?
H1 .30278 -.06186 .53803 .16362 Uiso ? ? 1.00000 ? ?
H11 .28735 -.01104 .35305 .13674 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'
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'
O ? 0 16 .008 .006 '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
? ? ?
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' . . . 25.5(4) ?
O1 Ag P1 . . . 89.90(7) ?
O1 Ag P2 . . . 99.05(6) ?
O1 Ag P3 . . . 116.10(6) ?
O1' Ag P1 . . . 113.5(4) ?
O1' Ag P2 . . . 98.3(4) ?
O1' Ag P3 . . . 94.7(4) ?
P1 Ag P2 . . . 110.70(2) ?
P1 Ag P3 . . . 119.75(2) ?
P2 Ag P3 . . . 116.53(2) ?
O1 C0 O2 . . . 128.7(3) ?
O1 C0 O1' . . . 53.7(7) ?
O1 C0 O2' . . . 107.8(8) ?
O1 C0 H0 . . . 116.0(5) ?
O2 C0 O1' . . . 78.3(7) ?
O2 C0 O2' . . . 116.4(8) ?
O2 C0 H0 . . . 115.3(4) ?
O1' C0 O2' . . . 128.5(10) ?
O1' C0 H0 . . . 157.1(8) ?
O2' C0 H0 . . . 29.7(7) ?
Ag O1 C0 . . . 111.0(2) ?
Ag O1 O1' . . . 58.3(8) ?
Ag O1 O2' . . . 144.8(5) ?
C0 O1 O1' . . . 64.6(8) ?
C0 O1 O2' . . . 36.8(5) ?
O1' O1 O2' . . . 88.1(9) ?
C0 O2 O1' . . . 49.1(6) ?
C0 O2 H11 . . . 122.4(2) ?
O1' O2 H11 . . . 160.2(6) ?
Ag O1' C0 . . . 135.9(10) ?
Ag O1' O1 . . . 96.2(9) ?
Ag O1' O2 . . . 117.9(8) ?
C0 O1' O1 . . . 61.8(8) ?
C0 O1' O2 . . . 52.7(6) ?
O1 O1' O2 . . . 112.1(11) ?
C0 O2' O1 . . . 35.4(5) ?
C0 O2' H0 . . . 48.8(12) ?
O1 O2' H0 . . . 67.9(14) ?
Ag P1 C111 . . . 117.60(9) ?
Ag P1 C121 . . . 111.47(8) ?
Ag P1 C131 . . . 114.92(8) ?
C111 P1 C121 . . . 103.25(12) ?
C111 P1 C131 . . . 103.78(11) ?
C121 P1 C131 . . . 104.36(11) ?
P1 C111 C112 . . . 123.7(6) ?
P1 C111 C116 . . . 117.9(3) ?
P1 C111 C112' . . . 127.9(7) ?
P1 C111 C116' . . . 113.8(3) ?
C112 C111 C116 . . . 116.5(6) ?
C112 C111 C112' . . . 19.7(7) ?
C112 C111 C116' . . . 110.1(7) ?
C116 C111 C112' . . . 104.2(6) ?
C116 C111 C116' . . . 52.0(4) ?
C112' C111 C116' . . . 116.1(7) ?
C111 C112 C113 . . . 117.0(9) ?
C111 C112 C112' . . . 67(3) ?
C111 C112 H112 . . . 119.7(14) ?
C111 C112 H112' . . . 100.0(11) ?
C113 C112 C112' . . . 78(3) ?
C113 C112 H112 . . . 123.3(15) ?
C113 C112 H112' . . . 104.2(11) ?
C112' C112 H112 . . . 125(3) ?
C112' C112 H112' . . . 59(3) ?
H112 C112 H112' . . . 66.4(10) ?
C112 C113 C114 . . . 126.5(7) ?
C112 C113 C112' . . . 19.6(7) ?
C112 C113 C114' . . . 116.9(8) ?
C112 C113 H113 . . . 116.7(7) ?
C114 C113 C112' . . . 114.0(7) ?
C114 C113 C114' . . . 33.2(4) ?
C114 C113 H113 . . . 116.8(4) ?
C112' C113 C114' . . . 116.1(8) ?
C112' C113 H113 . . . 126.4(7) ?
C114' C113 H113 . . . 115.4(4) ?
C113 C114 C115 . . . 120.3(6) ?
C113 C114 C114' . . . 88.7(8) ?
C113 C114 C115' . . . 98.8(5) ?
C113 C114 H114 . . . 120.2(7) ?
C113 C114 H114' . . . 116.3(6) ?
C115 C114 C114' . . . 88.6(8) ?
C115 C114 C115' . . . 51.5(4) ?
C115 C114 H114 . . . 119.5(7) ?
C115 C114 H114' . . . 106.1(5) ?
C114' C114 C115' . . . 38.6(7) ?
C114' C114 H114 . . . 92.8(8) ?
C114' C114 H114' . . . 49.4(6) ?
C115' C114 H114 . . . 118.1(6) ?
C115' C114 H114' . . . 77.1(4) ?
H114 C114 H114' . . . 43.8(3) ?
C114 C115 C116 . . . 118.5(5) ?
C114 C115 C114' . . . 30.3(4) ?
C114 C115 C115' . . . 83.1(5) ?
C114 C115 H115 . . . 120.4(6) ?
C116 C115 C114' . . . 112.6(5) ?
C116 C115 C115' . . . 80.2(4) ?
C116 C115 H115 . . . 121.1(6) ?
C114' C115 C115' . . . 53.6(4) ?
C114' C115 H115 . . . 117.3(5) ?
C115' C115 H115 . . . 105.9(5) ?
C111 C116 C115 . . . 120.6(5) ?
C111 C116 C115' . . . 95.1(4) ?
C111 C116 C116' . . . 66.1(4) ?
C111 C116 H116 . . . 119.7(4) ?
C115 C116 C115' . . . 53.1(4) ?
C115 C116 C116' . . . 99.2(5) ?
C115 C116 H116 . . . 119.7(5) ?
C115' C116 C116' . . . 46.3(4) ?
C115' C116 H116 . . . 120.7(5) ?
C116' C116 H116 . . . 103.8(5) ?
C111 C112' C112 . . . 94(3) ?
C111 C112' C113 . . . 126.9(12) ?
C111 C112' H112 . . . 105.4(10) ?
C111 C112' H112' . . . 117.9(15) ?
C112 C112' C113 . . . 82(3) ?
C112 C112' H112 . . . 37(2) ?
C112 C112' H112' . . . 95(3) ?
C113 C112' H112 . . . 102.5(11) ?
C113 C112' H112' . . . 115.2(15) ?
H112 C112' H112' . . . 58.5(7) ?
C113 C114' C114 . . . 58.0(7) ?
C113 C114' C115 . . . 96.8(5) ?
C113 C114' C115' . . . 118.0(6) ?
C113 C114' H114 . . . 88.1(4) ?
C113 C114' H114' . . . 121.1(6) ?
C114 C114' C115 . . . 61.1(7) ?
C114 C114' C115' . . . 120.7(9) ?
C114 C114' H114 . . . 48.4(6) ?
C114 C114' H114' . . . 90.7(8) ?
C115 C114' C115' . . . 61.1(5) ?
C115 C114' H114 . . . 90.1(5) ?
C115 C114' H114' . . . 110.0(6) ?
C115' C114' H114 . . . 141.7(7) ?
C115' C114' H114' . . . 120.9(7) ?
H114 C114' H114' . . . 42.7(3) ?
C114 C115' C115 . . . 45.3(4) ?
C114 C115' C116 . . . 77.3(4) ?
C114 C115' C114' . . . 20.8(4) ?
C114 C115' C116' . . . 108.3(5) ?
C114 C115' H115' . . . 128.5(6) ?
C115 C115' C116 . . . 46.7(3) ?
C115 C115' C114' . . . 65.3(5) ?
C115 C115' C116' . . . 89.3(5) ?
C115 C115' H115' . . . 116.5(7) ?
C116 C115' C114' . . . 96.8(5) ?
C116 C115' C116' . . . 42.7(4) ?
C116 C115' H115' . . . 129.4(6) ?
C114' C115' C116' . . . 120.3(6) ?
C114' C115' H115' . . . 119.3(7) ?
C116' C115' H115' . . . 120.4(7) ?
C111 C116' C116 . . . 61.9(4) ?
C111 C116' C115' . . . 119.9(5) ?
C111 C116' H116' . . . 119.2(6) ?
C116 C116' C115' . . . 90.9(6) ?
C116 C116' H116' . . . 117.3(7) ?
C115' C116' H116' . . . 120.9(7) ?
P1 C121 C122 . . . 122.0(2) ?
P1 C121 C126 . . . 119.0(2) ?
C122 C121 C126 . . . 118.6(3) ?
C121 C122 C123 . . . 120.3(3) ?
C121 C122 H122 . . . 119.8(3) ?
C123 C122 H122 . . . 119.9(3) ?
C122 C123 C124 . . . 120.2(3) ?
C122 C123 H123 . . . 119.9(3) ?
C124 C123 H123 . . . 119.9(3) ?
C123 C124 C125 . . . 120.3(3) ?
C123 C124 H124 . . . 119.5(3) ?
C125 C124 H124 . . . 120.1(3) ?
C124 C125 C126 . . . 120.2(3) ?
C124 C125 H125 . . . 120.0(3) ?
C126 C125 H125 . . . 119.8(3) ?
C121 C126 C125 . . . 120.2(3) ?
C121 C126 H126 . . . 119.7(3) ?
C125 C126 H126 . . . 120.1(3) ?
P1 C131 C132 . . . 117.8(2) ?
P1 C131 C136 . . . 124.0(2) ?
C132 C131 C136 . . . 118.2(2) ?
C131 C132 C133 . . . 121.4(3) ?
C131 C132 H132 . . . 119.3(3) ?
C133 C132 H132 . . . 119.4(3) ?
C132 C133 C134 . . . 119.8(3) ?
C132 C133 H133 . . . 120.4(4) ?
C134 C133 H133 . . . 119.8(3) ?
C133 C134 C135 . . . 119.9(3) ?
C133 C134 H134 . . . 120.4(4) ?
C135 C134 H134 . . . 119.8(4) ?
C134 C135 C136 . . . 120.0(3) ?
C134 C135 H135 . . . 119.8(3) ?
C136 C135 H135 . . . 120.1(3) ?
C131 C136 C135 . . . 120.8(3) ?
C131 C136 H136 . . . 119.8(3) ?
C135 C136 H136 . . . 119.5(3) ?
Ag P2 C211 . . . 114.71(9) ?
Ag P2 C221 . . . 112.80(7) ?
Ag P2 C231 . . . 116.51(8) ?
C211 P2 C221 . . . 104.06(12) ?
C211 P2 C231 . . . 103.18(12) ?
C221 P2 C231 . . . 104.17(11) ?
P2 C211 C212 . . . 117.7(2) ?
P2 C211 C216 . . . 123.1(2) ?
C212 C211 C216 . . . 119.2(3) ?
C211 C212 C213 . . . 119.6(4) ?
C211 C212 H212 . . . 120.4(4) ?
C213 C212 H212 . . . 120.0(4) ?
C212 C213 C214 . . . 120.6(5) ?
C212 C213 H213 . . . 120.3(6) ?
C214 C213 H213 . . . 119.1(5) ?
C213 C214 C215 . . . 120.5(4) ?
C213 C214 H214 . . . 120.8(6) ?
C215 C214 H214 . . . 118.6(6) ?
C214 C215 C216 . . . 120.1(4) ?
C214 C215 H215 . . . 120.5(4) ?
C216 C215 H215 . . . 119.4(4) ?
C211 C216 C215 . . . 120.0(3) ?
C211 C216 H216 . . . 120.0(3) ?
C215 C216 H216 . . . 120.1(3) ?
P2 C221 C222 . . . 117.06(19) ?
P2 C221 C226 . . . 123.40(19) ?
C222 C221 C226 . . . 119.5(2) ?
C221 C222 C223 . . . 119.5(3) ?
C221 C222 H222 . . . 120.3(3) ?
C223 C222 H222 . . . 120.2(3) ?
C222 C223 C224 . . . 120.4(3) ?
C222 C223 H223 . . . 119.6(3) ?
C224 C223 H223 . . . 120.0(3) ?
C223 C224 C225 . . . 120.4(3) ?
C223 C224 H224 . . . 119.9(3) ?
C225 C224 H224 . . . 119.8(3) ?
C224 C225 C226 . . . 120.1(3) ?
C224 C225 H225 . . . 119.7(3) ?
C226 C225 H225 . . . 120.2(3) ?
C221 C226 C225 . . . 120.2(2) ?
C221 C226 H226 . . . 119.9(2) ?
C225 C226 H226 . . . 119.9(3) ?
P2 C231 C232 . . . 118.9(2) ?
P2 C231 C236 . . . 122.5(2) ?
C232 C231 C236 . . . 118.7(3) ?
C231 C232 C233 . . . 121.1(3) ?
C231 C232 H232 . . . 119.5(3) ?
C233 C232 H232 . . . 119.5(3) ?
C232 C233 C234 . . . 119.5(3) ?
C232 C233 H233 . . . 120.2(3) ?
C234 C233 H233 . . . 120.3(3) ?
C233 C234 C235 . . . 120.1(3) ?
C233 C234 H234 . . . 119.8(3) ?
C235 C234 H234 . . . 120.0(3) ?
C234 C235 C236 . . . 120.6(3) ?
C234 C235 H235 . . . 120.0(3) ?
C236 C235 H235 . . . 119.4(3) ?
C231 C236 C235 . . . 120.0(3) ?
C231 C236 H236 . . . 120.0(3) ?
C235 C236 H236 . . . 120.0(3) ?
Ag P3 C311 . . . 119.43(8) ?
Ag P3 C321 . . . 114.70(8) ?
Ag P3 C331 . . . 112.09(8) ?
C311 P3 C321 . . . 102.32(11) ?
C311 P3 C331 . . . 102.36(11) ?
C321 P3 C331 . . . 104.10(11) ?
P3 C311 C312 . . . 118.37(18) ?
P3 C311 C316 . . . 122.68(18) ?
C312 C311 C316 . . . 118.8(2) ?
C311 C312 C313 . . . 120.6(2) ?
C311 C312 H312 . . . 119.5(2) ?
C313 C312 H312 . . . 119.9(2) ?
C312 C313 C314 . . . 120.0(2) ?
C312 C313 H313 . . . 120.4(3) ?
C314 C313 H313 . . . 119.6(3) ?
C313 C314 C315 . . . 119.9(3) ?
C313 C314 H314 . . . 120.1(3) ?
C315 C314 H314 . . . 120.0(3) ?
C314 C315 C316 . . . 120.3(3) ?
C314 C315 H315 . . . 120.0(3) ?
C316 C315 H315 . . . 119.7(3) ?
C311 C316 C315 . . . 120.4(3) ?
C311 C316 H316 . . . 120.0(3) ?
C315 C316 H316 . . . 119.6(3) ?
P3 C321 C322 . . . 118.1(3) ?
P3 C321 C326 . . . 121.3(6) ?
P3 C321 C322' . . . 117.9(3) ?
P3 C321 C326' . . . 125.8(6) ?
C322 C321 C326 . . . 119.6(7) ?
C322 C321 C322' . . . 35.2(4) ?
C322 C321 C326' . . . 107.8(7) ?
C326 C321 C322' . . . 114.9(6) ?
C326 C321 C326' . . . 20.6(8) ?
C322' C321 C326' . . . 116.2(6) ?
C321 C322 C323 . . . 119.1(7) ?
C321 C322 C322' . . . 70.6(6) ?
C321 C322 C323' . . . 106.0(5) ?
C321 C322 H322 . . . 120.3(6) ?
C321 C322 H322' . . . 89.8(4) ?
C323 C322 C322' . . . 92.6(8) ?
C323 C322 C323' . . . 33.0(5) ?
C323 C322 H322 . . . 120.6(7) ?
C323 C322 H322' . . . 111.9(6) ?
C322' C322 C323' . . . 59.8(6) ?
C322' C322 H322 . . . 107.0(9) ?
C322' C322 H322' . . . 37.8(5) ?
C323' C322 H322 . . . 124.3(6) ?
C323' C322 H322' . . . 82.5(4) ?
H322 C322 H322' . . . 69.3(5) ?
C322 C323 C324 . . . 121.2(6) ?
C322 C323 C322' . . . 30.7(4) ?
C322 C323 C323' . . . 85.8(8) ?
C322 C323 H323 . . . 119.3(9) ?
C322 C323 H323' . . . 104.7(7) ?
C324 C323 C322' . . . 106.7(6) ?
C324 C323 C323' . . . 78.1(8) ?
C324 C323 H323 . . . 119.4(7) ?
C324 C323 H323' . . . 95.1(6) ?
C322' C323 C323' . . . 55.2(6) ?
C322' C323 H323 . . . 127.0(8) ?
C322' C323 H323' . . . 79.8(5) ?
C323' C323 H323 . . . 108.9(9) ?
C323' C323 H323' . . . 37.0(5) ?
H323 C323 H323' . . . 72.0(4) ?
C323 C324 C325 . . . 119.2(8) ?
C323 C324 C323' . . . 36.0(5) ?
C323 C324 C325' . . . 111.8(9) ?
C323 C324 H324 . . . 120.8(4) ?
C325 C324 C323' . . . 112.0(8) ?
C325 C324 C325' . . . 20.6(11) ?
C325 C324 H324 . . . 120.1(8) ?
C323' C324 C325' . . . 118.6(8) ?
C323' C324 H324 . . . 115.1(3) ?
C325' C324 H324 . . . 124.0(9) ?
C324 C325 C326 . . . 120.6(15) ?
C324 C325 C325' . . . 76(4) ?
C324 C325 C326' . . . 114.0(15) ?
C324 C325 H325 . . . 120(2) ?
C324 C325 H325' . . . 105.0(15) ?
C326 C325 C325' . . . 92(3) ?
C326 C325 C326' . . . 19.8(8) ?
C326 C325 H325 . . . 119(2) ?
C326 C325 H325' . . . 116.0(18) ?
C325' C325 C326' . . . 72(3) ?
C325' C325 H325 . . . 101(3) ?
C325' C325 H325' . . . 57(3) ?
C326' C325 H325 . . . 121(2) ?
C326' C325 H325' . . . 103.2(15) ?
H325 C325 H325' . . . 44.2(7) ?
C321 C326 C325 . . . 118.7(14) ?
C321 C326 C325' . . . 112.9(13) ?
C321 C326 C326' . . . 86(3) ?
C321 C326 H326 . . . 120.7(12) ?
C321 C326 H326' . . . 113.6(11) ?
C325 C326 C325' . . . 18.4(10) ?
C325 C326 C326' . . . 74(2) ?
C325 C326 H326 . . . 120.5(15) ?
C325 C326 H326' . . . 107.7(12) ?
C325' C326 C326' . . . 56(2) ?
C325' C326 H326 . . . 124.3(14) ?
C325' C326 H326' . . . 96.7(11) ?
C326' C326 H326 . . . 112(3) ?
C326' C326 H326' . . . 63(2) ?
H326 C326 H326' . . . 48.9(7) ?
C321 C322' C322 . . . 74.2(6) ?
C321 C322' C323 . . . 104.7(4) ?
C321 C322' C323' . . . 120.8(5) ?
C321 C322' H322 . . . 93.5(3) ?
C321 C322' H322' . . . 119.7(5) ?
C322 C322' C323 . . . 56.7(6) ?
C322 C322' C323' . . . 87.8(7) ?
C322 C322' H322 . . . 38.9(6) ?
C322 C322' H322' . . . 108.9(8) ?
C323 C322' C323' . . . 31.2(4) ?
C323 C322' H322 . . . 81.9(4) ?
C323 C322' H322' . . . 127.8(6) ?
C323' C322' H322 . . . 106.6(4) ?
C323' C322' H322' . . . 119.5(5) ?
H322 C322' H322' . . . 70.0(3) ?
C322 C323' C323 . . . 61.3(7) ?
C322 C323' C324 . . . 104.0(5) ?
C322 C323' C322' . . . 32.4(4) ?
C322 C323' H323 . . . 83.3(4) ?
C322 C323' H323' . . . 126.2(6) ?
C323 C323' C324 . . . 65.9(7) ?
C323 C323' C322' . . . 93.6(7) ?
C323 C323' H323 . . . 37.6(5) ?
C323 C323' H323' . . . 109.7(8) ?
C324 C323' C322' . . . 118.9(5) ?
C324 C323' H323 . . . 86.1(4) ?
C324 C323' H323' . . . 120.5(5) ?
C322' C323' H323 . . . 112.1(5) ?
C322' C323' H323' . . . 120.5(6) ?
H323 C323' H323' . . . 72.1(4) ?
C324 C325' C325 . . . 83(4) ?
C324 C325' C326 . . . 116.2(13) ?
C324 C325' C326' . . . 120.8(16) ?
C324 C325' H325 . . . 108.6(15) ?
C324 C325' H325' . . . 119.0(18) ?
C325 C325' C326 . . . 70(3) ?
C325 C325' C326' . . . 88(3) ?
C325 C325' H325 . . . 54(3) ?
C325 C325' H325' . . . 98(4) ?
C326 C325' C326' . . . 17.8(8) ?
C326 C325' H325 . . . 100.5(15) ?
C326 C325' H325' . . . 121(2) ?
C326' C325' H325 . . . 112.4(19) ?
C326' C325' H325' . . . 120(2) ?
H325 C325' H325' . . . 43.8(9) ?
C321 C326' C325 . . . 118.6(12) ?
C321 C326' C326 . . . 73(2) ?
C321 C326' C325' . . . 123.8(14) ?
C321 C326' H326 . . . 99.1(8) ?
C321 C326' H326' . . . 117.6(12) ?
C325 C326' C326 . . . 86(3) ?
C325 C326' C325' . . . 20.3(11) ?
C325 C326' H326 . . . 105.9(15) ?
C325 C326' H326' . . . 119.5(17) ?
C326 C326' C325' . . . 106(3) ?
C326 C326' H326 . . . 46(2) ?
C326 C326' H326' . . . 90(3) ?
C325' C326' H326 . . . 120.6(16) ?
C325' C326' H326' . . . 118.5(16) ?
H326 C326' H326' . . . 44.2(6) ?
P3 C331 C332 . . . 117.48(18) ?
P3 C331 C336 . . . 123.63(19) ?
C332 C331 C336 . . . 118.8(2) ?
C331 C332 C333 . . . 120.0(3) ?
C331 C332 H332 . . . 120.0(3) ?
C333 C332 H332 . . . 119.9(3) ?
C332 C333 C334 . . . 120.5(3) ?
C332 C333 H333 . . . 119.4(3) ?
C334 C333 H333 . . . 120.1(3) ?
C333 C334 C335 . . . 120.4(3) ?
C333 C334 H334 . . . 119.7(4) ?
C335 C334 H334 . . . 119.9(4) ?
C334 C335 C336 . . . 119.7(3) ?
C334 C335 H335 . . . 120.1(3) ?
C336 C335 H335 . . . 120.2(3) ?
C331 C336 C335 . . . 120.5(3) ?
C331 C336 H336 . . . 120.0(3) ?
C335 C336 H336 . . . 119.5(3) ?
C1 O11 O12' . . . 70.8(5) ?
C1 O11 H11 . . . 103.0(3) ?
O12' O11 H11 . . . 39.8(4) ?
C1 O12 O12' . . . 77.8(5) ?
C1 O12 C1' . . . 82.9(11) ?
O12' O12 C1' . . . 28.2(12) ?
O11 C1 O12 . . . 130.0(5) ?
O11 C1 O12' . . . 71.4(5) ?
O11 C1 C1' . . . 99.4(10) ?
O11 C1 H1 . . . 110.8(4) ?
O12 C1 O12' . . . 68.0(5) ?
O12 C1 C1' . . . 51.1(10) ?
O12 C1 H1 . . . 118.3(5) ?
O12' C1 C1' . . . 29.4(10) ?
O12' C1 H1 . . . 155.4(5) ?
C1' C1 H1 . . . 134.1(9) ?
O11 O12' O12 . . . 69.2(5) ?
O11 O12' C1 . . . 37.8(3) ?
O11 O12' C1' . . . 87.7(16) ?
O11 O12' H11 . . . 31.8(3) ?
O12 O12' C1 . . . 34.1(3) ?
O12 O12' C1' . . . 36.0(14) ?
O12 O12' H11 . . . 88.8(7) ?
C1 O12' C1' . . . 51.3(15) ?
C1 O12' H11 . . . 65.4(5) ?
C1' O12' H11 . . . 116.7(17) ?
O12 C1' C1 . . . 46.1(8) ?
O12 C1' O12' . . . 116(2) ?
C1 C1' O12' . . . 99.3(18) ?
C0 H0 O2' . . . 101.5(15) ?
C112 H112 C112' . . . 17.5(11) ?
C112 H112 H112' . . . 63.1(8) ?
C112' H112 H112' . . . 45.8(7) ?
C114 H114 C114' . . . 38.8(5) ?
C114 H114 H114' . . . 86.4(4) ?
C114' H114 H114' . . . 48.0(3) ?
C112 H112' C112' . . . 25.3(9) ?
C112 H112' H112 . . . 50.5(6) ?
C112' H112' H112 . . . 75.7(7) ?
C114 H114' C114' . . . 39.9(5) ?
C114 H114' H114 . . . 49.8(3) ?
C114' H114' H114 . . . 89.3(4) ?
C322 H322 C322' . . . 34.1(5) ?
C323 H323 C323' . . . 33.5(6) ?
C325 H325 C325' . . . 24.7(13) ?
C325 H325 H325' . . . 80.4(10) ?
C325' H325 H325' . . . 55.7(8) ?
C326 H326 C326' . . . 22.2(9) ?
C326 H326 H326' . . . 75.4(7) ?
C326' H326 H326' . . . 53.3(6) ?
C322 H322' C322' . . . 33.4(5) ?
C323 H323' C323' . . . 33.4(5) ?
C325 H325' C325' . . . 25.2(15) ?
C325 H325' H325 . . . 55.4(10) ?
C325' H325' H325 . . . 80.6(11) ?
C326 H326' C326' . . . 26.8(10) ?
C326 H326' H326 . . . 55.7(7) ?
C326' H326' H326 . . . 82.5(8) ?
O2 H11 O11 . . . 150.0(2) ?
O2 H11 O12' . . . 99.8(6) ?
O11 H11 O12' . . . 108.4(6) ?
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 . . 2.509(3) ?
Ag O1' . . 2.147(14) ?
Ag P1 . . 2.5200(7) ?
Ag P2 . . 2.5237(7) ?
Ag P3 . . 2.4953(7) ?
C0 O1 . . 1.187(5) ?
C0 O2 . . 1.280(5) ?
C0 O1' . . 1.217(15) ?
C0 O2' . . 1.226(17) ?
C0 H0 . . .941(3) ?
O1 O1' . . 1.086(16) ?
O1 O2' . . 1.950(16) ?
O2 O1' . . 1.577(15) ?
O2 H11 . . 1.541(3) ?
O2' H0 . . .619(16) ?
P1 C111 . . 1.832(3) ?
P1 C121 . . 1.824(3) ?
P1 C131 . . 1.829(2) ?
C111 C112 . . 1.404(17) ?
C111 C116 . . 1.435(6) ?
C111 C112' . . 1.292(18) ?
C111 C116' . . 1.487(7) ?
C112 C113 . . 1.402(15) ?
C112 C112' . . .475(17) ?
C112 H112 . . .957(13) ?
C112 H112' . . 1.106(16) ?
C113 C114 . . 1.240(8) ?
C113 C112' . . 1.383(17) ?
C113 C114' . . 1.461(8) ?
C113 H113 . . .953(3) ?
C114 C115 . . 1.390(9) ?
C114 C114' . . .801(10) ?
C114 C115' . . 1.941(9) ?
C114 H114 . . .955(7) ?
C114 H114' . . 1.248(7) ?
C115 C116 . . 1.394(8) ?
C115 C114' . . 1.588(10) ?
C115 C115' . . 1.531(9) ?
C115 H115 . . .942(6) ?
C116 C115' . . 1.888(9) ?
C116 C116' . . 1.282(9) ?
C116 H116 . . .951(5) ?
C112' H112 . . 1.291(13) ?
C112' H112' . . .955(16) ?
C114' C115' . . 1.407(10) ?
C114' H114 . . 1.276(7) ?
C114' H114' . . .948(7) ?
C115' C116' . . 1.366(9) ?
C115' H115' . . .952(7) ?
C116' H116' . . .955(6) ?
C121 C122 . . 1.388(4) ?
C121 C126 . . 1.406(4) ?
C122 C123 . . 1.387(4) ?
C122 H122 . . .952(3) ?
C123 C124 . . 1.377(5) ?
C123 H123 . . .951(3) ?
C124 C125 . . 1.369(5) ?
C124 H124 . . .952(3) ?
C125 C126 . . 1.383(4) ?
C125 H125 . . .953(3) ?
C126 H126 . . .951(3) ?
C131 C132 . . 1.380(4) ?
C131 C136 . . 1.395(4) ?
C132 C133 . . 1.386(4) ?
C132 H132 . . .954(3) ?
C133 C134 . . 1.378(5) ?
C133 H133 . . .946(3) ?
C134 C135 . . 1.383(5) ?
C134 H134 . . .949(3) ?
C135 C136 . . 1.383(4) ?
C135 H135 . . .948(3) ?
C136 H136 . . .951(3) ?
P2 C211 . . 1.822(3) ?
P2 C221 . . 1.828(2) ?
P2 C231 . . 1.822(3) ?
C211 C212 . . 1.391(5) ?
C211 C216 . . 1.386(4) ?
C212 C213 . . 1.396(6) ?
C212 H212 . . .945(4) ?
C213 C214 . . 1.358(9) ?
C213 H213 . . .944(6) ?
C214 C215 . . 1.366(7) ?
C214 H214 . . .952(4) ?
C215 C216 . . 1.397(5) ?
C215 H215 . . .960(4) ?
C216 H216 . . .952(3) ?
C221 C222 . . 1.404(4) ?
C221 C226 . . 1.392(4) ?
C222 C223 . . 1.393(4) ?
C222 H222 . . .945(3) ?
C223 C224 . . 1.378(4) ?
C223 H223 . . .949(3) ?
C224 C225 . . 1.382(4) ?
C224 H224 . . .952(3) ?
C225 C226 . . 1.389(4) ?
C225 H225 . . .951(3) ?
C226 H226 . . .952(3) ?
C231 C232 . . 1.392(4) ?
C231 C236 . . 1.402(4) ?
C232 C233 . . 1.388(4) ?
C232 H232 . . .950(3) ?
C233 C234 . . 1.395(5) ?
C233 H233 . . .950(3) ?
C234 C235 . . 1.371(5) ?
C234 H234 . . .949(4) ?
C235 C236 . . 1.394(4) ?
C235 H235 . . .954(3) ?
C236 H236 . . .949(3) ?
P3 C311 . . 1.828(2) ?
P3 C321 . . 1.831(2) ?
P3 C331 . . 1.831(2) ?
C311 C312 . . 1.390(3) ?
C311 C316 . . 1.388(4) ?
C312 C313 . . 1.383(4) ?
C312 H312 . . .949(2) ?
C313 C314 . . 1.384(4) ?
C313 H313 . . .949(3) ?
C314 C315 . . 1.374(4) ?
C314 H314 . . .948(3) ?
C315 C316 . . 1.388(4) ?
C315 H315 . . .950(3) ?
C316 H316 . . .954(3) ?
C321 C322 . . 1.427(7) ?
C321 C326 . . 1.338(14) ?
C321 C322' . . 1.399(6) ?
C321 C326' . . 1.393(15) ?
C322 C323 . . 1.399(10) ?
C322 C322' . . .854(10) ?
C322 C323' . . 1.591(9) ?
C322 H322 . . .957(8) ?
C322 H322' . . 1.469(8) ?
C323 C324 . . 1.350(10) ?
C323 C322' . . 1.672(10) ?
C323 C323' . . .868(11) ?
C323 H323 . . .960(7) ?
C323 H323' . . 1.486(8) ?
C324 C325 . . 1.37(2) ?
C324 C323' . . 1.446(7) ?
C324 C325' . . 1.34(2) ?
C324 H324 . . .949(3) ?
C325 C326 . . 1.45(2) ?
C325 C325' . . .49(2) ?
C325 C326' . . 1.40(3) ?
C325 H325 . . .94(2) ?
C325 H325' . . 1.131(17) ?
C326 C325' . . 1.54(2) ?
C326 C326' . . .492(18) ?
C326 H326 . . .932(15) ?
C326 H326' . . 1.092(13) ?
C322' C323' . . 1.376(8) ?
C322' H322 . . 1.458(6) ?
C322' H322' . . .951(6) ?
C323' H323 . . 1.488(6) ?
C323' H323' . . .949(6) ?
C325' C326' . . 1.33(2) ?
C325' H325 . . 1.14(2) ?
C325' H325' . . .96(2) ?
C326' H326 . . 1.208(15) ?
C326' H326' . . .976(14) ?
C331 C332 . . 1.395(4) ?
C331 C336 . . 1.393(4) ?
C332 C333 . . 1.389(4) ?
C332 H332 . . .949(3) ?
C333 C334 . . 1.366(5) ?
C333 H333 . . .952(3) ?
C334 C335 . . 1.380(5) ?
C334 H334 . . .954(3) ?
C335 C336 . . 1.390(4) ?
C335 H335 . . .950(3) ?
C336 H336 . . .951(3) ?
O11 C1 . . 1.223(6) ?
O11 O12' . . 1.889(12) ?
O11 H11 . . 1.048(3) ?
O12 C1 . . 1.080(6) ?
O12 O12' . . 1.785(14) ?
O12 C1' . . 1.17(2) ?
C1 O12' . . 1.882(13) ?
C1 C1' . . 1.49(2) ?
C1 H1 . . 1.104(5) ?
O12' C1' . . .94(3) ?
O12' H11 . . 1.275(12) ?
H112 H112' . . 1.13573(12) ?
H114 H114' . . .86623(8) ?
H325 H325' . . .80017(8) ?
H326 H326' . . .84970(9) ?
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 3.137(3) . . ?
Ag O2 3.204(3) . . ?
Ag C121 3.612(3) . . ?
Ag C131 3.685(2) . . ?
Ag C211 3.679(3) . . ?
Ag C221 3.645(2) . . ?
Ag C321 3.660(2) . . ?
Ag C331 3.608(2) . . ?
Ag H116 3.2717(4) . . ?
Ag H116' 3.2784(4) . . ?
Ag H132 3.0748(3) . . ?
Ag H322 3.1979(4) . . ?
Ag H332 3.2802(4) . . ?
C0 O12' 2.779(14) . . ?
C0 H11 2.476(5) . . ?
O1 O2 2.225(4) . . ?
O1 H0 1.810(3) . . ?
O1 H116' 2.176(3) . . ?
O2 O2' 2.130(17) . . ?
O2 O11 2.505(4) . . ?
O2 O12' 2.161(13) . . ?
O2 H0 1.885(3) . . ?
O2 H222 2.547(3) . . ?
O2 H312 2.384(2) . . ?
O1' O2' 2.20(2) . . ?
O1' P3 3.421(15) . . ?
O1' H0 2.116(14) . . ?
O1' H312 2.467(15) . . ?
O2' O12' 2.58(2) . . ?
O2' H124 2.603(16) . '3 655' ?
O2' H324 2.647(16) . 3 ?
O2' H333 2.532(16) . '2 545' ?
P1 C112 2.861(17) . . ?
P1 C116 2.806(5) . . ?
P1 C112' 2.816(17) . . ?
P1 C116' 2.787(7) . . ?
P1 C122 2.817(3) . . ?
P1 C126 2.791(3) . . ?
P1 C132 2.757(3) . . ?
P1 C136 2.854(3) . . ?
P1 H112 2.9829(7) . . ?
P1 H116 2.8781(7) . . ?
P1 H112' 2.9350(7) . . ?
P1 H116' 2.8216(7) . . ?
P1 H122 2.9202(7) . . ?
P1 H126 2.8684(7) . . ?
P1 H132 2.8108(7) . . ?
P1 H136 2.9718(7) . . ?
P1 H322 3.1181(8) . . ?
C111 C113 2.393(4) . . ?
C111 C114 2.790(7) . . ?
C111 C115 2.458(6) . . ?
C111 C114' 2.821(8) . . ?
C111 C115' 2.470(7) . . ?
C111 C121 2.866(4) . . ?
C111 C131 2.880(4) . . ?
C111 H112 2.054(3) . . ?
C111 H116 2.078(3) . . ?
C111 H112' 1.932(2) . . ?
C111 H116' 2.124(2) . . ?
C112 C114 2.361(15) . . ?
C112 C115 2.778(14) . . ?
C112 C116 2.414(15) . . ?
C112 C114' 2.440(16) . . ?
C112 C115' 2.758(17) . . ?
C112 C116' 2.370(18) . . ?
C112 H113 2.018(17) . . ?
C113 C115 2.282(7) . . ?
C113 C116 2.685(6) . . ?
C113 C115' 2.458(8) . . ?
C113 C116' 2.789(7) . . ?
C113 H112 2.086(3) . . ?
C113 H114 1.908(3) . . ?
C113 H112' 1.987(3) . . ?
C113 H114' 2.114(3) . . ?
C114 C116 2.393(8) . . ?
C114 C112' 2.201(16) . . ?
C114 C116' 2.701(9) . . ?
C114 H113 1.873(7) . . ?
C114 H115 2.036(7) . . ?
C114 H115' 2.642(7) . . ?
C115 C112' 2.521(15) . . ?
C115 C116' 2.040(9) . . ?
C115 H114 2.038(6) . . ?
C115 H116 2.040(6) . . ?
C115 H114' 2.110(6) . . ?
C115 H115' 2.133(5) . . ?
C115 H323 2.498(6) . . ?
C116 C112' 2.154(17) . . ?
C116 C114' 2.484(9) . . ?
C116 C322 2.762(9) . . ?
C116 H115 2.046(5) . . ?
C116 H115' 2.599(5) . . ?
C116 H116' 1.918(5) . . ?
C116 H322 2.133(5) . . ?
C112' C114' 2.414(17) . . ?
C112' C115' 2.751(17) . . ?
C112' C116' 2.360(18) . . ?
C112' H113 2.094(17) . . ?
C114' C116' 2.405(9) . . ?
C114' H113 2.059(7) . . ?
C114' H115 2.187(8) . . ?
C114' H115' 2.049(7) . . ?
C115' H114 2.535(7) . . ?
C115' H115 2.006(8) . . ?
C115' H116 2.510(7) . . ?
C115' H114' 2.061(7) . . ?
C115' H116' 2.030(7) . . ?
C116' H115 2.682(7) . . ?
C116' H116 1.769(7) . . ?
C116' H115' 2.021(7) . . ?
C121 C123 2.407(4) . . ?
C121 C124 2.781(4) . . ?
C121 C125 2.418(4) . . ?
C121 C131 2.886(4) . . ?
C121 H122 2.035(3) . . ?
C121 H126 2.051(3) . . ?
C122 C124 2.397(4) . . ?
C122 C125 2.767(4) . . ?
C122 C126 2.402(4) . . ?
C122 H123 2.036(3) . . ?
C123 C125 2.383(5) . . ?
C123 C126 2.762(4) . . ?
C123 H122 2.036(3) . . ?
C123 H124 2.024(3) . . ?
C124 C126 2.387(4) . . ?
C124 H123 2.026(4) . . ?
C124 H125 2.022(4) . . ?
C125 H124 2.023(3) . . ?
C125 H126 2.034(3) . . ?
C126 H125 2.032(3) . . ?
C131 C133 2.412(4) . . ?
C131 C134 2.789(4) . . ?
C131 C135 2.416(4) . . ?
C131 H132 2.025(3) . . ?
C131 H136 2.042(3) . . ?
C132 C134 2.391(5) . . ?
C132 C135 2.755(4) . . ?
C132 C136 2.381(4) . . ?
C132 H133 2.035(3) . . ?
C133 C135 2.389(5) . . ?
C133 C136 2.761(5) . . ?
C133 H132 2.031(4) . . ?
C133 H134 2.030(4) . . ?
C134 C136 2.396(4) . . ?
C134 H133 2.022(4) . . ?
C134 H135 2.029(4) . . ?
C135 H134 2.029(3) . . ?
C135 H136 2.028(3) . . ?
C136 H112' 2.592(3) . . ?
C136 H135 2.032(3) . . ?
P2 C212 2.759(4) . . ?
P2 C216 2.829(3) . . ?
P2 C222 2.765(3) . . ?
P2 C226 2.843(3) . . ?
P2 C232 2.776(3) . . ?
P2 C236 2.833(3) . . ?
P2 H212 2.8306(7) . . ?
P2 H216 2.9422(7) . . ?
P2 H222 2.8314(7) . . ?
P2 H226 2.9574(7) . . ?
P2 H232 2.8446(7) . . ?
P2 H236 2.9430(7) . . ?
C211 C213 2.409(6) . . ?
C211 C214 2.775(5) . . ?
C211 C215 2.410(5) . . ?
C211 C221 2.877(4) . . ?
C211 C231 2.856(4) . . ?
C211 H212 2.039(3) . . ?
C211 H216 2.036(3) . . ?
C211 H236 2.594(3) . . ?
C212 C214 2.392(6) . . ?
C212 C215 2.762(6) . . ?
C212 C216 2.395(5) . . ?
C212 H213 2.042(4) . . ?
C213 C215 2.365(8) . . ?
C213 C216 2.757(7) . . ?
C213 H212 2.040(5) . . ?
C213 H214 2.018(6) . . ?
C214 C216 2.394(5) . . ?
C214 H213 1.995(7) . . ?
C214 H215 2.030(7) . . ?
C215 H214 2.005(4) . . ?
C215 H216 2.046(4) . . ?
C216 H215 2.046(3) . . ?
C221 C223 2.416(4) . . ?
C221 C224 2.782(4) . . ?
C221 C225 2.410(4) . . ?
C221 C231 2.880(3) . . ?
C221 H216 2.605(2) . . ?
C221 H222 2.050(2) . . ?
C221 H226 2.041(2) . . ?
C222 C224 2.404(4) . . ?
C222 C225 2.781(4) . . ?
C222 C226 2.415(4) . . ?
C222 H223 2.037(3) . . ?
C223 C225 2.394(4) . . ?
C223 C226 2.775(4) . . ?
C223 H222 2.039(3) . . ?
C223 H224 2.027(3) . . ?
C224 C226 2.401(4) . . ?
C224 H123 2.697(3) . '4 455' ?
C224 H223 2.026(3) . . ?
C224 H225 2.029(3) . . ?
C225 H224 2.030(3) . . ?
C225 H226 2.039(3) . . ?
C226 H225 2.041(3) . . ?
C231 C233 2.420(4) . . ?
C231 C234 2.793(4) . . ?
C231 C235 2.421(4) . . ?
C231 H226 2.625(2) . . ?
C231 H232 2.035(2) . . ?
C231 H236 2.048(2) . . ?
C232 C234 2.403(5) . . ?
C232 C235 2.767(4) . . ?
C232 C236 2.403(4) . . ?
C232 H233 2.038(3) . . ?
C233 C235 2.397(4) . . ?
C233 C236 2.781(4) . . ?
C233 C1' 2.98(2) . 2 ?
C233 H232 2.031(3) . . ?
C233 H234 2.040(3) . . ?
C234 C236 2.402(5) . . ?
C234 H233 2.045(3) . . ?
C234 H235 2.024(3) . . ?
C234 H323' 2.588(3) . 4 ?
C235 H234 2.021(3) . . ?
C235 H236 2.041(3) . . ?
C236 H235 2.039(3) . . ?
P3 C312 2.773(3) . . ?
P3 C316 2.830(3) . . ?
P3 C322 2.801(6) . . ?
P3 C326 2.773(13) . . ?
P3 C322' 2.776(5) . . ?
P3 C326' 2.876(15) . . ?
P3 C332 2.767(3) . . ?
P3 C336 2.850(3) . . ?
P3 H312 2.8379(7) . . ?
P3 H316 2.9404(7) . . ?
P3 H322 2.8815(7) . . ?
P3 H326 2.8695(7) . . ?
P3 H322' 2.8395(7) . . ?
P3 H326' 2.9817(7) . . ?
P3 H332 2.8309(7) . . ?
P3 H336 2.9684(7) . . ?
C311 C313 2.409(3) . . ?
C311 C314 2.783(4) . . ?
C311 C315 2.408(4) . . ?
C311 C321 2.850(3) . . ?
C311 C331 2.851(3) . . ?
C311 H312 2.033(2) . . ?
C311 H316 2.039(2) . . ?
C311 H326 2.529(2) . . ?
C311 H326' 2.631(2) . . ?
C312 C314 2.396(4) . . ?
C312 C315 2.760(4) . . ?
C312 C316 2.391(4) . . ?
C312 H313 2.035(2) . . ?
C313 C315 2.388(4) . . ?
C313 C316 2.764(4) . . ?
C313 H312 2.029(3) . . ?
C313 H314 2.033(3) . . ?
C314 C316 2.396(4) . . ?
C314 H313 2.028(3) . . ?
C314 H315 2.024(3) . . ?
C315 H314 2.023(3) . . ?
C315 H316 2.036(3) . . ?
C316 H315 2.033(3) . . ?
C321 C323 2.436(7) . . ?
C321 C324 2.794(4) . . ?
C321 C325 2.401(18) . . ?
C321 C323' 2.413(6) . . ?
C321 C325' 2.403(19) . . ?
C321 C331 2.888(3) . . ?
C321 H322 2.081(2) . . ?
C321 H326 1.983(2) . . ?
C321 H322' 2.044(2) . . ?
C321 H326' 2.038(2) . . ?
C321 H336 2.689(2) . . ?
C322 C324 2.395(8) . . ?
C322 C325 2.75(2) . . ?
C322 C326 2.391(16) . . ?
C322 C325' 2.66(2) . . ?
C322 C326' 2.279(17) . . ?
C322 H116 2.034(8) . . ?
C322 H323 2.048(6) . . ?
C322 H323' 2.284(7) . . ?
C323 C325 2.35(2) . . ?
C323 C326 2.777(16) . . ?
C323 C325' 2.23(2) . . ?
C323 C326' 2.612(16) . . ?
C323 H116 2.643(9) . . ?
C323 H322 2.058(9) . . ?
C323 H324 2.008(9) . . ?
C323 H322' 2.377(9) . . ?
C324 C326 2.453(14) . . ?
C324 C322' 2.431(6) . . ?
C324 C326' 2.325(14) . . ?
C324 H323 2.004(3) . . ?
C324 H325 2.021(3) . . ?
C324 H323' 2.095(3) . . ?
C324 H325' 1.990(3) . . ?
C325 C322' 2.70(2) . . ?
C325 C323' 2.34(2) . . ?
C325 H324 2.02(2) . . ?
C325 H326 2.09(2) . . ?
C325 H326' 2.06(2) . . ?
C326 C322' 2.307(15) . . ?
C326 C323' 2.734(16) . . ?
C326 H325 2.080(13) . . ?
C326 H325' 2.197(12) . . ?
C322' C325' 2.76(2) . . ?
C322' C326' 2.370(15) . . ?
C322' H323 2.377(5) . . ?
C322' H323' 2.030(5) . . ?
C323' C325' 2.40(2) . . ?
C323' C326' 2.723(15) . . ?
C323' H226 2.622(6) . '4 454' ?
C323' H322 2.272(6) . . ?
C323' H324 2.039(6) . . ?
C323' H322' 2.021(6) . . ?
C325' H324 2.03(2) . . ?
C325' H326 2.21(2) . . ?
C325' H326' 1.99(2) . . ?
C326' H325 2.058(16) . . ?
C326' H325' 1.992(15) . . ?
C331 C333 2.411(4) . . ?
C331 C334 2.781(4) . . ?
C331 C335 2.416(4) . . ?
C331 H316 2.626(2) . . ?
C331 H332 2.042(2) . . ?
C331 H336 2.042(2) . . ?
C332 C334 2.392(4) . . ?
C332 C335 2.770(4) . . ?
C332 C336 2.400(4) . . ?
C332 H333 2.033(3) . . ?
C333 C335 2.383(5) . . ?
C333 C336 2.762(4) . . ?
C333 H332 2.036(3) . . ?
C333 H334 2.017(3) . . ?
C334 C336 2.396(4) . . ?
C334 H333 2.019(4) . . ?
C334 H335 2.030(4) . . ?
C335 H334 2.031(3) . . ?
C335 H336 2.034(3) . . ?
C336 H335 2.040(3) . . ?
O11 O12 2.088(6) . . ?
O11 C1' 2.07(2) . . ?
O11 H1 1.917(4) . . ?
O12 H233 2.443(5) . '2 545' ?
O12 H313 2.457(4) . . ?
O12 H1 1.875(4) . . ?
O12 H11 2.172(5) . . ?
C1 H11 1.781(5) . . ?
O12' H0 2.690(13) . . ?
C1' H233 2.27(2) . '2 545' ?
C1' H1 2.39(2) . . ?
C1' H11 1.89(2) . . ?
H112 H113 2.3552(2) . . ?
H112 H136 2.3726(3) . . ?
H113 H114 2.1504(2) . . ?
H113 H112' 2.3864(2) . . ?
H114 H115 2.3373(3) . . ?
H115 H116 2.3529(2) . . ?
H115 H114' 2.3749(2) . . ?
H115 H115' 2.2151(2) . . ?
H115 H323 2.1994(2) . . ?
H115 H326' 2.12774(19) . 3 ?
H116 H116' 1.95097(19) . . ?
H116 H322 1.48812(14) . . ?
H112' H136 2.2414(2) . . ?
H114' H115' 2.3649(3) . . ?
H115' H116' 2.3399(2) . . ?
H122 H123 2.3355(3) . . ?
H123 H124 2.3202(3) . . ?
H124 H125 2.3243(2) . . ?
H125 H126 2.3336(3) . . ?
H126 H213 2.3131(2) . '3 655' ?
H132 H133 2.3323(3) . . ?
H133 H134 2.3279(2) . . ?
H134 H135 2.32619(19) . . ?
H135 H136 2.3274(3) . . ?
H212 H213 2.3452(2) . . ?
H213 H214 2.3044(3) . . ?
H214 H215 2.3101(2) . . ?
H215 H216 2.3442(2) . . ?
H222 H223 2.3373(3) . . ?
H223 H224 2.3260(3) . . ?
H224 H225 2.32553(19) . . ?
H225 H226 2.3433(3) . . ?
H232 H233 2.3325(2) . . ?
H233 H234 2.3459(3) . . ?
H234 H235 2.3228(2) . . ?
H235 H236 2.3370(2) . . ?
H312 H313 2.3358(2) . . ?
H313 H314 2.32835(19) . . ?
H314 H315 2.3241(3) . . ?
H315 H316 2.3302(2) . . ?
H322 H323 2.3561(2) . . ?
H322 H322' 1.44239(15) . . ?
H323 H324 2.3157(3) . . ?
H323 H323' 1.49890(16) . . ?
H324 H325 2.3321(3) . . ?
H324 H323' 2.3352(2) . . ?
H324 H325' 2.3417(3) . . ?
H325 H326 2.3824(2) . . ?
H325 H326' 2.3745(2) . . ?
H322' H323' 2.3254(2) . . ?
H325' H326' 2.2792(2) . . ?
H332 H333 2.3300(3) . . ?
H333 H334 2.3162(2) . . ?
H334 H335 2.33113(19) . . ?
H335 H336 2.3358(3) . . ?
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
? ? ? ? ? ? ? ? ? ?
