#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/31/7013164.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_7013164
loop_
_publ_author_name
'Fleming, Sean'
'Gutsche, C. David'
'Harrowfield, Jack M.'
'Ogden, Mark I.'
'Skelton, Brian W.'
'Stewart, Donald F.'
'White, Allan H.'
_publ_section_title
;
 Calixarenes as aryloxides: oligonuclear europium(iii) derivatives
;
_journal_issue                   17
_journal_name_full               'Dalton Transactions'
_journal_page_first              3319
_journal_paper_doi               10.1039/b305041f
_journal_year                    2003
_chemical_formula_sum            'C74.666 H98 Eu2 O17.333 S9.333'
_chemical_formula_weight         1876.1
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             99-11-10
_audit_creation_method           Xtal3.6
_cell_angle_alpha                90.00000
_cell_angle_beta                 101.227(2)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   21.507(2)
_cell_length_b                   18.007(2)
_cell_length_c                   21.564(2)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    150
_cell_measurement_theta_max      26
_cell_measurement_theta_min      2
_cell_volume                     8191.4(14)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'xtal ADDREF SORTRF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      150
_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  .028
_diffrn_reflns_av_sigmaI/netI    .054
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            79697
_diffrn_reflns_theta_max         29.23
_diffrn_reflns_theta_min         1.49
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.819
_exptl_absorpt_correction_T_max  .862
_exptl_absorpt_correction_T_min  .717
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Sheldrick, 1996
;
_exptl_crystal_density_diffrn    1.521
_exptl_crystal_description       block
_exptl_crystal_F_000             3839.88
_exptl_crystal_size_max          .25
_exptl_crystal_size_mid          .15
_exptl_crystal_size_min          .15
_refine_diff_density_max         2.524
_refine_diff_density_min         -1.676
_refine_ls_goodness_of_fit_all   1.453
_refine_ls_goodness_of_fit_ref   1.563
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           atomblock
_refine_ls_number_constraints    0
_refine_ls_number_parameters     1150
_refine_ls_number_reflns         15787
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          .067
_refine_ls_R_factor_gt           .042
_refine_ls_shift/su_max          .09
_refine_ls_shift/su_mean         .005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .056
_refine_ls_wR_factor_ref         .052
_reflns_d_resolution_high        .728
_reflns_d_resolution_low         13.658
_reflns_Friedel_coverage         0
_reflns_limit_h_max              28
_reflns_limit_h_min              0
_reflns_limit_k_max              24
_reflns_limit_k_min              0
_reflns_limit_l_max              28
_reflns_limit_l_min              -29
_reflns_number_gt                15787
_reflns_number_total             20612
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            b305041f.txt
_cod_data_source_block           eu8
_cod_original_sg_symbol_Hall     -p_2ybc
_cod_original_sg_symbol_H-M      P_1_21/c_1
_cod_database_code               7013164
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
-x,1/2+y,1/2-z
-x,-y,-z
+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
Eu1 .692776(9) .592931(10) .128152(9) .02538(9) Uani ? ? 1.00000 ? ?
Eu2 .754152(9) .414220(10) .080479(9) .02424(9) Uani ? ? 1.00000 ? ?
O11 .65884(15) .73742(18) .15142(15) .0432(17) Uani ? ? 1.00000 ? ?
C11 .6411(2) .7656(3) .2039(2) .044(2) Uani ? ? 1.00000 ? ?
C12 .6848(2) .8086(3) .2472(2) .045(2) Uani ? ? 1.00000 ? ?
C13 .6650(3) .8366(3) .3002(2) .052(3) Uani ? ? 1.00000 ? ?
C14 .6046(3) .8238(3) .3108(2) .057(3) Uani ? ? 1.00000 ? ?
C15 .5618(3) .7830(3) .2672(3) .052(3) Uani ? ? 1.00000 ? ?
C16 .5794(2) .7544(2) .2126(2) .041(2) Uani ? ? 1.00000 ? ?
C1 .7502(3) .8255(3) .2349(3) .053(3) Uani ? ? 1.00000 ? ?
O21 .58908(13) .58377(16) .12321(14) .0326(14) Uani ? ? 1.00000 ? ?
C21 .55009(19) .5739(2) .16275(19) .031(2) Uani ? ? 1.00000 ? ?
C22 .5176(2) .6351(3) .1833(2) .036(2) Uani ? ? 1.00000 ? ?
C23 .4747(2) .6230(3) .2229(2) .043(2) Uani ? ? 1.00000 ? ?
C24 .4632(2) .5529(3) .2436(2) .044(2) Uani ? ? 1.00000 ? ?
C25 .4953(2) .4932(3) .2245(2) .039(2) Uani ? ? 1.00000 ? ?
C26 .53907(19) .5021(2) .1853(2) .033(2) Uani ? ? 1.00000 ? ?
C2 .5308(2) .7131(3) .1636(2) .042(2) Uani ? ? 1.00000 ? ?
O31 .70576(13) .46627(15) .16005(12) .0279(13) Uani ? ? 1.00000 ? ?
C31 .69389(19) .4292(2) .21098(19) .0270(18) Uani ? ? 1.00000 ? ?
C32 .6319(2) .4130(2) .2181(2) .033(2) Uani ? ? 1.00000 ? ?
C33 .6217(2) .3761(3) .2716(2) .039(2) Uani ? ? 1.00000 ? ?
C34 .6717(2) .3549(3) .3191(2) .042(2) Uani ? ? 1.00000 ? ?
C35 .7333(2) .3699(2) .3120(2) .038(2) Uani ? ? 1.00000 ? ?
C36 .7454(2) .4055(2) .2585(2) .0302(19) Uani ? ? 1.00000 ? ?
C3 .57511(19) .4354(2) .1670(2) .032(2) Uani ? ? 1.00000 ? ?
O41 .78330(13) .31291(16) .15249(14) .0343(14) Uani ? ? 1.00000 ? ?
C41 .8338(2) .2989(2) .1976(2) .032(2) Uani ? ? 1.00000 ? ?
C42 .8512(2) .3483(2) .2485(2) .034(2) Uani ? ? 1.00000 ? ?
C43 .9049(2) .3344(3) .2952(2) .041(2) Uani ? ? 1.00000 ? ?
C44 .9421(2) .2721(3) .2922(2) .044(2) Uani ? ? 1.00000 ? ?
C45 .9247(2) .2229(3) .2429(2) .043(2) Uani ? ? 1.00000 ? ?
C46 .8711(2) .2340(2) .1956(2) .037(2) Uani ? ? 1.00000 ? ?
C4 .8131(2) .4180(2) .2511(2) .032(2) Uani ? ? 1.00000 ? ?
O51 .77479(14) .25992(18) .04368(16) .0424(17) Uani ? ? 1.00000 ? ?
C51 .8329(2) .2371(2) .0342(2) .036(2) Uani ? ? 1.00000 ? ?
C52 .8733(2) .1980(2) .0814(2) .038(2) Uani ? ? 1.00000 ? ?
C53 .9334(3) .1785(3) .0708(3) .053(3) Uani ? ? 1.00000 ? ?
C54 .9519(3) .1961(4) .0150(3) .064(4) Uani ? ? 1.00000 ? ?
C55 .9100(3) .2319(3) -.0329(3) .052(3) Uani ? ? 1.00000 ? ?
C56 .8500(2) .2530(2) -.0247(2) .040(2) Uani ? ? 1.00000 ? ?
C5 .8539(2) .1781(2) .1432(2) .042(2) Uani ? ? 1.00000 ? ?
O61 .76211(14) .41640(15) -.01942(14) .0325(14) Uani ? ? 1.00000 ? ?
C61 .7998(2) .4293(2) -.0596(2) .032(2) Uani ? ? 1.00000 ? ?
C62 .8233(2) .3697(2) -.0910(2) .039(2) Uani ? ? 1.00000 ? ?
C63 .8631(3) .3838(3) -.1333(3) .049(3) Uani ? ? 1.00000 ? ?
C64 .8801(3) .4558(3) -.1458(3) .052(3) Uani ? ? 1.00000 ? ?
C65 .8573(2) .5142(3) -.1155(2) .044(2) Uani ? ? 1.00000 ? ?
C66 .8170(2) .5032(2) -.0726(2) .035(2) Uani ? ? 1.00000 ? ?
C6 .8050(2) .2909(2) -.0780(2) .039(2) Uani ? ? 1.00000 ? ?
O71 .78000(12) .54217(14) .09100(13) .0283(13) Uani ? ? 1.00000 ? ?
C71 .83131(19) .5797(2) .0803(2) .0305(19) Uani ? ? 1.00000 ? ?
C72 .8394(2) .5947(2) .0189(2) .036(2) Uani ? ? 1.00000 ? ?
C73 .8935(2) .6347(3) .0101(3) .047(3) Uani ? ? 1.00000 ? ?
C74 .9395(2) .6569(3) .0615(3) .058(3) Uani ? ? 1.00000 ? ?
C75 .9307(2) .6415(3) .1217(3) .049(3) Uani ? ? 1.00000 ? ?
C76 .8769(2) .6049(2) .1329(2) .038(2) Uani ? ? 1.00000 ? ?
C7 .7934(2) .5681(2) -.0392(2) .033(2) Uani ? ? 1.00000 ? ?
O81 .76805(14) .69317(16) .16378(14) .0366(15) Uani ? ? 1.00000 ? ?
C81 .8094(2) .7063(2) .2184(2) .039(2) Uani ? ? 1.00000 ? ?
C82 .8607(2) .6582(3) .2384(2) .041(2) Uani ? ? 1.00000 ? ?
C83 .9025(2) .6717(3) .2952(3) .054(3) Uani ? ? 1.00000 ? ?
C84 .8941(3) .7306(3) .3337(3) .067(3) Uani ? ? 1.00000 ? ?
C85 .8441(3) .7779(3) .3134(3) .065(3) Uani ? ? 1.00000 ? ?
C86 .8019(3) .7685(3) .2557(3) .050(3) Uani ? ? 1.00000 ? ?
C8 .8685(2) .5903(2) .1991(2) .038(2) Uani ? ? 1.00000 ? ?
O1 .66201(12) .50465(15) .03506(13) .0278(13) Uani ? ? 1.00000 ? ?
S1 .60041(5) .48402(6) -.00936(5) .0333(5) Uani ? ? 1.00000 ? ?
C101 .6223(2) .4665(3) -.0830(2) .053(3) Uani ? ? 1.00000 ? ?
C102 .5595(2) .5694(3) -.0284(2) .040(2) Uani ? ? 1.00000 ? ?
O2 .68199(15) .67024(16) .03510(14) .0370(15) Uani ? ? 1.00000 ? ?
S2 .69322(6) .75311(6) .02776(6) .0432(6) Uani ? ? 1.00000 ? ?
C201 .7335(4) .7582(3) -.0366(4) .080(4) Uani ? ? 1.00000 ? ?
C202 .6196(3) .7885(3) -.0121(3) .064(3) Uani ? ? 1.00000 ? ?
O3 .69819(17) .59907(18) .23706(15) .0446(17) Uani ? ? 1.00000 ? ?
S3 .69838(8) .62613(9) .30393(7) .0381(8) Uani ? ? .720(3) ? ?
S3' .7013(3) .5683(3) .3031(2) .063(3) Uani ? ? .280(3) ? ?
C301 .6393(3) .5751(5) .3291(3) .079(4) Uani ? ? 1.00000 ? ?
C302 .7656(3) .5865(4) .3504(3) .066(4) Uani ? ? 1.00000 ? ?
O4 .65824(14) .34360(16) .05901(15) .0376(15) Uani ? ? 1.00000 ? ?
S4 .63848(6) .26304(7) .05032(7) .0480(6) Uani ? ? 1.00000 ? ?
C401 .5637(3) .2568(4) .0722(4) .088(5) Uani ? ? 1.00000 ? ?
C402 .6135(4) .2550(4) -.0332(4) .091(5) Uani ? ? 1.00000 ? ?
O5 .86517(14) .41417(17) .10014(16) .0399(16) Uani ? ? 1.00000 ? ?
S5 .92732(8) .38163(9) .09252(9) .0396(9) Uani ? ? .680(3) ? ?
S5' .93407(17) .4349(2) .1169(2) .045(2) Uani ? ? .320(3) ? ?
C501 .9576(2) .4468(4) .0428(3) .059(3) Uani ? ? 1.00000 ? ?
C502 .9789(3) .3912(7) .1590(5) .156(8) Uani ? ? 1.00000 ? ?
O6 .6389(2) .3951(3) -.3397(2) .084(3) Uani ? ? 1.00000 ? ?
S6 .70586(9) .38888(11) -.30176(10) .0839(12) Uani ? ? 1.00000 ? ?
C601 .7112(3) .3056(4) -.2578(3) .077(4) Uani ? ? 1.00000 ? ?
C602 .7102(4) .4513(4) -.2364(5) .108(6) Uani ? ? 1.00000 ? ?
O7 .4870(3) .8812(3) .0409(3) .106(4) Uani ? ? 1.00000 ? ?
S7 .50439(14) .92179(14) .10264(11) .0786(15) Uani ? ? .763(4) ? ?
S7' .5351(5) .9442(5) .0588(4) .098(6) Uani ? ? .237(4) ? ?
C701 .5862(5) .9294(5) .1156(5) .116(6) Uani ? ? 1.00000 ? ?
C702 .4838(5) 1.0154(6) .0892(4) .129(7) Uani ? ? 1.00000 ? ?
O8 .7072(3) .9394(3) -.0121(2) .097(3) Uani ? ? 1.00000 ? ?
S8 .7349(2) 1.00102(14) .02644(14) .152(2) Uani ? ? 1.00000 ? ?
C801 .6959(7) 1.0785(6) .0114(7) .181(11) Uani ? ? 1.00000 ? ?
C802 .8011(6) 1.0359(6) -.0164(6) .096(8) Uani ? ? .66700 ? ?
C802" .735(2) .994(3) .094(2) .22(2) Uiso ? ? .33300 ? ?
O9 .9553(12) .9780(14) -.1046(11) .16(2) Uani ? ? .33300 ? ?
S9 .9360(4) .9624(5) -.0506(4) .116(5) Uani ? ? .33300 ? ?
C901 .8840(11) 1.0377(13) -.0437(11) .087(6) Uiso ? ? .33300 ? ?
C902 .9975(12) .9897(14) .0175(10) .080(6) Uiso ? ? .33300 ? ?
O0 .9287(9) .9282(11) .1454(9) .243(10) Uiso ? ? .50000 ? ?
S0 .92166(17) .8689(2) .0982(2) .102(3) Uani ? ? .50000 ? ?
C001 .8540(7) .8239(8) .0982(6) .217(7) Uiso ? ? 1.00000 ? ?
C002 .9101(12) .9062(13) .0301(13) .228(16) Uiso ? ? .50000 ? ?
O0' .8904(8) .9735(10) .1120(7) .193(7) Uiso ? ? .50000 ? ?
S0' .8613(5) .9114(6) .1482(6) .347(18) Uani ? ? .50000 ? ?
C002' .9112(11) .8919(10) .2082(12) .181(11) Uiso ? ? .50000 ? ?
H11 .719(4) .721(4) .162(4) .12(3) Uiso ? ? 1.00000 ? ?
H13 .695(3) .869(3) .328(3) .066(17) Uiso ? ? 1.00000 ? ?
H14 .593(2) .839(2) .348(2) .036(12) Uiso ? ? 1.00000 ? ?
H15 .518(2) .773(2) .277(2) .037(12) Uiso ? ? 1.00000 ? ?
H1a .764(2) .871(3) .257(2) .039(13) Uiso ? ? 1.00000 ? ?
H1b .751(2) .835(2) .195(2) .032(12) Uiso ? ? 1.00000 ? ?
H23 .453(2) .666(2) .235(2) .039(13) Uiso ? ? 1.00000 ? ?
H24 .436(2) .547(3) .270(2) .037(12) Uiso ? ? 1.00000 ? ?
H25 .490(2) .450(3) .239(2) .042(13) Uiso ? ? 1.00000 ? ?
H2a .545(2) .715(3) .118(2) .057(15) Uiso ? ? 1.00000 ? ?
H2b .492(2) .748(2) .155(2) .035(12) Uiso ? ? 1.00000 ? ?
H33 .581(2) .367(3) .276(2) .048(14) Uiso ? ? 1.00000 ? ?
H34 .665(2) .331(3) .355(2) .045(13) Uiso ? ? 1.00000 ? ?
H35 .767(2) .354(2) .341(2) .030(11) Uiso ? ? 1.00000 ? ?
H3a .5870(17) .450(2) .1297(18) .019(10) Uiso ? ? 1.00000 ? ?
H3b .548(2) .392(2) .159(2) .029(11) Uiso ? ? 1.00000 ? ?
H43 .914(2) .371(3) .325(2) .052(15) Uiso ? ? 1.00000 ? ?
H44 .974(2) .261(2) .326(2) .036(12) Uiso ? ? 1.00000 ? ?
H45 .947(2) .177(3) .238(2) .050(14) Uiso ? ? 1.00000 ? ?
H4a .837(2) .446(2) .285(2) .034(12) Uiso ? ? 1.00000 ? ?
H4b .816(2) .445(3) .216(2) .037(12) Uiso ? ? 1.00000 ? ?
H51 .777(4) .281(4) .095(4) .12(3) Uiso ? ? 1.00000 ? ?
H53 .952(2) .143(3) .099(2) .045(13) Uiso ? ? 1.00000 ? ?
H54 .996(3) .175(4) .008(3) .09(2) Uiso ? ? 1.00000 ? ?
H55 .923(2) .242(3) -.077(2) .046(14) Uiso ? ? 1.00000 ? ?
H5a .811(2) .177(2) .1327(19) .029(11) Uiso ? ? 1.00000 ? ?
H5b .871(2) .127(3) .159(2) .047(14) Uiso ? ? 1.00000 ? ?
H63 .875(2) .340(3) -.151(2) .053(15) Uiso ? ? 1.00000 ? ?
H64 .909(2) .462(3) -.176(2) .040(13) Uiso ? ? 1.00000 ? ?
H65 .874(2) .567(3) -.120(2) .042(13) Uiso ? ? 1.00000 ? ?
H6a .764(3) .287(3) -.069(3) .074(18) Uiso ? ? 1.00000 ? ?
H6b .804(2) .261(3) -.116(2) .050(14) Uiso ? ? 1.00000 ? ?
H73 .897(2) .646(3) -.034(2) .050(14) Uiso ? ? 1.00000 ? ?
H74 .975(3) .681(3) .052(3) .073(18) Uiso ? ? 1.00000 ? ?
H75 .962(2) .656(3) .158(2) .045(14) Uiso ? ? 1.00000 ? ?
H7a .7555(17) .561(2) -.0275(17) .018(9) Uiso ? ? 1.00000 ? ?
H7b .782(2) .607(3) -.068(2) .044(13) Uiso ? ? 1.00000 ? ?
H83 .931(2) .643(3) .306(2) .048(14) Uiso ? ? 1.00000 ? ?
H84 .920(2) .739(3) .374(3) .062(16) Uiso ? ? 1.00000 ? ?
H85 .839(3) .816(3) .333(3) .08(2) Uiso ? ? 1.00000 ? ?
H8a .904(2) .563(3) .219(2) .055(15) Uiso ? ? 1.00000 ? ?
H8b .835(2) .555(2) .204(2) .036(12) Uiso ? ? 1.00000 ? ?
H101a .64598 .42167 -.08139 .08200 Uiso ? ? 1.00000 ? ?
H101b .64878 .50653 -.09297 .08200 Uiso ? ? 1.00000 ? ?
H101c .58603 .46345 -.11583 .08200 Uiso ? ? 1.00000 ? ?
H102a .54387 .58719 .00711 .06100 Uiso ? ? 1.00000 ? ?
H102b .52501 .56238 -.06292 .06100 Uiso ? ? 1.00000 ? ?
H102c .58776 .60547 -.04004 .06100 Uiso ? ? 1.00000 ? ?
H201a .70495 .75022 -.07575 .08700 Uiso ? ? 1.00000 ? ?
H201b .76658 .72220 -.03227 .08700 Uiso ? ? 1.00000 ? ?
H201c .75235 .80664 -.03817 .08700 Uiso ? ? 1.00000 ? ?
H202a .58970 .78964 .01619 .09500 Uiso ? ? 1.00000 ? ?
H202b .60196 .75743 -.04707 .09500 Uiso ? ? 1.00000 ? ?
H202c .62385 .83742 -.02686 .09500 Uiso ? ? 1.00000 ? ?
H301a .64933 .52249 .33062 .09500 Uiso ? ? .720(3) ? ?
H301b .59938 .58074 .30033 .09500 Uiso ? ? .720(3) ? ?
H301c .63405 .58975 .37007 .09500 Uiso ? ? .720(3) ? ?
H302a .76078 .53385 .35241 .08100 Uiso ? ? .720(3) ? ?
H302b .77227 .60617 .39212 .08100 Uiso ? ? .720(3) ? ?
H302c .80210 .59683 .33261 .08100 Uiso ? ? .720(3) ? ?
H301'a .63144 .62410 .33879 .09500 Uiso ? ? .280(3) ? ?
H301'b .64171 .54448 .36637 .09500 Uiso ? ? .280(3) ? ?
H301'c .60385 .55635 .29815 .09500 Uiso ? ? .280(3) ? ?
H302'a .76738 .63758 .36045 .08100 Uiso ? ? .280(3) ? ?
H302'b .80086 .57395 .33118 .08100 Uiso ? ? .280(3) ? ?
H302'c .76883 .55805 .38834 .08100 Uiso ? ? .280(3) ? ?
H401a .53067 .27044 .03862 .09900 Uiso ? ? 1.00000 ? ?
H401b .56244 .28993 .10760 .09900 Uiso ? ? 1.00000 ? ?
H401c .55648 .20765 .08593 .09900 Uiso ? ? 1.00000 ? ?
H402a .64824 .25482 -.05552 .13100 Uiso ? ? 1.00000 ? ?
H402b .58512 .29444 -.05133 .13100 Uiso ? ? 1.00000 ? ?
H402c .58979 .21080 -.04409 .13100 Uiso ? ? 1.00000 ? ?
H501a .95670 .49607 .05963 .07400 Uiso ? ? .680(3) ? ?
H501b .93236 .44616 .00132 .07400 Uiso ? ? .680(3) ? ?
H501c 1.00021 .43492 .04060 .07400 Uiso ? ? .680(3) ? ?
H502a .98623 .44622 .16802 .04900 Uiso ? ? .680(3) ? ?
H502b 1.01875 .37158 .15763 .17600 Uiso ? ? .680(3) ? ?
H502c .96357 .37305 .19447 .17600 Uiso ? ? .680(3) ? ?
H501'a .96314 .40034 .02468 .07400 Uiso ? ? .320(3) ? ?
H501'b .99665 .47409 .04876 .07400 Uiso ? ? .320(3) ? ?
H501'c .92606 .47467 .01489 .07400 Uiso ? ? .320(3) ? ?
H502'a .98491 .34672 .14372 .17600 Uiso ? ? .320(3) ? ?
H502'b .96552 .38954 .19944 .17600 Uiso ? ? .320(3) ? ?
H502'c 1.01902 .42018 .16761 .17600 Uiso ? ? .320(3) ? ?
H601a .70971 .26375 -.28511 .10600 Uiso ? ? 1.00000 ? ?
H601b .74964 .30429 -.22732 .10600 Uiso ? ? 1.00000 ? ?
H601c .67633 .30214 -.23607 .10600 Uiso ? ? 1.00000 ? ?
H602a .70739 .50189 -.25007 .14100 Uiso ? ? 1.00000 ? ?
H602b .67501 .44265 -.21484 .14100 Uiso ? ? 1.00000 ? ?
H602c .74830 .44480 -.20607 .14100 Uiso ? ? 1.00000 ? ?
H701a .59990 .95391 .08108 .13900 Uiso ? ? .763(4) ? ?
H701b .60593 .88060 .11959 .13900 Uiso ? ? .763(4) ? ?
H701c .60259 .95609 .15348 .13900 Uiso ? ? .763(4) ? ?
H702a .49684 1.03463 .05234 .15300 Uiso ? ? .763(4) ? ?
H702b .50402 1.04641 .12465 .15300 Uiso ? ? .763(4) ? ?
H702c .43906 1.02298 .08456 .15300 Uiso ? ? .763(4) ? ?
H701'a .56993 .92521 .15252 .13900 Uiso ? ? .237(4) ? ?
H701'b .61772 .96839 .12070 .13900 Uiso ? ? .237(4) ? ?
H701'c .60851 .88366 .10953 .13900 Uiso ? ? .237(4) ? ?
H702'a .47102 .99970 .12655 .15300 Uiso ? ? .237(4) ? ?
H702'b .44722 1.02742 .05790 .15300 Uiso ? ? .237(4) ? ?
H702'c .50728 1.06228 .09916 .15300 Uiso ? ? .237(4) ? ?
H801a .68481 1.08979 -.03208 .23000 Uiso ? ? 1.00000 ? ?
H801b .71760 1.12012 .03349 .23000 Uiso ? ? 1.00000 ? ?
H801c .65474 1.07590 .02670 .23000 Uiso ? ? 1.00000 ? ?
H802a .78368 1.04709 -.05969 .14000 Uiso ? ? .66700 ? ?
H802b .83289 .99860 -.01522 .14000 Uiso ? ? .66700 ? ?
H802c .82054 1.07969 .00345 .14000 Uiso ? ? .66700 ? ?
H802"a .77249 .96310 .11310 .26700 Uiso ? ? .33300 ? ?
H802"b .70062 .97994 .10498 .26700 Uiso ? ? .33300 ? ?
H802"c .74922 1.04458 .11385 .26700 Uiso ? ? .33300 ? ?
H901a .84808 1.03195 -.07647 .18100 Uiso ? ? .33300 ? ?
H901b .90581 1.08225 -.05037 .18100 Uiso ? ? .33300 ? ?
H901c .87350 1.03708 -.00417 .18100 Uiso ? ? .33300 ? ?
H902a 1.00900 1.04525 .00576 .11300 Uiso ? ? .33300 ? ?
H902b 1.03230 .96386 .02271 .11300 Uiso ? ? .33300 ? ?
H902c .97774 .99929 .05262 .11300 Uiso ? ? .33300 ? ?
H001a .82271 .85389 .10344 .28200 Uiso ? ? .50000 ? ?
H001b .86213 .78446 .12918 .28200 Uiso ? ? .50000 ? ?
H001c .84295 .79734 .05684 .28200 Uiso ? ? .50000 ? ?
H002a .87135 .93802 .03720 .55200 Uiso ? ? .50000 ? ?
H002b .91017 .88198 .00545 .55200 Uiso ? ? .50000 ? ?
H002c .94388 .94869 .04338 .55200 Uiso ? ? .50000 ? ?
H001'a .89457 .81170 .08429 .28200 Uiso ? ? .50000 ? ?
H001'b .82268 .82515 .06021 .28200 Uiso ? ? .50000 ? ?
H001'c .84581 .78106 .12221 .28200 Uiso ? ? .50000 ? ?
H002'a .94280 .87618 .19867 .24400 Uiso ? ? .50000 ? ?
H002'b .88415 .85814 .22800 .24400 Uiso ? ? .50000 ? ?
H002'c .91087 .93837 .23124 .24400 Uiso ? ? .50000 ? ?
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 ? 0 298.66 .002 .002 'Int Tables Vol IV Tables 2.2B and 2.3.1'
H ? 0 392 0 0 'Int Tables Vol IV Tables 2.2B and 2.3.1'
Eu ? 0 8 -.542 3.669 'Int Tables Vol IV Tables 2.2B and 2.3.1'
O ? 0 69.33 .008 .006 'Int Tables Vol IV Tables 2.2B and 2.3.1'
S ? 0 37.33 .11 .124 '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
O21 Eu1 O31 . . . 90.17(10) ?
O21 Eu1 O71 . . . 144.32(10) ?
O21 Eu1 O81 . . . 131.89(10) ?
O21 Eu1 O1 . . . 79.11(10) ?
O21 Eu1 O2 . . . 94.01(11) ?
O21 Eu1 O3 . . . 84.52(12) ?
O31 Eu1 O71 . . . 70.82(10) ?
O31 Eu1 O81 . . . 125.62(9) ?
O31 Eu1 O1 . . . 68.14(9) ?
O31 Eu1 O2 . . . 141.10(10) ?
O31 Eu1 O3 . . . 76.97(10) ?
O71 Eu1 O81 . . . 82.61(10) ?
O71 Eu1 O1 . . . 65.95(9) ?
O71 Eu1 O2 . . . 84.00(10) ?
O71 Eu1 O3 . . . 118.21(11) ?
O81 Eu1 O1 . . . 139.74(10) ?
O81 Eu1 O2 . . . 77.66(10) ?
O81 Eu1 O3 . . . 75.43(11) ?
O1 Eu1 O2 . . . 74.73(9) ?
O1 Eu1 O3 . . . 141.12(10) ?
O2 Eu1 O3 . . . 141.93(11) ?
O31 Eu2 O41 . . . 85.89(10) ?
O31 Eu2 O61 . . . 146.52(10) ?
O31 Eu2 O71 . . . 70.96(10) ?
O31 Eu2 O1 . . . 67.37(9) ?
O31 Eu2 O4 . . . 82.33(10) ?
O31 Eu2 O5 . . . 116.46(10) ?
O41 Eu2 O61 . . . 126.06(11) ?
O41 Eu2 O71 . . . 130.57(9) ?
O41 Eu2 O1 . . . 143.41(10) ?
O41 Eu2 O4 . . . 80.08(10) ?
O41 Eu2 O5 . . . 75.74(10) ?
O61 Eu2 O71 . . . 90.85(10) ?
O61 Eu2 O1 . . . 79.55(10) ?
O61 Eu2 O4 . . . 92.79(11) ?
O61 Eu2 O5 . . . 84.61(11) ?
O71 Eu2 O1 . . . 64.87(8) ?
O71 Eu2 O4 . . . 135.48(9) ?
O71 Eu2 O5 . . . 76.78(10) ?
O1 Eu2 O4 . . . 72.25(9) ?
O1 Eu2 O5 . . . 137.95(10) ?
O4 Eu2 O5 . . . 147.73(10) ?
C11 O11 H11 . . . 112(3) ?
O11 C11 C12 . . . 119.6(5) ?
O11 C11 C16 . . . 119.1(4) ?
C12 C11 C16 . . . 121.2(5) ?
C11 C12 C13 . . . 118.0(5) ?
C11 C12 C1 . . . 120.9(5) ?
C13 C12 C1 . . . 121.0(4) ?
C12 C13 C14 . . . 121.6(5) ?
C12 C13 H13 . . . 116(4) ?
C14 C13 H13 . . . 122(4) ?
C13 C14 C15 . . . 119.8(5) ?
C13 C14 H14 . . . 121(3) ?
C15 C14 H14 . . . 119(3) ?
C14 C15 C16 . . . 120.6(5) ?
C14 C15 H15 . . . 118(2) ?
C16 C15 H15 . . . 122(2) ?
C11 C16 C15 . . . 118.7(4) ?
C11 C16 C2 . . . 121.4(4) ?
C15 C16 C2 . . . 119.9(5) ?
C12 C1 C86 . . . 117.7(4) ?
C12 C1 H1a . . . 107(3) ?
C12 C1 H1b . . . 114(3) ?
C86 C1 H1a . . . 107(3) ?
C86 C1 H1b . . . 106(3) ?
H1a C1 H1b . . . 105(4) ?
Eu1 O21 C21 . . . 137.6(2) ?
O21 C21 C22 . . . 120.7(4) ?
O21 C21 C26 . . . 121.0(4) ?
C22 C21 C26 . . . 118.4(4) ?
C21 C22 C23 . . . 119.7(4) ?
C21 C22 C2 . . . 120.2(4) ?
C23 C22 C2 . . . 120.1(4) ?
C22 C23 C24 . . . 121.7(5) ?
C22 C23 H23 . . . 117(3) ?
C24 C23 H23 . . . 121(3) ?
C23 C24 C25 . . . 119.0(5) ?
C23 C24 H24 . . . 120(3) ?
C25 C24 H24 . . . 121(3) ?
C24 C25 C26 . . . 121.8(5) ?
C24 C25 H25 . . . 119(3) ?
C26 C25 H25 . . . 119(3) ?
C21 C26 C25 . . . 119.5(4) ?
C21 C26 C3 . . . 120.2(4) ?
C25 C26 C3 . . . 120.3(4) ?
C16 C2 C22 . . . 113.5(4) ?
C16 C2 H2a . . . 109(3) ?
C16 C2 H2b . . . 104(2) ?
C22 C2 H2a . . . 113(3) ?
C22 C2 H2b . . . 115(3) ?
H2a C2 H2b . . . 101(4) ?
Eu1 O31 Eu2 . . . 102.30(11) ?
Eu1 O31 C31 . . . 132.6(2) ?
Eu2 O31 C31 . . . 125.0(2) ?
O31 C31 C32 . . . 121.7(3) ?
O31 C31 C36 . . . 119.4(4) ?
C32 C31 C36 . . . 118.9(4) ?
C31 C32 C33 . . . 119.9(4) ?
C31 C32 C3 . . . 120.5(4) ?
C33 C32 C3 . . . 119.6(4) ?
C32 C33 C34 . . . 121.5(4) ?
C32 C33 H33 . . . 119(3) ?
C34 C33 H33 . . . 120(3) ?
C33 C34 C35 . . . 118.9(4) ?
C33 C34 H34 . . . 121(3) ?
C35 C34 H34 . . . 120(3) ?
C34 C35 C36 . . . 121.3(4) ?
C34 C35 H35 . . . 121(3) ?
C36 C35 H35 . . . 118(3) ?
C31 C36 C35 . . . 119.5(4) ?
C31 C36 C4 . . . 120.7(4) ?
C35 C36 C4 . . . 119.8(4) ?
C26 C3 C32 . . . 113.3(3) ?
C26 C3 H3a . . . 104(2) ?
C26 C3 H3b . . . 111(3) ?
C32 C3 H3a . . . 113(2) ?
C32 C3 H3b . . . 107(2) ?
H3a C3 H3b . . . 109(3) ?
Eu2 O41 C41 . . . 133.6(3) ?
Eu2 O41 H51 . . . 76(3) ?
C41 O41 H51 . . . 121(3) ?
O41 C41 C42 . . . 120.4(4) ?
O41 C41 C46 . . . 121.1(4) ?
C42 C41 C46 . . . 118.5(4) ?
C41 C42 C43 . . . 120.4(4) ?
C41 C42 C4 . . . 119.5(3) ?
C43 C42 C4 . . . 120.1(4) ?
C42 C43 C44 . . . 121.0(4) ?
C42 C43 H43 . . . 114(3) ?
C44 C43 H43 . . . 125(3) ?
C43 C44 C45 . . . 118.8(4) ?
C43 C44 H44 . . . 120(3) ?
C45 C44 H44 . . . 121(3) ?
C44 C45 C46 . . . 122.2(4) ?
C44 C45 H45 . . . 125(3) ?
C46 C45 H45 . . . 113(3) ?
C41 C46 C45 . . . 119.0(4) ?
C41 C46 C5 . . . 121.0(4) ?
C45 C46 C5 . . . 120.0(4) ?
C36 C4 C42 . . . 115.0(3) ?
C36 C4 H4a . . . 113(3) ?
C36 C4 H4b . . . 112(3) ?
C42 C4 H4a . . . 105(3) ?
C42 C4 H4b . . . 107(3) ?
H4a C4 H4b . . . 104(4) ?
C51 O51 H51 . . . 112(4) ?
O51 C51 C52 . . . 120.0(4) ?
O51 C51 C56 . . . 118.5(4) ?
C52 C51 C56 . . . 121.5(4) ?
C51 C52 C53 . . . 118.1(5) ?
C51 C52 C5 . . . 121.4(4) ?
C53 C52 C5 . . . 120.4(4) ?
C52 C53 C54 . . . 121.2(5) ?
C52 C53 H53 . . . 111(3) ?
C54 C53 H53 . . . 125(3) ?
C53 C54 C55 . . . 120.0(6) ?
C53 C54 H54 . . . 118(4) ?
C55 C54 H54 . . . 122(4) ?
C54 C55 C56 . . . 121.2(5) ?
C54 C55 H55 . . . 120(3) ?
C56 C55 H55 . . . 118(3) ?
C51 C56 C55 . . . 117.8(4) ?
C51 C56 C6 . . . 122.1(4) ?
C55 C56 C6 . . . 120.0(5) ?
C46 C5 C52 . . . 115.6(4) ?
C46 C5 H5a . . . 107(3) ?
C46 C5 H5b . . . 109(3) ?
C52 C5 H5a . . . 103(3) ?
C52 C5 H5b . . . 111(3) ?
H5a C5 H5b . . . 111(4) ?
Eu2 O61 C61 . . . 145.6(2) ?
O61 C61 C62 . . . 120.3(4) ?
O61 C61 C66 . . . 120.7(4) ?
C62 C61 C66 . . . 119.0(4) ?
C61 C62 C63 . . . 119.9(4) ?
C61 C62 C6 . . . 119.5(4) ?
C63 C62 C6 . . . 120.6(4) ?
C62 C63 C64 . . . 121.2(5) ?
C62 C63 H63 . . . 112(3) ?
C64 C63 H63 . . . 127(3) ?
C63 C64 C65 . . . 119.1(5) ?
C63 C64 H64 . . . 117(3) ?
C65 C64 H64 . . . 123(3) ?
C64 C65 C66 . . . 122.0(5) ?
C64 C65 H65 . . . 119(3) ?
C66 C65 H65 . . . 118(3) ?
C61 C66 C65 . . . 118.7(4) ?
C61 C66 C7 . . . 120.4(4) ?
C65 C66 C7 . . . 120.9(4) ?
C56 C6 C62 . . . 114.4(4) ?
C56 C6 H6a . . . 107(3) ?
C56 C6 H6b . . . 107(3) ?
C62 C6 H6a . . . 113(4) ?
C62 C6 H6b . . . 109(3) ?
H6a C6 H6b . . . 105(4) ?
Eu1 O71 Eu2 . . . 102.80(11) ?
Eu1 O71 C71 . . . 126.4(2) ?
Eu2 O71 C71 . . . 130.8(2) ?
O71 C71 C72 . . . 121.1(3) ?
O71 C71 C76 . . . 118.8(4) ?
C72 C71 C76 . . . 120.1(4) ?
C71 C72 C73 . . . 119.0(4) ?
C71 C72 C7 . . . 122.7(4) ?
C73 C72 C7 . . . 118.2(4) ?
C72 C73 C74 . . . 121.1(5) ?
C72 C73 H73 . . . 117(3) ?
C74 C73 H73 . . . 122(3) ?
C73 C74 C75 . . . 119.1(5) ?
C73 C74 H74 . . . 117(3) ?
C75 C74 H74 . . . 124(3) ?
C74 C75 C76 . . . 122.1(5) ?
C74 C75 H75 . . . 121(3) ?
C76 C75 H75 . . . 117(3) ?
C71 C76 C75 . . . 118.6(5) ?
C71 C76 C8 . . . 120.8(4) ?
C75 C76 C8 . . . 120.5(4) ?
C66 C7 C72 . . . 114.4(3) ?
C66 C7 H7a . . . 115(2) ?
C66 C7 H7b . . . 109(3) ?
C72 C7 H7a . . . 107(2) ?
C72 C7 H7b . . . 111(3) ?
H7a C7 H7b . . . 100(4) ?
Eu1 O81 C81 . . . 133.3(3) ?
Eu1 O81 H11 . . . 76(4) ?
C81 O81 H11 . . . 113(4) ?
O81 C81 C82 . . . 120.3(4) ?
O81 C81 C86 . . . 120.6(4) ?
C82 C81 C86 . . . 119.1(4) ?
C81 C82 C83 . . . 119.8(4) ?
C81 C82 C8 . . . 119.4(4) ?
C83 C82 C8 . . . 120.7(4) ?
C82 C83 C84 . . . 121.7(5) ?
C82 C83 H83 . . . 118(3) ?
C84 C83 H83 . . . 120(3) ?
C83 C84 C85 . . . 118.1(5) ?
C83 C84 H84 . . . 124(3) ?
C85 C84 H84 . . . 118(3) ?
C84 C85 C86 . . . 122.6(6) ?
C84 C85 H85 . . . 122(4) ?
C86 C85 H85 . . . 115(4) ?
C1 C86 C81 . . . 121.9(4) ?
C1 C86 C85 . . . 119.5(5) ?
C81 C86 C85 . . . 118.6(5) ?
C76 C8 C82 . . . 116.1(4) ?
C76 C8 H8a . . . 107(3) ?
C76 C8 H8b . . . 116(3) ?
C82 C8 H8a . . . 109(3) ?
C82 C8 H8b . . . 107(3) ?
H8a C8 H8b . . . 100(4) ?
Eu1 O1 Eu2 . . . 91.83(8) ?
Eu1 O1 S1 . . . 135.20(16) ?
Eu2 O1 S1 . . . 126.12(15) ?
O1 S1 C101 . . . 104.9(2) ?
O1 S1 C102 . . . 105.36(18) ?
C101 S1 C102 . . . 98.8(2) ?
S1 C101 H101a . . . 110.6(4) ?
S1 C101 H101b . . . 109.6(4) ?
S1 C101 H101c . . . 110.9(4) ?
H101a C101 H101b . . . 107.8(5) ?
H101a C101 H101c . . . 109.7(5) ?
H101b C101 H101c . . . 108.2(5) ?
S1 C102 H102a . . . 110.0(4) ?
S1 C102 H102b . . . 109.9(4) ?
S1 C102 H102c . . . 109.7(4) ?
H102a C102 H102b . . . 109.3(5) ?
H102a C102 H102c . . . 109.0(5) ?
H102b C102 H102c . . . 108.8(5) ?
Eu1 O2 S2 . . . 131.19(17) ?
O2 S2 C201 . . . 104.0(2) ?
O2 S2 C202 . . . 105.0(2) ?
C201 S2 C202 . . . 97.4(3) ?
S2 C201 H201a . . . 110.9(7) ?
S2 C201 H201b . . . 110.9(6) ?
S2 C201 H201c . . . 110.3(6) ?
H201a C201 H201b . . . 108.9(7) ?
H201a C201 H201c . . . 107.9(7) ?
H201b C201 H201c . . . 107.8(8) ?
S2 C202 H202a . . . 110.1(5) ?
S2 C202 H202b . . . 110.7(5) ?
S2 C202 H202c . . . 111.3(5) ?
H202a C202 H202b . . . 107.4(6) ?
H202a C202 H202c . . . 108.1(6) ?
H202b C202 H202c . . . 109.2(6) ?
Eu1 O3 S3 . . . 163.8(2) ?
Eu1 O3 S3' . . . 155.9(3) ?
S3 O3 S3' . . . 40.2(2) ?
O3 S3 S3' . . . 69.7(3) ?
O3 S3 C301 . . . 105.0(3) ?
O3 S3 C302 . . . 105.2(3) ?
S3' S3 C301 . . . 61.9(5) ?
S3' S3 C302 . . . 63.6(4) ?
C301 S3 C302 . . . 100.3(3) ?
O3 S3' S3 . . . 70.2(3) ?
O3 S3' C301 . . . 115.3(5) ?
O3 S3' C302 . . . 113.8(5) ?
O3 S3' H301a . . . 129.2(4) ?
O3 S3' H302a . . . 130.0(5) ?
S3 S3' C301 . . . 81.7(5) ?
S3 S3' C302 . . . 80.3(4) ?
S3 S3' H301a . . . 117.4(5) ?
S3 S3' H302a . . . 114.5(4) ?
C301 S3' C302 . . . 117.1(5) ?
C301 S3' H301a . . . 35.9(3) ?
C301 S3' H302a . . . 114.6(4) ?
C302 S3' H301a . . . 117.0(4) ?
C302 S3' H302a . . . 34.7(3) ?
H301a S3' H302a . . . 94.5(3) ?
S3 C301 S3' . . . 36.4(3) ?
S3 C301 H301a . . . 110.7(6) ?
S3 C301 H301b . . . 110.9(6) ?
S3 C301 H301c . . . 111.7(6) ?
S3 C301 H301'a . . . 75.1(5) ?
S3 C301 H301'b . . . 129.5(5) ?
S3 C301 H301'c . . . 119.5(5) ?
S3' C301 H301a . . . 74.5(5) ?
S3' C301 H301b . . . 119.8(6) ?
S3' C301 H301c . . . 128.7(6) ?
S3' C301 H301'a . . . 111.2(7) ?
S3' C301 H301'b . . . 110.2(6) ?
S3' C301 H301'c . . . 109.8(6) ?
H301a C301 H301b . . . 106.9(7) ?
H301a C301 H301c . . . 107.9(7) ?
H301a C301 H301'a . . . 165.4(7) ?
H301a C301 H301'b . . . 56.0(4) ?
H301a C301 H301'c . . . 79.9(6) ?
H301b C301 H301c . . . 108.6(7) ?
H301b C301 H301'a . . . 82.3(6) ?
H301b C301 H301'b . . . 119.6(8) ?
H301b C301 H301'c . . . 27.18(17) ?
H301c C301 H301'a . . . 57.9(4) ?
H301c C301 H301'b . . . 51.9(3) ?
H301c C301 H301'c . . . 121.2(8) ?
H301'a C301 H301'b . . . 109.8(7) ?
H301'a C301 H301'c . . . 109.4(7) ?
H301'b C301 H301'c . . . 106.4(7) ?
S3 C302 S3' . . . 36.1(2) ?
S3 C302 H302a . . . 110.3(5) ?
S3 C302 H302b . . . 110.2(5) ?
S3 C302 H302c . . . 110.1(5) ?
S3 C302 H302'a . . . 74.0(4) ?
S3 C302 H302'b . . . 119.0(5) ?
S3 C302 H302'c . . . 128.7(6) ?
S3' C302 H302a . . . 74.7(4) ?
S3' C302 H302b . . . 129.6(6) ?
S3' C302 H302c . . . 117.6(5) ?
S3' C302 H302'a . . . 109.9(5) ?
S3' C302 H302'b . . . 109.7(5) ?
S3' C302 H302'c . . . 110.5(6) ?
H302a C302 H302b . . . 108.9(6) ?
H302a C302 H302c . . . 108.5(7) ?
H302a C302 H302'a . . . 162.9(8) ?
H302a C302 H302'b . . . 83.6(5) ?
H302a C302 H302'c . . . 54.6(4) ?
H302b C302 H302c . . . 108.8(6) ?
H302b C302 H302'a . . . 55.1(4) ?
H302b C302 H302'b . . . 120.7(6) ?
H302b C302 H302'c . . . 54.4(3) ?
H302c C302 H302'a . . . 84.4(5) ?
H302c C302 H302'b . . . 24.94(18) ?
H302c C302 H302'c . . . 121.3(6) ?
H302'a C302 H302'b . . . 109.2(7) ?
H302'a C302 H302'c . . . 109.4(6) ?
H302'b C302 H302'c . . . 108.2(6) ?
Eu2 O4 S4 . . . 138.17(18) ?
O4 S4 C401 . . . 106.0(3) ?
O4 S4 C402 . . . 103.0(3) ?
C401 S4 C402 . . . 98.9(4) ?
S4 C401 H401a . . . 111.5(7) ?
S4 C401 H401b . . . 109.7(5) ?
S4 C401 H401c . . . 110.7(5) ?
H401a C401 H401b . . . 108.1(6) ?
H401a C401 H401c . . . 109.5(6) ?
H401b C401 H401c . . . 107.1(9) ?
S4 C402 H402a . . . 113.2(6) ?
S4 C402 H402b . . . 113.0(6) ?
S4 C402 H402c . . . 111.1(6) ?
H402a C402 H402b . . . 106.9(8) ?
H402a C402 H402c . . . 107.7(8) ?
H402b C402 H402c . . . 104.4(7) ?
Eu2 O5 S5 . . . 151.7(2) ?
Eu2 O5 S5' . . . 165.1(2) ?
S5 O5 S5' . . . 42.6(2) ?
O5 S5 S5' . . . 68.9(2) ?
O5 S5 C501 . . . 104.2(2) ?
O5 S5 C502 . . . 109.2(4) ?
O5 S5 H502'a . . . 131.18(19) ?
S5' S5 C501 . . . 71.6(3) ?
S5' S5 C502 . . . 58.8(5) ?
S5' S5 H502'a . . . 90.0(2) ?
C501 S5 C502 . . . 101.0(4) ?
C501 S5 H502'a . . . 110.06(18) ?
C502 S5 H502'a . . . 31.5(4) ?
O5 S5' S5 . . . 68.4(2) ?
O5 S5' C501 . . . 104.6(3) ?
O5 S5' C502 . . . 122.0(5) ?
O5 S5' H502a . . . 144.4(4) ?
S5 S5' C501 . . . 72.9(3) ?
S5 S5' C502 . . . 80.3(5) ?
S5 S5' H502a . . . 120.6(3) ?
C501 S5' C502 . . . 111.2(5) ?
C501 S5' H502a . . . 111.0(3) ?
C502 S5' H502a . . . 41.7(5) ?
S5 C501 S5' . . . 35.53(19) ?
S5 C501 H501a . . . 110.0(5) ?
S5 C501 H501b . . . 110.3(5) ?
S5 C501 H501c . . . 110.4(5) ?
S5 C501 H501'a . . . 76.0(4) ?
S5 C501 H501'b . . . 131.7(5) ?
S5 C501 H501'c . . . 115.1(4) ?
S5' C501 H501a . . . 75.0(4) ?
S5' C501 H501b . . . 129.3(5) ?
S5' C501 H501c . . . 117.6(5) ?
S5' C501 H501'a . . . 110.4(5) ?
S5' C501 H501'b . . . 109.6(5) ?
S5' C501 H501'c . . . 109.7(5) ?
H501a C501 H501b . . . 108.4(6) ?
H501a C501 H501c . . . 108.5(5) ?
H501a C501 H501'a . . . 172.8(7) ?
H501a C501 H501'b . . . 63.7(4) ?
H501a C501 H501'c . . . 71.8(4) ?
H501b C501 H501c . . . 109.2(6) ?
H501b C501 H501'a . . . 72.2(4) ?
H501b C501 H501'b . . . 117.1(6) ?
H501b C501 H501'c . . . 37.8(2) ?
H501c C501 H501'a . . . 65.1(4) ?
H501c C501 H501'b . . . 45.2(2) ?
H501c C501 H501'c . . . 131.1(7) ?
H501'a C501 H501'b . . . 109.4(6) ?
H501'a C501 H501'c . . . 109.7(5) ?
H501'b C501 H501'c . . . 108.0(6) ?
S5 C502 S5' . . . 40.9(3) ?
S5 C502 H502a . . . 108.8(8) ?
S5 C502 H502b . . . 113.6(9) ?
S5 C502 H502c . . . 112.7(6) ?
S5 C502 H502'a . . . 72.7(6) ?
S5 C502 H502'b . . . 120.8(6) ?
S5 C502 H502'c . . . 129.2(9) ?
S5' C502 H502a . . . 69.1(7) ?
S5' C502 H502b . . . 134.5(10) ?
S5' C502 H502c . . . 113.9(7) ?
S5' C502 H502'a . . . 113.1(8) ?
S5' C502 H502'b . . . 107.9(8) ?
S5' C502 H502'c . . . 106.5(10) ?
H502a C502 H502b . . . 105.5(8) ?
H502a C502 H502c . . . 104.3(10) ?
H502a C502 H502'a . . . 157.7(11) ?
H502a C502 H502'b . . . 85.5(9) ?
H502a C502 H502'c . . . 49.9(6) ?
H502b C502 H502c . . . 111.1(11) ?
H502b C502 H502'a . . . 56.2(6) ?
H502b C502 H502'b . . . 116.9(10) ?
H502b C502 H502'c . . . 55.6(4) ?
H502c C502 H502'a . . . 95.0(12) ?
H502c C502 H502'b . . . 18.9(2) ?
H502c C502 H502'c . . . 117.1(9) ?
H502'a C502 H502'b . . . 113.3(13) ?
H502'a C502 H502'c . . . 111.1(8) ?
H502'b C502 H502'c . . . 104.3(9) ?
O6 S6 C601 . . . 108.0(3) ?
O6 S6 C602 . . . 106.1(3) ?
C601 S6 C602 . . . 97.0(4) ?
S6 C601 H601a . . . 110.4(6) ?
S6 C601 H601b . . . 110.4(6) ?
S6 C601 H601c . . . 110.0(5) ?
H601a C601 H601b . . . 109.0(7) ?
H601a C601 H601c . . . 108.4(7) ?
H601b C601 H601c . . . 108.6(7) ?
S6 C602 H602a . . . 111.4(8) ?
S6 C602 H602b . . . 110.4(6) ?
S6 C602 H602c . . . 111.8(7) ?
H602a C602 H602b . . . 106.9(8) ?
H602a C602 H602c . . . 108.9(8) ?
H602b C602 H602c . . . 107.3(10) ?
S7 O7 S7' . . . 51.5(4) ?
O7 S7 S7' . . . 65.5(5) ?
O7 S7 C701 . . . 104.6(5) ?
O7 S7 C702 . . . 108.0(4) ?
O7 S7 H701'a . . . 130.6(3) ?
S7' S7 C701 . . . 57.1(6) ?
S7' S7 C702 . . . 74.5(6) ?
S7' S7 H701'a . . . 88.4(4) ?
C701 S7 C702 . . . 99.6(5) ?
C701 S7 H701'a . . . 32.2(4) ?
C702 S7 H701'a . . . 103.6(3) ?
O7 S7' S7 . . . 63.0(5) ?
O7 S7' C701 . . . 115.2(7) ?
O7 S7' C702 . . . 100.3(7) ?
O7 S7' H701a . . . 139.5(7) ?
S7 S7' C701 . . . 75.6(6) ?
S7 S7' C702 . . . 63.4(5) ?
S7 S7' H701a . . . 113.5(6) ?
C701 S7' C702 . . . 102.8(6) ?
C701 S7' H701a . . . 38.4(5) ?
C702 S7' H701a . . . 114.0(6) ?
S7 C701 S7' . . . 47.4(5) ?
S7 C701 H701a . . . 111.5(7) ?
S7 C701 H701b . . . 110.8(7) ?
S7 C701 H701c . . . 111.7(9) ?
S7 C701 H701'a . . . 66.0(6) ?
S7 C701 H701'b . . . 137.9(8) ?
S7 C701 H701'c . . . 115.0(7) ?
S7' C701 H701a . . . 64.7(7) ?
S7' C701 H701b . . . 118.1(9) ?
S7' C701 H701c . . . 134.2(9) ?
S7' C701 H701'a . . . 111.8(9) ?
S7' C701 H701'b . . . 110.5(8) ?
S7' C701 H701'c . . . 110.0(9) ?
H701a C701 H701b . . . 107.0(10) ?
H701a C701 H701c . . . 108.3(9) ?
H701a C701 H701'a . . . 157.1(10) ?
H701a C701 H701'b . . . 56.0(6) ?
H701a C701 H701'c . . . 93.0(9) ?
H701b C701 H701c . . . 107.3(9) ?
H701b C701 H701'a . . . 94.7(8) ?
H701b C701 H701'b . . . 111.3(9) ?
H701b C701 H701'c . . . 14.21(13) ?
H701c C701 H701'a . . . 56.4(6) ?
H701c C701 H701'b . . . 53.3(5) ?
H701c C701 H701'c . . . 115.6(9) ?
H701'a C701 H701'b . . . 109.4(9) ?
H701'a C701 H701'c . . . 108.9(9) ?
H701'b C701 H701'c . . . 106.1(10) ?
S7 C702 S7' . . . 42.2(4) ?
S7 C702 H702a . . . 112.4(8) ?
S7 C702 H702b . . . 111.1(7) ?
S7 C702 H702c . . . 111.7(8) ?
S7 C702 H702'a . . . 71.1(6) ?
S7 C702 H702'b . . . 118.7(8) ?
S7 C702 H702'c . . . 133.3(8) ?
S7' C702 H702a . . . 70.9(7) ?
S7' C702 H702b . . . 117.3(9) ?
S7' C702 H702c . . . 134.6(8) ?
S7' C702 H702'a . . . 112.3(8) ?
S7' C702 H702'b . . . 111.4(7) ?
S7' C702 H702'c . . . 110.5(9) ?
H702a C702 H702b . . . 106.7(10) ?
H702a C702 H702c . . . 108.2(8) ?
H702a C702 H702'a . . . 176.2(12) ?
H702a C702 H702'b . . . 70.5(6) ?
H702a C702 H702'c . . . 69.7(7) ?
H702b C702 H702c . . . 106.5(10) ?
H702b C702 H702'a . . . 70.2(6) ?
H702b C702 H702'b . . . 127.0(11) ?
H702b C702 H702'c . . . 37.8(4) ?
H702c C702 H702'a . . . 71.1(8) ?
H702c C702 H702'b . . . 38.9(4) ?
H702c C702 H702'c . . . 111.2(10) ?
H702'a C702 H702'b . . . 109.4(11) ?
H702'a C702 H702'c . . . 107.0(8) ?
H702'b C702 H702'c . . . 106.1(9) ?
O8 S8 C801 . . . 113.9(6) ?
O8 S8 C802 . . . 103.5(5) ?
O8 S8 C802" . . . 115(2) ?
C801 S8 C802 . . . 91.4(7) ?
C801 S8 C802" . . . 100(2) ?
C802 S8 C802" . . . 130(2) ?
S8 C801 H801a . . . 113.9(11) ?
S8 C801 H801b . . . 112.9(11) ?
S8 C801 H801c . . . 110.3(9) ?
H801a C801 H801b . . . 109.3(12) ?
H801a C801 H801c . . . 105.5(13) ?
H801b C801 H801c . . . 104.3(14) ?
S8 C802 C901 . . . 158.2(9) ?
S8 C802 H802a . . . 110.4(10) ?
S8 C802 H802b . . . 110.2(9) ?
S8 C802 H802c . . . 110.6(11) ?
C901 C802 H802a . . . 84.9(11) ?
C901 C802 H802b . . . 48.6(9) ?
C901 C802 H802c . . . 77.2(11) ?
H802a C802 H802b . . . 108.4(13) ?
H802a C802 H802c . . . 108.6(11) ?
H802b C802 H802c . . . 108.6(12) ?
S8 C802" H802"a . . . 107(4) ?
S8 C802" H802"b . . . 119(4) ?
S8 C802" H802"c . . . 106(4) ?
H802"a C802" H802"b . . . 114(5) ?
H802"a C802" H802"c . . . 99(4) ?
H802"b C802" H802"c . . . 110(6) ?
O9 S9 C901 . . . 102.7(14) ?
O9 S9 C902 . . . 110.0(14) ?
O9 S9 C902 . . '3 775' 83.2(14) ?
O9 S9 H902a . . '3 775' 105.1(11) ?
O9 S9 H902b . . '3 775' 88.3(12) ?
C901 S9 C902 . . . 95.5(11) ?
C901 S9 C902 . . '3 775' 94.0(12) ?
C901 S9 H902a . . '3 775' 118.9(9) ?
C901 S9 H902b . . '3 775' 63.5(8) ?
C902 S9 C902 . . '3 775' 27.9(11) ?
C902 S9 H902a . . '3 775' 23.7(8) ?
C902 S9 H902b . . '3 775' 43.3(8) ?
C902 S9 H902a '3 775' . '3 775' 38.9(8) ?
C902 S9 H902b '3 775' . '3 775' 30.5(9) ?
H902a S9 H902b '3 775' . '3 775' 64.2(3) ?
C802 C901 S9 . . . 128.9(14) ?
C802 C901 H901a . . . 64.5(14) ?
C802 C901 H901b . . . 124(2) ?
C802 C901 H901c . . . 47.9(12) ?
S9 C901 H901a . . . 106.8(19) ?
S9 C901 H901b . . . 107(2) ?
S9 C901 H901c . . . 109.8(19) ?
H901a C901 H901b . . . 109(2) ?
H901a C901 H901c . . . 112(3) ?
H901b C901 H901c . . . 111(2) ?
S9 C902 H902a . . . 103.0(15) ?
S9 C902 H902b . . . 115(2) ?
S9 C902 H902c . . . 109(2) ?
S9 C902 S9 . . '3 775' 152.1(16) ?
S9 C902 C902 . . '3 775' 67(2) ?
S9 C902 H902a . . '3 775' 44.0(12) ?
S9 C902 H902b . . '3 775' 56.5(9) ?
H902a C902 H902b . . . 107(3) ?
H902a C902 H902c . . . 100(2) ?
H902a C902 S9 . . '3 775' 54.0(11) ?
H902a C902 C902 . . '3 775' 47(2) ?
H902a C902 H902a . . '3 775' 127(3) ?
H902a C902 H902b . . '3 775' 48.7(10) ?
H902b C902 H902c . . . 120(2) ?
H902b C902 S9 . . '3 775' 65.4(15) ?
H902b C902 C902 . . '3 775' 95(3) ?
H902b C902 H902a . . '3 775' 73(2) ?
H902b C902 H902b . . '3 775' 138(3) ?
H902c C902 S9 . . '3 775' 92.4(16) ?
H902c C902 C902 . . '3 775' 140(3) ?
H902c C902 H902a . . '3 775' 126(3) ?
H902c C902 H902b . . '3 775' 100(2) ?
S9 C902 C902 '3 775' . '3 775' 85(2) ?
S9 C902 H902a '3 775' . '3 775' 134(3) ?
S9 C902 H902b '3 775' . '3 775' 102.8(16) ?
C902 C902 H902a '3 775' . '3 775' 80(3) ?
C902 C902 H902b '3 775' . '3 775' 43(2) ?
H902a C902 H902b '3 775' . '3 775' 95.0(18) ?
S0 O0 O0' . . . 96.0(14) ?
S0 O0 S0' . . . 84.9(11) ?
S0 O0 C002' . . . 106.2(14) ?
S0 O0 H002'a . . . 93.2(12) ?
O0' O0 S0' . . . 68.2(13) ?
O0' O0 C002' . . . 120.2(19) ?
O0' O0 H002'a . . . 149.5(19) ?
S0' O0 C002' . . . 59.9(12) ?
S0' O0 H002'a . . . 83.9(12) ?
C002' O0 H002'a . . . 29.6(9) ?
O0 S0 C001 . . . 109.1(10) ?
O0 S0 C002 . . . 108.1(12) ?
O0 S0 O0' . . . 38.5(8) ?
O0 S0 S0' . . . 48.2(9) ?
O0 S0 H001'a . . . 141.7(9) ?
C001 S0 C002 . . . 103.1(10) ?
C001 S0 O0' . . . 97.9(7) ?
C001 S0 S0' . . . 61.7(6) ?
C001 S0 H001'a . . . 36.5(5) ?
C002 S0 O0' . . . 75.4(10) ?
C002 S0 S0' . . . 109.6(10) ?
C002 S0 H001'a . . . 98.7(9) ?
O0' S0 S0' . . . 45.6(6) ?
O0' S0 H001'a . . . 132.5(5) ?
S0' S0 H001'a . . . 97.5(4) ?
S0 C001 S0' . . . 67.7(7) ?
S0 C001 H001a . . . 112.8(13) ?
S0 C001 H001b . . . 108.5(11) ?
S0 C001 H001c . . . 106.8(12) ?
S0 C001 H001'a . . . 45.1(6) ?
S0 C001 H001'b . . . 117.3(12) ?
S0 C001 H001'c . . . 129.8(12) ?
S0' C001 H001a . . . 53.4(8) ?
S0' C001 H001b . . . 103.5(10) ?
S0' C001 H001c . . . 152.0(12) ?
S0' C001 H001'a . . . 111.8(11) ?
S0' C001 H001'b . . . 115.7(12) ?
S0' C001 H001'c . . . 111.3(11) ?
H001a C001 H001b . . . 113.6(16) ?
H001a C001 H001c . . . 110.5(13) ?
H001a C001 H001'a . . . 153.9(18) ?
H001a C001 H001'b . . . 70.6(10) ?
H001a C001 H001'c . . . 101.4(15) ?
H001b C001 H001c . . . 104.2(14) ?
H001b C001 H001'a . . . 89.7(12) ?
H001b C001 H001'b . . . 127.8(16) ?
H001b C001 H001'c . . . 21.5(3) ?
H001c C001 H001'a . . . 72.3(10) ?
H001c C001 H001'b . . . 40.5(5) ?
H001c C001 H001'c . . . 93.5(12) ?
H001'a C001 H001'b . . . 104.9(13) ?
H001'a C001 H001'c . . . 104.3(14) ?
H001'b C001 H001'c . . . 108.0(14) ?
S0 C002 H002a . . . 95(2) ?
S0 C002 H002b . . . 115(2) ?
S0 C002 H002c . . . 94.5(18) ?
H002a C002 H002b . . . 126(3) ?
H002a C002 H002c . . . 95(2) ?
H002b C002 H002c . . . 124(3) ?
O0 O0' S0 . . . 45.4(11) ?
O0 O0' S0' . . . 62.5(12) ?
S0 O0' S0' . . . 65.7(8) ?
O0 S0' S0 . . . 46.9(9) ?
O0 S0' C001 . . . 96.8(11) ?
O0 S0' O0' . . . 49.4(10) ?
O0 S0' C002' . . . 63.9(13) ?
O0 S0' H001a . . . 121.3(11) ?
S0 S0' C001 . . . 50.6(6) ?
S0 S0' O0' . . . 68.8(8) ?
S0 S0' C002' . . . 86.9(11) ?
S0 S0' H001a . . . 74.5(5) ?
C001 S0' O0' . . . 107.9(10) ?
C001 S0' C002' . . . 104.7(10) ?
C001 S0' H001a . . . 27.5(5) ?
O0' S0' C002' . . . 107.4(12) ?
O0' S0' H001a . . . 112.7(10) ?
C002' S0' H001a . . . 124.8(10) ?
O0 C002' S0' . . . 56.2(11) ?
O0 C002' H002'a . . . 65.1(18) ?
O0 C002' H002'b . . . 149(2) ?
O0 C002' H002'c . . . 96.1(17) ?
S0' C002' H002'a . . . 110(2) ?
S0' C002' H002'b . . . 97.3(17) ?
S0' C002' H002'c . . . 99.1(16) ?
H002'a C002' H002'b . . . 119(2) ?
H002'a C002' H002'c . . . 122(2) ?
H002'b C002' H002'c . . . 104(2) ?
O11 H11 O81 . . . 166(7) ?
O41 H51 O51 . . . 173(7) ?
S3' H301a C301 . . . 69.6(5) ?
S3' H301a H301'b . . . 110.22(18) ?
C301 H301a H301'b . . . 61.8(4) ?
C301 H301b H301'c . . . 77.5(5) ?
C301 H301c H301'a . . . 60.0(5) ?
C301 H301c H301'b . . . 65.1(5) ?
H301'a H301c H301'b . . . 125.163(5) ?
S3' H302a C302 . . . 70.6(4) ?
S3' H302a H302'c . . . 112.65(19) ?
C302 H302a H302'c . . . 62.8(3) ?
C302 H302b H302'a . . . 62.0(4) ?
C302 H302b H302'c . . . 63.1(4) ?
H302'a H302b H302'c . . . 124.943(5) ?
C302 H302c H302'b . . . 77.9(4) ?
C301 H301'a H301c . . . 62.1(4) ?
C301 H301'b H301a . . . 62.2(5) ?
C301 H301'b H301c . . . 62.9(5) ?
H301a H301'b H301c . . . 125.105(2) ?
C301 H301'c H301b . . . 75.3(5) ?
C302 H302'a H302b . . . 62.9(4) ?
C302 H302'b H302c . . . 77.2(4) ?
C302 H302'c H302a . . . 62.6(4) ?
C302 H302'c H302b . . . 62.5(4) ?
H302a H302'c H302b . . . 125.118(3) ?
C501 H501b H501'c . . . 71.5(4) ?
C501 H501c H501'b . . . 68.1(4) ?
S5' H502a C502 . . . 69.1(5) ?
S5' H502a H502'c . . . 116.36(17) ?
C502 H502a H502'c . . . 63.7(4) ?
C502 H502b H502'a . . . 59.1(7) ?
C502 H502b H502'c . . . 65.6(7) ?
H502'a H502b H502'c . . . 123.800(4) ?
C502 H502c H502'b . . . 84.5(8) ?
C501 H501'b H501c . . . 66.8(4) ?
C501 H501'c H501b . . . 70.6(4) ?
S5 H502'a C502 . . . 75.8(5) ?
S5 H502'a H502b . . . 121.40(6) ?
C502 H502'a H502b . . . 64.7(4) ?
C502 H502'b H502c . . . 76.6(8) ?
C502 H502'c H502a . . . 66.3(7) ?
C502 H502'c H502b . . . 58.7(7) ?
H502a H502'c H502b . . . 124.936(4) ?
S7' H701a C701 . . . 76.9(7) ?
S7' H701a H701'b . . . 125.0(4) ?
C701 H701a H701'b . . . 62.5(5) ?
C701 H701b H701'c . . . 83.4(7) ?
C701 H701c H701'a . . . 60.6(6) ?
C701 H701c H701'b . . . 64.1(6) ?
H701'a H701c H701'b . . . 124.153(3) ?
C702 H702b H702'c . . . 71.7(6) ?
C702 H702c H702'b . . . 70.4(5) ?
S7 H701'a C701 . . . 81.8(6) ?
S7 H701'a H701c . . . 128.75(10) ?
C701 H701'a H701c . . . 63.0(5) ?
C701 H701'b H701a . . . 61.6(6) ?
C701 H701'b H701c . . . 62.6(6) ?
H701a H701'b H701c . . . 122.833(5) ?
C701 H701'c H701b . . . 82.4(6) ?
C702 H702'b H702c . . . 70.7(6) ?
C702 H702'c H702b . . . 70.5(5) ?
C902 H902a S9 . . '3 775' 87.0(13) ?
C902 H902a C902 . . '3 775' 53(2) ?
C902 H902a H902b . . '3 775' 76.7(12) ?
S9 H902a C902 '3 775' . '3 775' 112.4(18) ?
S9 H902a H902b '3 775' . '3 775' 163.8(4) ?
C902 H902a H902b '3 775' . '3 775' 57.0(18) ?
C902 H902b S9 . . '3 775' 84.1(16) ?
C902 H902b C902 . . '3 775' 42(2) ?
C902 H902b H902a . . '3 775' 50.4(15) ?
S9 H902b C902 '3 775' . '3 775' 80.1(11) ?
S9 H902b H902a '3 775' . '3 775' 130.8(3) ?
C902 H902b H902a '3 775' . '3 775' 54.5(11) ?
C001 H001a S0' . . . 99.2(10) ?
C001 H001b H001'c . . . 78.8(9) ?
C001 H001c H001'b . . . 66.2(8) ?
S0 H001'a C001 . . . 98.4(9) ?
C001 H001'b H001c . . . 73.3(9) ?
C001 H001'c H001b . . . 79.8(8) ?
O0 H002'a C002' . . . 85.3(18) ?
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
Eu1 O21 . . 2.218(3) ?
Eu1 O31 . . 2.383(3) ?
Eu1 O71 . . 2.363(3) ?
Eu1 O81 . . 2.446(3) ?
Eu1 O1 . . 2.545(3) ?
Eu1 O2 . . 2.416(3) ?
Eu1 O3 . . 2.331(3) ?
Eu2 O31 . . 2.367(3) ?
Eu2 O41 . . 2.399(3) ?
Eu2 O61 . . 2.194(3) ?
Eu2 O71 . . 2.371(3) ?
Eu2 O1 . . 2.604(3) ?
Eu2 O4 . . 2.391(3) ?
Eu2 O5 . . 2.342(3) ?
O11 C11 . . 1.362(6) ?
O11 H11 . . 1.30(7) ?
C11 C12 . . 1.417(7) ?
C11 C16 . . 1.391(7) ?
C12 C13 . . 1.390(8) ?
C12 C1 . . 1.514(8) ?
C13 C14 . . 1.380(9) ?
C13 H13 . . .99(5) ?
C14 C15 . . 1.390(7) ?
C14 H14 . . .92(5) ?
C15 C16 . . 1.404(8) ?
C15 H15 . . 1.03(5) ?
C16 C2 . . 1.527(6) ?
C1 C86 . . 1.515(7) ?
C1 H1a . . .96(4) ?
C1 H1b . . .87(4) ?
O21 C21 . . 1.319(5) ?
C21 C22 . . 1.422(6) ?
C21 C26 . . 1.417(6) ?
C22 C23 . . 1.390(7) ?
C22 C2 . . 1.510(7) ?
C23 C24 . . 1.379(8) ?
C23 H23 . . .97(5) ?
C24 C25 . . 1.383(7) ?
C24 H24 . . .89(5) ?
C25 C26 . . 1.393(7) ?
C25 H25 . . .86(5) ?
C26 C3 . . 1.523(6) ?
C2 H2a . . 1.09(5) ?
C2 H2b . . 1.04(4) ?
O31 C31 . . 1.351(5) ?
C31 C32 . . 1.403(6) ?
C31 C36 . . 1.421(5) ?
C32 C33 . . 1.385(7) ?
C32 C3 . . 1.531(5) ?
C33 C34 . . 1.386(6) ?
C33 H33 . . .91(5) ?
C34 C35 . . 1.389(7) ?
C34 H34 . . .93(5) ?
C35 C36 . . 1.388(6) ?
C35 H35 . . .90(4) ?
C36 C4 . . 1.512(6) ?
C3 H3a . . .93(4) ?
C3 H3b . . .98(4) ?
O41 C41 . . 1.334(5) ?
O41 H51 . . 1.34(8) ?
C41 C42 . . 1.406(6) ?
C41 C46 . . 1.423(6) ?
C42 C43 . . 1.398(6) ?
C42 C4 . . 1.507(6) ?
C43 C44 . . 1.387(7) ?
C43 H43 . . .91(5) ?
C44 C45 . . 1.379(7) ?
C44 H44 . . .92(4) ?
C45 C46 . . 1.397(6) ?
C45 H45 . . .97(5) ?
C46 C5 . . 1.504(6) ?
C4 H4a . . .94(4) ?
C4 H4b . . .92(5) ?
O51 C51 . . 1.368(6) ?
O51 H51 . . 1.17(8) ?
C51 C52 . . 1.396(6) ?
C51 C56 . . 1.419(7) ?
C52 C53 . . 1.399(8) ?
C52 C5 . . 1.516(8) ?
C53 C54 . . 1.377(9) ?
C53 H53 . . .91(5) ?
C54 C55 . . 1.389(8) ?
C54 H54 . . 1.06(7) ?
C55 C56 . . 1.389(8) ?
C55 H55 . . 1.06(5) ?
C56 C6 . . 1.512(6) ?
C5 H5a . . .90(4) ?
C5 H5b . . 1.02(5) ?
O61 C61 . . 1.318(6) ?
C61 C62 . . 1.414(7) ?
C61 C66 . . 1.424(6) ?
C62 C63 . . 1.389(8) ?
C62 C6 . . 1.512(6) ?
C63 C64 . . 1.390(8) ?
C63 H63 . . .93(5) ?
C64 C65 . . 1.378(8) ?
C64 H64 . . .99(5) ?
C65 C66 . . 1.399(7) ?
C65 H65 . . 1.02(5) ?
C66 C7 . . 1.512(6) ?
C6 H6a . . .94(6) ?
C6 H6b . . .98(5) ?
O71 C71 . . 1.352(5) ?
C71 C72 . . 1.395(7) ?
C71 C76 . . 1.423(6) ?
C72 C73 . . 1.411(7) ?
C72 C7 . . 1.514(6) ?
C73 C74 . . 1.393(7) ?
C73 H73 . . 1.00(5) ?
C74 C75 . . 1.377(9) ?
C74 H74 . . .94(6) ?
C75 C76 . . 1.393(7) ?
C75 H75 . . .97(4) ?
C76 C8 . . 1.496(7) ?
C7 H7a . . .91(4) ?
C7 H7b . . .94(5) ?
O81 C81 . . 1.351(5) ?
O81 H11 . . 1.17(8) ?
C81 C82 . . 1.404(6) ?
C81 C86 . . 1.406(7) ?
C82 C83 . . 1.392(7) ?
C82 C8 . . 1.516(7) ?
C83 C84 . . 1.380(9) ?
C83 H83 . . .81(5) ?
C84 C85 . . 1.375(8) ?
C84 H84 . . .94(5) ?
C85 C86 . . 1.400(8) ?
C85 H85 . . .82(6) ?
C8 H8a . . .94(5) ?
C8 H8b . . .98(5) ?
O1 S1 . . 1.522(3) ?
S1 C101 . . 1.771(5) ?
S1 C102 . . 1.779(5) ?
C101 H101a . . .951(6) ?
C101 H101b . . .969(6) ?
C101 H101c . . .947(5) ?
C102 H102a . . .950(5) ?
C102 H102b . . .952(4) ?
C102 H102c . . .956(5) ?
O2 S2 . . 1.525(3) ?
S2 C201 . . 1.775(9) ?
S2 C202 . . 1.766(6) ?
C201 H201a . . .953(7) ?
C201 H201b . . .954(7) ?
C201 H201c . . .966(6) ?
C202 H202a . . .970(7) ?
C202 H202b . . .956(6) ?
C202 H202c . . .947(6) ?
O3 S3 . . 1.521(4) ?
O3 S3' . . 1.516(6) ?
S3 S3' . . 1.043(5) ?
S3 C301 . . 1.740(8) ?
S3 C302 . . 1.743(6) ?
S3' C301 . . 1.551(10) ?
S3' C302 . . 1.584(8) ?
S3' H301a . . 1.595(6) ?
S3' H302a . . 1.619(6) ?
C301 H301a . . .970(8) ?
C301 H301b . . .961(6) ?
C301 H301c . . .949(7) ?
C301 H301'a . . .930(8) ?
C301 H301'b . . .967(7) ?
C301 H301'c . . .970(6) ?
C302 H302a . . .955(7) ?
C302 H302b . . .952(6) ?
C302 H302c . . .956(7) ?
C302 H302'a . . .944(7) ?
C302 H302'b . . .959(7) ?
C302 H302'c . . .956(6) ?
O4 S4 . . 1.513(3) ?
S4 C401 . . 1.765(8) ?
S4 C402 . . 1.782(8) ?
C401 H401a . . .944(7) ?
C401 H401b . . .973(8) ?
C401 H401c . . .955(7) ?
C402 H402a . . .964(9) ?
C402 H402b . . .968(8) ?
C402 H402c . . .950(8) ?
O5 S5 . . 1.497(4) ?
O5 S5' . . 1.503(5) ?
S5 S5' . . 1.091(4) ?
S5 C501 . . 1.794(7) ?
S5 C502 . . 1.642(9) ?
S5 H502'a . . 1.6174(16) ?
S5' C501 . . 1.781(8) ?
S5' C502 . . 1.425(10) ?
S5' H502a . . 1.425(4) ?
C501 H501a . . .961(7) ?
C501 H501b . . .952(5) ?
C501 H501c . . .951(5) ?
C501 H501'a . . .940(7) ?
C501 H501'b . . .960(6) ?
C501 H501'c . . .957(5) ?
C502 H502a . . 1.015(13) ?
C502 H502b . . .933(8) ?
C502 H502c . . .948(11) ?
C502 H502'a . . .886(13) ?
C502 H502'b . . .970(10) ?
C502 H502'c . . .994(9) ?
O6 S6 . . 1.517(5) ?
S6 C601 . . 1.766(7) ?
S6 C602 . . 1.790(10) ?
C601 H601a . . .954(7) ?
C601 H601b . . .951(7) ?
C601 H601c . . .960(8) ?
C602 H602a . . .956(8) ?
C602 H602b . . .975(10) ?
C602 H602c . . .951(8) ?
O7 S7 . . 1.500(6) ?
O7 S7' . . 1.532(12) ?
S7 S7' . . 1.317(11) ?
S7 C701 . . 1.733(10) ?
S7 C702 . . 1.753(11) ?
S7 H701'a . . 1.599(2) ?
S7' C701 . . 1.502(13) ?
S7' C702 . . 1.890(15) ?
S7' H701a . . 1.395(11) ?
C701 H701a . . .959(11) ?
C701 H701b . . .971(9) ?
C701 H701c . . .955(10) ?
C701 H701'a . . .934(11) ?
C701 H701'b . . .967(9) ?
C701 H701'c . . .973(9) ?
C702 H702a . . .956(9) ?
C702 H702b . . .978(9) ?
C702 H702c . . .959(11) ?
C702 H702'a . . .945(9) ?
C702 H702'b . . .956(9) ?
C702 H702'c . . .985(10) ?
O8 S8 . . 1.444(5) ?
S8 C801 . . 1.628(12) ?
S8 C802 . . 1.945(15) ?
S8 C802" . . 1.46(5) ?
C801 H801a . . .943(15) ?
C801 H801b . . .959(12) ?
C801 H801c . . 1.005(17) ?
C802 C901 . . 1.98(3) ?
C802 H802a . . .957(13) ?
C802 H802b . . .956(12) ?
C802 H802c . . .954(11) ?
C802" H802"a . . 1.00(5) ?
C802" H802"b . . .85(5) ?
C802" H802"c . . 1.04(5) ?
O9 S9 . . 1.34(3) ?
S9 C901 . . 1.78(3) ?
S9 C902 . . 1.84(2) ?
S9 C902 . '3 775' 1.70(3) ?
S9 H902a . '3 775' 1.382(7) ?
S9 H902b . '3 775' 1.559(8) ?
C901 H901a . . .95(2) ?
C901 H901b . . .95(2) ?
C901 H901c . . .92(3) ?
C902 H902a . . 1.07(3) ?
C902 H902b . . .87(3) ?
C902 H902c . . .95(3) ?
C902 C902 . '3 775' .87(3) ?
C902 H902a . '3 775' .80(2) ?
C902 H902b . '3 775' 1.28(2) ?
O0 S0 . . 1.46(2) ?
O0 O0' . . 1.28(2) ?
O0 S0' . . 1.49(2) ?
O0 C002' . . 1.61(3) ?
O0 H002'a . . 1.47(2) ?
S0 C001 . . 1.666(16) ?
S0 C002 . . 1.59(3) ?
S0 O0' . . 2.040(18) ?
S0 S0' . . 1.994(13) ?
S0 H001'a . . 1.193(4) ?
C001 S0' . . 1.898(18) ?
C001 H001a . . .887(15) ?
C001 H001b . . .966(14) ?
C001 H001c . . .999(13) ?
C001 H001'a . . 1.001(16) ?
C001 H001'b . . .955(12) ?
C001 H001'c . . .963(15) ?
C002 H002a . . 1.05(3) ?
C002 H002b . . .69(3) ?
C002 H002c . . 1.06(2) ?
O0' S0' . . 1.56(2) ?
S0' C002' . . 1.55(2) ?
S0' H001a . . 1.543(11) ?
C002' H002'a . . .80(2) ?
C002' H002'b . . .99(2) ?
C002' H002'c . . .97(2) ?
H301a H301'b . . .90948(7) ?
H301b H301'c . . .45398(5) ?
H301c H301'a . . .90883(7) ?
H301c H301'b . . .83853(9) ?
H302a H302'c . . .87632(7) ?
H302b H302'a . . .87715(6) ?
H302b H302'c . . .87212(10) ?
H302c H302'b . . .41363(5) ?
H501b H501'c . . .61886(5) ?
H501c H501'b . . .73455(8) ?
H502a H502'c . . .84835(6) ?
H502b H502'a . . .85735(6) ?
H502b H502'c . . .90096(9) ?
H502c H502'b . . .31570(3) ?
H701a H701'b . . .90405(7) ?
H701b H701'c . . .24055(2) ?
H701c H701'a . . .89295(6) ?
H701c H701'b . . .86265(6) ?
H702b H702'c . . .63539(5) ?
H702c H702'b . . .63795(5) ?
H902a H902b . '3 775' .99017(7) ?
H001b H001'c . . .35916(3) ?
H001c H001'b . . .67708(5) ?
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
Eu1 Eu2 3.6991(4) . . ?
Eu1 O11 2.774(3) . . ?
Eu1 C21 3.314(4) . . ?
Eu1 C31 3.445(4) . . ?
Eu1 C71 3.347(4) . . ?
Eu1 C81 3.513(4) . . ?
Eu1 S1 3.7804(11) . . ?
Eu1 S2 3.6075(12) . . ?
Eu1 S3 3.8160(16) . . ?
Eu1 S3' 3.766(5) . . ?
Eu1 H11 2.45(8) . . ?
Eu1 H8b 3.25(4) . . ?
Eu2 C31 3.331(4) . . ?
Eu2 C41 3.456(4) . . ?
Eu2 C4 3.652(4) . . ?
Eu2 O51 2.947(3) . . ?
Eu2 C61 3.364(5) . . ?
Eu2 C71 3.411(4) . . ?
Eu2 S1 3.7110(10) . . ?
Eu2 S4 3.6597(12) . . ?
Eu2 S5 3.7290(17) . . ?
Eu2 S5' 3.814(4) . . ?
Eu2 H4b 3.01(4) . . ?
Eu2 H51 2.45(8) . . ?
O11 C12 2.402(6) . . ?
O11 C16 2.373(6) . . ?
O11 C1 2.871(6) . . ?
O11 C2 2.851(6) . . ?
O11 O81 2.445(4) . . ?
O11 O2 2.914(5) . . ?
O11 S2 2.916(4) . . ?
O11 S3 3.803(4) . . ?
O11 H1b 2.67(4) . . ?
O11 H2a 2.44(5) . . ?
C11 C13 2.406(7) . . ?
C11 C14 2.779(8) . . ?
C11 C15 2.404(8) . . ?
C11 C1 2.551(7) . . ?
C11 C2 2.545(7) . . ?
C11 S3 3.383(5) . . ?
C11 H11 2.20(8) . . ?
C11 H2a 2.65(5) . . ?
C12 C14 2.418(9) . . ?
C12 C15 2.800(8) . . ?
C12 C16 2.446(7) . . ?
C12 C86 2.592(8) . . ?
C12 S3 3.498(5) . . ?
C12 H11 2.63(8) . . ?
C12 H13 2.03(6) . . ?
C12 H1a 2.02(5) . . ?
C12 H1b 2.03(5) . . ?
C13 C15 2.397(8) . . ?
C13 C16 2.791(7) . . ?
C13 C1 2.529(9) . . ?
C13 S3 3.855(5) . . ?
C13 H14 2.02(5) . . ?
C13 H1a 2.57(5) . . ?
C14 C16 2.427(7) . . ?
C14 H13 2.08(5) . . ?
C14 H15 2.08(4) . . ?
C15 C2 2.538(7) . . ?
C15 H14 2.01(4) . . ?
C15 H2b 2.66(4) . . ?
C16 C22 2.540(6) . . ?
C16 S3 3.714(5) . . ?
C16 S7 3.978(5) . . ?
C16 H15 2.13(5) . . ?
C16 H2a 2.15(5) . . ?
C16 H2b 2.05(4) . . ?
C1 O81 2.899(6) . . ?
C1 C81 2.555(7) . . ?
C1 C85 2.519(8) . . ?
C1 S0' 3.651(14) . . ?
C1 H11 2.46(7) . . ?
C1 H13 2.64(6) . . ?
C1 H85 2.57(5) . . ?
O21 C22 2.382(6) . . ?
O21 C26 2.381(5) . . ?
O21 C2 2.860(6) . . ?
O21 C3 2.868(5) . . ?
O21 S1 3.425(3) . . ?
O21 H2a 2.54(5) . . ?
O21 H3a 2.41(4) . . ?
O21 H102a 2.504(3) . . ?
C21 C23 2.431(7) . . ?
C21 C24 2.819(7) . . ?
C21 C25 2.427(7) . . ?
C21 C2 2.542(6) . . ?
C21 C3 2.548(6) . . ?
C21 S3' 3.989(7) . . ?
C21 H3a 2.51(4) . . ?
C22 C24 2.419(7) . . ?
C22 C25 2.779(7) . . ?
C22 C26 2.438(6) . . ?
C22 H23 2.02(5) . . ?
C22 H2a 2.17(5) . . ?
C22 H2b 2.16(4) . . ?
C23 C25 2.379(7) . . ?
C23 C26 2.784(7) . . ?
C23 C2 2.514(7) . . ?
C23 H24 1.98(5) . . ?
C24 C26 2.425(7) . . ?
C24 H23 2.05(4) . . ?
C24 H25 1.95(5) . . ?
C25 C3 2.530(7) . . ?
C25 S7 3.941(5) . '2 645' ?
C25 H24 2.00(5) . . ?
C25 H3b 2.69(4) . . ?
C26 C32 2.552(6) . . ?
C26 H25 1.97(5) . . ?
C26 H3a 1.96(4) . . ?
C26 H3b 2.09(4) . . ?
C2 S7 3.985(5) . . ?
C2 H23 2.63(5) . . ?
O31 C32 2.406(5) . . ?
O31 C36 2.393(5) . . ?
O31 C3 2.896(5) . . ?
O31 C4 2.859(5) . . ?
O31 O71 2.750(4) . . ?
O31 O1 2.764(4) . . ?
O31 S1 3.919(3) . . ?
O31 O3 2.934(4) . . ?
O31 S3' 3.607(6) . . ?
O31 H3a 2.53(4) . . ?
O31 H4b 2.46(4) . . ?
C31 C33 2.413(7) . . ?
C31 C34 2.808(6) . . ?
C31 C35 2.426(6) . . ?
C31 C3 2.548(5) . . ?
C31 C4 2.549(6) . . ?
C31 S3' 3.181(6) . . ?
C31 H3a 2.63(3) . . ?
C31 H4b 2.61(4) . . ?
C32 C34 2.418(6) . . ?
C32 C35 2.782(6) . . ?
C32 C36 2.431(6) . . ?
C32 S3' 3.514(6) . . ?
C32 H33 1.99(5) . . ?
C32 H3a 2.07(4) . . ?
C32 H3b 2.04(4) . . ?
C33 C35 2.390(6) . . ?
C33 C36 2.780(6) . . ?
C33 C3 2.522(6) . . ?
C33 S3' 3.863(7) . . ?
C33 H34 2.03(4) . . ?
C33 H3b 2.65(4) . . ?
C34 C36 2.420(7) . . ?
C34 S3' 3.922(7) . . ?
C34 H33 2.00(5) . . ?
C34 H35 2.00(4) . . ?
C35 C4 2.509(7) . . ?
C35 S3' 3.637(7) . . ?
C35 H34 2.02(5) . . ?
C36 C42 2.546(6) . . ?
C36 S3' 3.282(7) . . ?
C36 H35 1.98(4) . . ?
C36 H4a 2.07(4) . . ?
C36 H4b 2.04(5) . . ?
C3 H25 2.64(5) . . ?
C3 H33 2.64(5) . . ?
O41 C42 2.377(5) . . ?
O41 C46 2.401(5) . . ?
O41 C4 2.826(5) . . ?
O41 O51 2.506(5) . . ?
O41 C5 2.890(5) . . ?
O41 S4 3.562(3) . . ?
O41 O5 2.911(4) . . ?
O41 S5 3.789(4) . . ?
O41 H5a 2.57(4) . . ?
O41 H601a 2.655(3) . 4 ?
C41 C43 2.433(6) . . ?
C41 C44 2.823(6) . . ?
C41 C45 2.430(6) . . ?
C41 C4 2.516(6) . . ?
C41 C5 2.547(6) . . ?
C41 S5 3.630(5) . . ?
C41 S5' 3.891(6) . . ?
C41 H4b 2.70(5) . . ?
C41 H51 2.33(7) . . ?
C41 H5a 2.59(4) . . ?
C42 C44 2.424(6) . . ?
C42 C45 2.772(6) . . ?
C42 C46 2.431(6) . . ?
C42 S5' 3.953(7) . . ?
C42 H43 1.95(5) . . ?
C42 H4a 1.97(4) . . ?
C42 H4b 1.98(4) . . ?
C43 C45 2.381(7) . . ?
C43 C46 2.793(6) . . ?
C43 C4 2.517(6) . . ?
C43 H44 2.00(4) . . ?
C43 H4a 2.47(4) . . ?
C44 C46 2.430(6) . . ?
C44 S0 3.809(6) . '2 745' ?
C44 H43 2.04(5) . . ?
C44 H45 2.09(5) . . ?
C45 C5 2.513(6) . . ?
C45 H44 2.01(4) . . ?
C45 H5b 2.59(5) . . ?
C46 C52 2.555(7) . . ?
C46 S5 3.809(5) . . ?
C46 H45 1.99(5) . . ?
C46 H5a 1.96(4) . . ?
C46 H5b 2.07(5) . . ?
C4 S3' 3.925(7) . . ?
C4 H35 2.61(4) . . ?
C4 H43 2.57(5) . . ?
O51 C52 2.393(5) . . ?
O51 C56 2.395(6) . . ?
O51 C5 2.872(5) . . ?
O51 C6 2.878(6) . . ?
O51 O4 2.998(4) . . ?
O51 S4 2.963(3) . . ?
O51 S5 3.915(3) . . ?
O51 H5a 2.43(4) . . ?
O51 H6a 2.44(6) . . ?
C51 C53 2.397(7) . . ?
C51 C54 2.771(8) . . ?
C51 C55 2.405(8) . . ?
C51 C5 2.540(7) . . ?
C51 C6 2.566(6) . . ?
C51 S5 3.390(4) . . ?
C51 H51 2.10(8) . . ?
C51 H5a 2.50(4) . . ?
C51 H6a 2.58(5) . . ?
C52 C54 2.419(8) . . ?
C52 C55 2.798(8) . . ?
C52 C56 2.456(7) . . ?
C52 S5 3.498(5) . . ?
C52 H51 2.62(8) . . ?
C52 H53 1.93(5) . . ?
C52 H5a 1.93(4) . . ?
C52 H5b 2.11(5) . . ?
C53 C55 2.396(8) . . ?
C53 C56 2.797(7) . . ?
C53 C5 2.531(8) . . ?
C53 S5 3.693(6) . . ?
C53 S9 3.873(10) . '3 765' ?
C53 H54 2.09(7) . . ?
C53 H5b 2.69(5) . . ?
C54 C56 2.420(7) . . ?
C54 S5 3.818(7) . . ?
C54 S9 3.720(11) . '3 765' ?
C54 H53 2.04(5) . . ?
C54 H55 2.13(5) . . ?
C54 H901b 2.574(6) . '1 545' ?
C55 C6 2.513(7) . . ?
C55 S5 3.785(6) . . ?
C55 H54 2.14(6) . . ?
C55 H6b 2.67(4) . . ?
C56 C62 2.542(6) . . ?
C56 S5 3.590(5) . . ?
C56 H55 2.11(5) . . ?
C56 H6a 2.01(5) . . ?
C56 H6b 2.03(5) . . ?
C5 S6 3.804(6) . 4 ?
C5 H45 2.56(4) . . ?
C5 H51 2.56(8) . . ?
C5 H53 2.56(5) . . ?
O61 C62 2.369(6) . . ?
O61 C66 2.383(6) . . ?
O61 C6 2.829(6) . . ?
O61 C7 2.866(5) . . ?
O61 S1 3.731(3) . . ?
O61 S5 3.937(3) . . ?
O61 H6a 2.56(6) . . ?
O61 H7a 2.61(4) . . ?
O61 H101a 2.595(3) . . ?
C61 C63 2.426(7) . . ?
C61 C64 2.815(8) . . ?
C61 C65 2.428(7) . . ?
C61 C6 2.528(6) . . ?
C61 C7 2.547(6) . . ?
C61 S5 3.939(4) . . ?
C61 H6a 2.67(6) . . ?
C61 H7a 2.70(4) . . ?
C62 C64 2.421(8) . . ?
C62 C65 2.781(7) . . ?
C62 C66 2.445(6) . . ?
C62 H63 1.94(5) . . ?
C62 H6a 2.07(6) . . ?
C62 H6b 2.05(5) . . ?
C63 C65 2.386(7) . . ?
C63 C66 2.796(7) . . ?
C63 C6 2.521(8) . . ?
C63 H64 2.05(5) . . ?
C63 H6b 2.61(5) . . ?
C64 C66 2.429(8) . . ?
C64 H63 2.08(5) . . ?
C64 H65 2.08(5) . . ?
C65 C7 2.533(7) . . ?
C65 H64 2.09(5) . . ?
C65 H7b 2.66(5) . . ?
C66 C72 2.543(6) . . ?
C66 H65 2.09(5) . . ?
C66 H7a 2.07(4) . . ?
C66 H7b 2.02(5) . . ?
C6 H55 2.68(5) . . ?
C6 H63 2.54(5) . . ?
O71 C72 2.393(6) . . ?
O71 C76 2.388(5) . . ?
O71 C7 2.916(5) . . ?
O71 C8 2.842(5) . . ?
O71 O1 2.676(4) . . ?
O71 O5 2.927(4) . . ?
O71 S5' 3.781(5) . . ?
O71 H7a 2.53(4) . . ?
O71 H8b 2.50(4) . . ?
C71 C73 2.418(7) . . ?
C71 C74 2.807(7) . . ?
C71 C75 2.421(6) . . ?
C71 C7 2.555(6) . . ?
C71 C8 2.538(6) . . ?
C71 S5' 3.409(5) . . ?
C71 H7a 2.59(3) . . ?
C71 H8b 2.69(4) . . ?
C72 C74 2.441(7) . . ?
C72 C75 2.790(6) . . ?
C72 C76 2.441(7) . . ?
C72 S5' 3.901(6) . . ?
C72 H73 2.07(5) . . ?
C72 H7a 1.98(3) . . ?
C72 H7b 2.05(4) . . ?
C73 C75 2.387(8) . . ?
C73 C76 2.793(8) . . ?
C73 C7 2.510(6) . . ?
C73 H74 2.00(5) . . ?
C73 H7b 2.69(4) . . ?
C74 C76 2.423(8) . . ?
C74 S0 3.932(7) . . ?
C74 H73 2.09(5) . . ?
C74 H75 2.05(5) . . ?
C75 C8 2.509(8) . . ?
C75 S5' 3.721(7) . . ?
C75 H74 2.06(6) . . ?
C75 H8a 2.68(5) . . ?
C76 C82 2.555(7) . . ?
C76 S5' 3.340(6) . . ?
C76 H75 2.02(5) . . ?
C76 H8a 1.99(5) . . ?
C76 H8b 2.12(5) . . ?
C7 H65 2.69(5) . . ?
C7 H73 2.62(5) . . ?
O81 C82 2.389(5) . . ?
O81 C86 2.395(6) . . ?
O81 C8 2.834(5) . . ?
O81 S2 3.243(3) . . ?
O81 O3 2.924(5) . . ?
O81 S3 3.821(4) . . ?
O81 H1b 2.68(4) . . ?
O81 H001'c 2.586(3) . . ?
C81 C83 2.419(7) . . ?
C81 C84 2.816(7) . . ?
C81 C85 2.413(7) . . ?
C81 C8 2.522(6) . . ?
C81 S3 3.592(5) . . ?
C81 H11 2.10(7) . . ?
C81 H1b 2.63(4) . . ?
C82 C84 2.421(8) . . ?
C82 C85 2.760(8) . . ?
C82 C86 2.422(7) . . ?
C82 H83 1.91(4) . . ?
C82 H8a 2.03(5) . . ?
C82 H8b 2.04(4) . . ?
C83 C85 2.363(8) . . ?
C83 C86 2.780(7) . . ?
C83 C8 2.528(7) . . ?
C83 H84 2.05(5) . . ?
C83 H8a 2.55(5) . . ?
C84 C86 2.435(8) . . ?
C84 H83 1.92(5) . . ?
C84 H85 1.94(6) . . ?
C85 H1a 2.54(4) . . ?
C85 H84 2.00(5) . . ?
C85 H002'b 2.616(7) . . ?
C86 S3 3.675(6) . . ?
C86 S0' 3.845(13) . . ?
C86 H11 2.57(7) . . ?
C86 H1a 2.02(5) . . ?
C86 H1b 1.94(4) . . ?
C86 H85 1.91(6) . . ?
C86 H002'b 2.551(5) . . ?
C8 S5' 3.732(6) . . ?
C8 H75 2.63(5) . . ?
C8 H83 2.62(5) . . ?
O1 C101 2.616(6) . . ?
O1 C102 2.630(5) . . ?
O1 O4 2.950(4) . . ?
S1 S1 4.4528(16) . '3 665' ?
S1 C102 3.809(5) . '3 665' ?
S1 O2 3.819(3) . . ?
S1 O4 3.066(3) . . ?
S1 S4 4.2130(17) . . ?
S1 H3a 3.13(4) . . ?
S1 H101a 2.2862(12) . . ?
S1 H101b 2.2864(12) . . ?
S1 H101c 2.2864(11) . . ?
S1 H102a 3.3666(11) . '3 665' ?
S1 H102a 2.2857(11) . . ?
S1 H102b 2.2859(10) . . ?
S1 H102b 3.4700(12) . '3 665' ?
S1 H102c 2.2857(11) . . ?
S1 H402b 3.5306(11) . . ?
C101 C102 2.696(8) . . ?
O2 C201 2.606(8) . . ?
O2 C202 2.615(6) . . ?
O2 H102c 2.610(3) . . ?
S2 S7' 4.974(11) . . ?
S2 O8 3.490(5) . . ?
S2 S8 4.554(3) . . ?
S2 C001 3.721(14) . . ?
S2 S0' 4.928(11) . . ?
S2 H11 2.90(7) . . ?
S2 H102c 3.6137(12) . . ?
S2 H201a 2.2953(14) . . ?
S2 H201b 2.2957(14) . . ?
S2 H201c 2.2961(14) . . ?
S2 H202a 2.2881(13) . . ?
S2 H202b 2.2867(12) . . ?
S2 H202c 2.2877(12) . . ?
S2 H701'c 3.6339(13) . . ?
S2 H001a 3.4558(12) . . ?
S2 H001c 3.2575(13) . . ?
S2 H001'b 3.0276(13) . . ?
S2 H001'c 3.5452(12) . . ?
C201 C202 2.659(11) . . ?
C201 S3 3.966(7) . '4 564' ?
C202 S7' 3.819(12) . . ?
C202 H201a 2.589(7) . . ?
O3 C301 2.591(8) . . ?
O3 C302 2.597(6) . . ?
S3 H11 3.60(8) . . ?
S3 H201a 3.4010(16) . '4 565' ?
S3 H201c 3.5872(15) . '4 565' ?
S3 H301a 2.2723(16) . . ?
S3 H301b 2.2678(18) . . ?
S3 H301c 2.2684(18) . . ?
S3 H302a 2.2602(15) . . ?
S3 H302b 2.2571(15) . . ?
S3 H302c 2.2582(17) . . ?
S3 H301'a 1.7494(18) . . ?
S3 H301'b 2.4696(17) . . ?
S3 H301'c 2.3725(17) . . ?
S3 H302'a 1.7395(15) . . ?
S3 H302'b 2.3625(17) . . ?
S3 H302'c 2.4572(15) . . ?
S3' O8 3.966(7) . '4 565' ?
S3' S8 4.892(6) . '4 565' ?
S3' H301b 2.194(7) . . ?
S3' H301c 2.268(6) . . ?
S3' H302b 2.310(5) . . ?
S3' H302c 2.197(7) . . ?
S3' H301'a 2.077(7) . . ?
S3' H301'b 2.092(6) . . ?
S3' H301'c 2.090(7) . . ?
S3' H302'a 2.102(5) . . ?
S3' H302'b 2.110(7) . . ?
S3' H302'c 2.117(5) . . ?
C301 C302 2.674(9) . . ?
C301 H302a 2.669(7) . . ?
C302 S9 3.964(10) . '4 565' ?
O4 C401 2.623(7) . . ?
O4 C402 2.584(8) . . ?
O4 H401b 2.668(3) . . ?
S4 O6 3.705(5) . 4 ?
S4 S6 4.238(2) . 4 ?
S4 O7 3.979(6) . '3 665' ?
S4 C801 3.699(12) . '1 545' ?
S4 H51 2.97(7) . . ?
S4 H401a 2.2868(13) . . ?
S4 H401b 2.2850(15) . . ?
S4 H401c 2.2851(14) . . ?
S4 H402a 2.3370(16) . . ?
S4 H402b 2.3370(14) . . ?
S4 H402c 2.3013(14) . . ?
S4 H601a 3.6134(15) . 4 ?
S4 H801b 3.1450(13) . '1 545' ?
S4 H801c 3.4361(13) . '1 545' ?
C401 C402 2.695(13) . . ?
C402 H401a 2.593(9) . . ?
O5 C501 2.604(7) . . ?
O5 C502 2.561(7) . . ?
O5 H501'c 2.687(3) . . ?
S5 H501a 2.3072(17) . . ?
S5 H501b 2.305(2) . . ?
S5 H501c 2.306(2) . . ?
S5 H502a 2.1921(17) . . ?
S5 H502b 2.1899(16) . . ?
S5 H502c 2.1903(19) . . ?
S5 H501'a 1.813(2) . . ?
S5 H501'b 2.5365(18) . . ?
S5 H501'c 2.3648(18) . . ?
S5 H502'b 2.2964(19) . . ?
S5 H502'c 2.3979(16) . . ?
S5' H4b 3.63(5) . . ?
S5' H8a 3.35(5) . . ?
S5' H501a 1.792(4) . . ?
S5' H501b 2.495(5) . . ?
S5' H501c 2.376(5) . . ?
S5' H502b 2.183(4) . . ?
S5' H502c 2.007(4) . . ?
S5' H501'a 2.285(5) . . ?
S5' H501'b 2.289(5) . . ?
S5' H501'c 2.288(5) . . ?
S5' H502'a 1.951(4) . . ?
S5' H502'b 1.955(4) . . ?
S5' H502'c 1.956(4) . . ?
C501 C502 2.653(12) . . ?
C501 H502a 2.650(6) . . ?
O6 C601 2.659(8) . . ?
O6 C602 2.647(10) . . ?
O6 H24 2.63(5) . '3 665' ?
O6 H701'b 2.612(5) . '4 564' ?
S6 S8 4.353(4) . '4 564' ?
S6 C802" 3.23(5) . '4 564' ?
S6 H24 3.46(5) . '3 665' ?
S6 H5a 3.13(4) . '4 554' ?
S6 H601a 2.281(2) . . ?
S6 H601b 2.279(2) . . ?
S6 H601c 2.280(2) . . ?
S6 H602a 2.317(2) . . ?
S6 H602b 2.318(2) . . ?
S6 H602c 2.318(2) . . ?
S6 H701c 3.581(2) . '4 564' ?
S6 H701'b 3.429(2) . '4 564' ?
S6 H801b 3.614(2) . '4 564' ?
S6 H802"a 3.681(2) . '4 564' ?
S6 H802"b 3.090(2) . '4 564' ?
S6 H802"c 2.506(2) . '4 564' ?
C601 C602 2.664(10) . . ?
O7 S7' 3.786(10) . '3 675' ?
O7 C701 2.562(11) . . ?
O7 C702 2.637(11) . . ?
O7 H402c 2.350(6) . '3 665' ?
O7 H702a 2.595(6) . '3 675' ?
S7 S7' 4.185(9) . '3 675' ?
S7 H24 3.59(4) . '2 655' ?
S7 H25 3.42(5) . '2 655' ?
S7 H2b 3.36(4) . . ?
S7 H33 3.62(5) . '2 655' ?
S7 H402c 3.225(3) . '3 665' ?
S7 H701a 2.268(3) . . ?
S7 H701b 2.268(3) . . ?
S7 H701c 2.268(3) . . ?
S7 H702a 3.428(2) . '3 675' ?
S7 H702a 2.294(3) . . ?
S7 H702b 2.294(3) . . ?
S7 H702c 2.288(3) . . ?
S7 H701'b 2.535(3) . . ?
S7 H701'c 2.319(3) . . ?
S7 H702'a 1.701(3) . . ?
S7 H702'b 2.366(3) . . ?
S7 H702'c 2.532(3) . . ?
S7' S7' 3.356(12) . '3 675' ?
S7' C702 3.220(11) . '3 675' ?
S7' S8 4.602(12) . . ?
S7' H202a 3.223(10) . . ?
S7' H202c 3.482(10) . . ?
S7' H701b 2.139(9) . . ?
S7' H701c 2.274(8) . . ?
S7' H702a 1.818(10) . . ?
S7' H702a 2.391(8) . '3 675' ?
S7' H702b 2.495(9) . . ?
S7' H702c 3.299(9) . '3 675' ?
S7' H702c 2.652(11) . . ?
S7' H701'a 2.043(8) . . ?
S7' H701'b 2.051(10) . . ?
S7' H701'c 2.051(10) . . ?
S7' H702'a 2.412(10) . . ?
S7' H702'b 2.409(11) . . ?
S7' H702'b 2.667(9) . '3 675' ?
S7' H702'c 3.352(8) . '3 675' ?
S7' H702'c 2.417(9) . . ?
S7' H801c 3.664(11) . . ?
S7' H802"b 3.564(11) . . ?
C701 C702 2.663(14) . . ?
C701 H802"b 2.674(10) . . ?
C702 H701'a 2.636(10) . . ?
O8 C801 2.576(12) . . ?
O8 C802 2.680(14) . . ?
O8 C802" 2.45(5) . . ?
O8 H201c 2.681(5) . . ?
O8 H202c 2.542(5) . . ?
O8 H802"b 2.658(5) . . ?
S8 S9 4.973(10) . . ?
S8 C901 3.86(3) . . ?
S8 S0 4.665(5) . . ?
S8 O0' 3.526(16) . . ?
S8 S0' 3.756(11) . . ?
S8 H302'c 3.373(3) . '4 564' ?
S8 H701a 3.446(4) . . ?
S8 H701'b 3.581(4) . . ?
S8 H801a 2.186(3) . . ?
S8 H801b 2.187(3) . . ?
S8 H801c 2.190(4) . . ?
S8 H802a 2.449(4) . . ?
S8 H802b 2.447(4) . . ?
S8 H802c 2.449(4) . . ?
S8 H802"a 2.006(3) . . ?
S8 H802"b 2.011(4) . . ?
S8 H802"c 2.009(3) . . ?
S8 H901a 3.642(4) . . ?
S8 H901c 3.241(4) . . ?
S8 H001a 3.481(3) . . ?
S8 H002a 3.112(4) . . ?
S8 H001'b 3.686(3) . . ?
C801 C802 2.57(2) . . ?
C801 C802" 2.37(5) . . ?
C801 H802"b 2.675(13) . . ?
C801 H802"c 2.363(14) . . ?
C802 S9 3.398(16) . . ?
C802 H302'c 2.648(12) . '4 564' ?
C802 H801a 2.642(13) . . ?
C802 H901a 1.793(14) . . ?
C802 H901b 2.636(14) . . ?
C802 H901c 1.529(13) . . ?
C802 H002a 2.459(12) . . ?
C802" S0' 3.12(5) . . ?
C802" H801b 2.62(5) . . ?
C802" H801c 2.51(5) . . ?
O9 S9 3.84(2) . '3 775' ?
O9 C901 2.45(4) . . ?
O9 C902 2.04(3) . '3 775' ?
O9 C902 2.62(3) . . ?
O9 S0 3.81(3) . '3 775' ?
O9 H901a 2.68(3) . . ?
O9 H901b 2.55(3) . . ?
O9 H902a 2.16(2) . '3 775' ?
O9 H902b 2.03(2) . '3 775' ?
O9 H902c 1.69(2) . '3 775' ?
O9 H002c 2.66(2) . '3 775' ?
S9 S9 3.440(11) . '3 775' ?
S9 S0 4.569(10) . '3 775' ?
S9 S0 3.690(10) . . ?
S9 C002 2.18(3) . . ?
S9 O0' 3.83(2) . . ?
S9 S0' 4.948(16) . . ?
S9 H53 3.39(5) . '3 765' ?
S9 H54 2.93(7) . '3 765' ?
S9 H83 3.60(5) . '4 564' ?
S9 H302c 3.598(8) . '4 564' ?
S9 H302'b 3.534(7) . '4 564' ?
S9 H302'c 3.598(8) . '4 564' ?
S9 H802a 3.583(8) . . ?
S9 H802b 2.565(9) . . ?
S9 H802c 3.620(9) . . ?
S9 H901a 2.245(8) . . ?
S9 H901b 2.253(9) . . ?
S9 H901c 2.267(9) . . ?
S9 H902a 2.329(8) . . ?
S9 H902b 2.349(7) . . ?
S9 H902c 2.329(8) . . ?
S9 H902c 1.988(8) . '3 775' ?
S9 H002a 2.595(9) . . ?
S9 H002b 2.032(9) . . ?
S9 H002c 3.018(8) . '3 775' ?
S9 H002c 2.015(9) . . ?
C901 C902 2.55(4) . '3 775' ?
C901 C902 2.68(3) . . ?
C901 C002 2.85(3) . . ?
C901 H802a 2.12(2) . . ?
C901 H802b 1.53(3) . . ?
C901 H802c 2.00(3) . . ?
C901 H902a 2.70(2) . . ?
C901 H902b 1.77(2) . '3 775' ?
C901 H902c 2.69(2) . . ?
C901 H002a 2.55(2) . . ?
C901 H002c 2.61(2) . . ?
C902 S0 3.40(3) . . ?
C902 C002 2.46(4) . . ?
C902 H901b 2.44(3) . '3 775' ?
C902 H902c 1.71(2) . '3 775' ?
C902 H002b 2.68(3) . . ?
C902 H002c 1.56(3) . . ?
C902 H002c 2.28(3) . '3 775' ?
O0 C001 2.55(2) . . ?
O0 C002 2.47(3) . . ?
O0 H001a 2.645(19) . . ?
O0 H002a 2.425(19) . . ?
O0 H002c 2.32(2) . . ?
O0 H001'a 2.51(2) . . ?
O0 H002'b 2.52(2) . . ?
O0 H002'c 1.97(2) . . ?
S0 C002' 2.46(3) . . ?
S0 H43 3.60(5) . '2 755' ?
S0 H44 3.18(4) . '2 755' ?
S0 H54 3.25(7) . '3 765' ?
S0 H802b 3.642(4) . . ?
S0 H902a 3.308(5) . '3 775' ?
S0 H902b 3.570(5) . . ?
S0 H902c 2.898(5) . . ?
S0 H001a 2.170(4) . . ?
S0 H001b 2.175(4) . . ?
S0 H001c 2.176(4) . . ?
S0 H002a 1.974(4) . . ?
S0 H002b 1.982(5) . . ?
S0 H002c 1.978(5) . . ?
S0 H001'b 2.268(4) . . ?
S0 H001'c 2.400(4) . . ?
S0 H002'a 2.128(5) . . ?
S0 H002'b 3.065(5) . . ?
S0 H002'c 3.178(5) . . ?
C001 C002 2.55(3) . . ?
C001 O0' 2.80(2) . . ?
C001 C002' 2.74(3) . . ?
C001 H002a 2.508(15) . . ?
C002 O0' 2.25(3) . . ?
C002 S0' 2.94(3) . . ?
C002 H802b 2.42(2) . . ?
C002 H901c 2.55(2) . . ?
C002 H902a 2.22(3) . '3 775' ?
C002 H902c 2.21(2) . . ?
C002 H001c 2.57(2) . . ?
C002 H001'a 2.13(3) . . ?
C002 H001'b 2.56(3) . . ?
O0' C002' 2.51(3) . . ?
O0' H802"a 2.547(17) . . ?
O0' H902c 2.515(18) . . ?
O0' H001a 2.585(17) . . ?
O0' H002a 1.709(16) . . ?
O0' H002c 2.092(18) . . ?
O0' H002'a 2.648(16) . . ?
O0' H002'c 2.600(16) . . ?
S0' H1a 3.50(5) . . ?
S0' H1b 3.09(5) . . ?
S0' H802"a 2.128(11) . . ?
S0' H802"b 3.617(11) . . ?
S0' H802"c 3.379(11) . . ?
S0' H001b 2.323(11) . . ?
S0' H001c 2.820(12) . . ?
S0' H002a 2.492(13) . . ?
S0' H002b 3.482(13) . . ?
S0' H002c 3.206(13) . . ?
S0' H001'a 2.453(12) . . ?
S0' H001'b 2.468(11) . . ?
S0' H001'c 2.421(11) . . ?
S0' H002'a 1.978(10) . . ?
S0' H002'b 1.947(12) . . ?
S0' H002'c 1.958(11) . . ?
C002' H001b 2.66(2) . . ?
H11 H1b 2.24(9) . . ?
H13 H14 2.38(7) . . ?
H13 H1a 2.34(8) . . ?
H14 H15 2.32(6) . . ?
H1a H1b 1.45(6) . . ?
H1a H85 2.29(7) . . ?
H23 H24 2.32(6) . . ?
H24 H25 2.26(7) . . ?
H24 H702b 2.39(4) . '2 645' ?
H2a H2b 1.64(7) . . ?
H33 H34 2.31(6) . . ?
H34 H35 2.31(7) . . ?
H35 H6b 2.35(6) . 4 ?
H3a H3b 1.55(6) . . ?
H3b H401b 2.19(4) . . ?
H43 H44 2.36(7) . . ?
H43 H4a 2.18(6) . . ?
H44 H75 2.32(6) . '2 745' ?
H45 H5b 2.29(6) . . ?
H4a H4b 1.47(6) . . ?
H4b H8b 2.05(6) . . ?
H51 H5a 2.11(9) . . ?
H53 H5b 2.38(7) . . ?
H54 H902a 2.36(7) . '1 545' ?
H54 H002b 2.34(7) . '3 765' ?
H5a H5b 1.59(6) . . ?
H63 H6b 2.32(7) . . ?
H65 H73 2.32(7) . . ?
H6a H6b 1.53(8) . . ?
H73 H74 2.34(7) . . ?
H7a H7b 1.41(6) . . ?
H7b H201b 2.26(5) . . ?
H83 H84 2.30(7) . . ?
H83 H8a 2.34(7) . . ?
H84 H85 2.26(8) . . ?
H8a H8b 1.47(7) . . ?
H101a H101b 1.55140(17) . . ?
H101a H101c 1.55148(10) . . ?
H101b H101c 1.55147(11) . . ?
H102a H102b 1.55115(13) . . ?
H102a H102c 1.55141(10) . . ?
H102b H102c 1.55162(11) . . ?
H201a H201b 1.55133(10) . . ?
H201a H201c 1.55127(10) . . ?
H201b H201c 1.55134(17) . . ?
H201c H302b 2.27134(16) . '4 564' ?
H201c H001'b 2.37700(16) . . ?
H202a H202b 1.55141(12) . . ?
H202a H202c 1.55144(9) . . ?
H202b H202c 1.55125(15) . . ?
H301a H301b 1.55167(10) . . ?
H301a H301c 1.55159(12) . . ?
H301a H302a 2.3600(2) . . ?
H301a H301'a 1.8850(2) . . ?
H301a H301'c 1.24582(7) . . ?
H301b H301c 1.55155(12) . . ?
H301b H301'a 1.24507(7) . . ?
H301b H301'b 1.66683(11) . . ?
H301c H301'c 1.67230(13) . . ?
H301c H702c 2.33969(14) . '2 645' ?
H302a H302b 1.55172(13) . . ?
H302a H302c 1.55110(11) . . ?
H302a H302'a 1.8787(2) . . ?
H302a H302'b 1.27581(8) . . ?
H302a H802a 2.36562(17) . '4 565' ?
H302b H302c 1.55153(11) . . ?
H302b H302'b 1.66019(11) . . ?
H302c H302'a 1.27711(7) . . ?
H302c H302'c 1.66695(10) . . ?
H301'a H301'b 1.55142(15) . . ?
H301'a H301'c 1.55111(11) . . ?
H301'b H301'c 1.55125(12) . . ?
H301'b H702c 2.23672(15) . '2 645' ?
H302'a H302'b 1.55134(10) . . ?
H302'a H302'c 1.55122(15) . . ?
H302'b H302'c 1.55127(11) . . ?
H302'c H802a 2.19157(19) . '4 565' ?
H302'c H901a 2.36722(16) . '4 565' ?
H401a H401b 1.55141(12) . . ?
H401a H401c 1.55139(11) . . ?
H401b H401c 1.55134(16) . . ?
H402a H402b 1.55170(12) . . ?
H402a H402c 1.54596(11) . . ?
H402b H402c 1.51549(17) . . ?
H501a H501b 1.55129(10) . . ?
H501a H501c 1.55115(10) . . ?
H501a H501'a 1.89720(18) . . ?
H501a H501'b 1.01403(7) . . ?
H501a H501'c 1.12515(7) . . ?
H501b H501c 1.55130(12) . . ?
H501b H501'a 1.11485(8) . . ?
H501b H501'b 1.63110(10) . . ?
H501c H501'a 1.01717(7) . . ?
H501c H501'c 1.73742(13) . . ?
H502a H502b 1.55140(13) . . ?
H502a H502c 1.55147(13) . . ?
H502a H502'a 1.8654(2) . . ?
H502a H502'b 1.34784(9) . . ?
H502b H502c 1.55155(11) . . ?
H502b H502'b 1.62172(10) . . ?
H502c H502'a 1.35228(9) . . ?
H502c H502'c 1.65738(10) . . ?
H501'a H501'b 1.55143(13) . . ?
H501'a H501'c 1.55128(13) . . ?
H501'b H501'b 2.33061(18) . '3 765' ?
H501'b H501'c 1.55134(13) . . ?
H502'a H502'b 1.55154(10) . . ?
H502'a H502'c 1.55119(13) . . ?
H502'b H502'c 1.55145(10) . . ?
H601a H601b 1.55134(9) . . ?
H601a H601c 1.55151(9) . . ?
H601b H601c 1.55151(15) . . ?
H602a H602b 1.55114(10) . . ?
H602a H602c 1.55117(10) . . ?
H602b H602c 1.55105(15) . . ?
H701a H701b 1.55150(13) . . ?
H701a H701c 1.55150(14) . . ?
H701a H701'a 1.85538(13) . . ?
H701a H701'c 1.40237(13) . . ?
H701a H802"b 2.1778(2) . . ?
H701b H701c 1.55161(14) . . ?
H701b H701'a 1.40110(8) . . ?
H701b H701'b 1.60048(17) . . ?
H701c H701'c 1.63171(13) . . ?
H702a H702b 1.55128(14) . . ?
H702a H702c 1.55151(11) . . ?
H702a H702'a 1.90023(14) . . ?
H702a H702'b 1.10450(10) . . ?
H702a H702'c 1.10878(9) . . ?
H702b H702c 1.55143(11) . . ?
H702b H702'a 1.10643(8) . . ?
H702b H702'b 1.73101(11) . . ?
H702c H702'a 1.10713(7) . . ?
H702c H702'c 1.60398(12) . . ?
H701'a H701'b 1.55127(9) . . ?
H701'a H701'c 1.55151(9) . . ?
H701'b H701'c 1.55130(17) . . ?
H701'b H802"b 1.89007(16) . . ?
H702'a H702'b 1.55164(12) . . ?
H702'a H702'c 1.55120(10) . . ?
H702'b H702'c 1.55134(10) . . ?
H801a H801b 1.55132(11) . . ?
H801a H801c 1.55133(11) . . ?
H801b H801c 1.55117(12) . . ?
H801b H802"c 2.20380(15) . . ?
H802a H802b 1.55142(9) . . ?
H802a H802c 1.55131(10) . . ?
H802a H901a 1.52275(12) . . ?
H802a H901c 2.07291(15) . . ?
H802b H802c 1.55126(15) . . ?
H802b H901a 1.54269(11) . . ?
H802b H901c 1.10394(8) . . ?
H802b H002a 1.66969(10) . . ?
H802c H901a 2.11126(15) . . ?
H802c H901b 2.35394(16) . . ?
H802c H901c 1.40923(10) . . ?
H802"a H802"b 1.55127(14) . . ?
H802"a H802"c 1.55132(15) . . ?
H802"a H001a 2.2726(2) . . ?
H802"b H802"c 1.55116(12) . . ?
H901a H901b 1.55133(10) . . ?
H901a H901c 1.55121(14) . . ?
H901b H901c 1.55131(9) . . ?
H901b H902b 1.58359(11) . '3 775' ?
H901c H902b 2.14010(19) . '3 775' ?
H901c H002a 1.99897(18) . . ?
H901c H002c 2.29598(15) . . ?
H902a H902a 1.68221(18) . '3 775' ?
H902a H902b 1.56887(15) . . ?
H902a H902c 1.55645(9) . . ?
H902a H902c 1.56500(11) . '3 775' ?
H902a H002b 2.22738(16) . '3 775' ?
H902a H002c 1.60622(11) . '3 775' ?
H902b H902b 2.01339(13) . '3 775' ?
H902b H902c 1.57945(10) . . ?
H902b H902c 1.72890(14) . '3 775' ?
H902b H002c 2.05417(17) . . ?
H902b H002c 2.24890(15) . '3 775' ?
H902c H002c 1.15919(9) . . ?
H001a H001b 1.55135(12) . . ?
H001a H001c 1.55130(10) . . ?
H001a H001'a 1.83977(13) . . ?
H001a H001'b 1.06612(8) . . ?
H001a H001'c 1.43257(13) . . ?
H001b H001c 1.55139(14) . . ?
H001b H001'a 1.38830(8) . . ?
H001b H001'b 1.72549(11) . . ?
H001c H001'a 1.18063(9) . . ?
H001c H001'c 1.42935(13) . . ?
H002a H002b 1.55136(9) . . ?
H002a H002c 1.55146(14) . . ?
H002a H001'b 2.3822(2) . . ?
H002b H002c 1.55136(11) . . ?
H002b H001'a 2.19695(15) . . ?
H001'a H001'b 1.55120(13) . . ?
H001'a H001'c 1.55135(9) . . ?
H001'b H001'c 1.55122(11) . . ?
H002'a H002'b 1.55154(11) . . ?
H002'a H002'c 1.55137(10) . . ?
H002'b H002'c 1.55134(15) . . ?
