#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/31/7013167.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_7013167
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            'C248 H356 Eu2 O37 S4'
_chemical_formula_weight         4361.72
_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                 92.080(5)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   19.062(4)
_cell_length_b                   18.531(4)
_cell_length_c                   35.801(7)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    150
_cell_measurement_theta_max      26
_cell_measurement_theta_min      2
_cell_volume                     12638(5)
_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  .052
_diffrn_reflns_av_sigmaI/netI    .097
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            105461
_diffrn_reflns_theta_max         29.42
_diffrn_reflns_theta_min         1.58
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    .589
_exptl_absorpt_correction_T_max  .928
_exptl_absorpt_correction_T_min  .719
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.146
_exptl_crystal_description       plate
_exptl_crystal_F_000             4660
_exptl_crystal_size_max          .45
_exptl_crystal_size_mid          .3
_exptl_crystal_size_min          .1
_refine_diff_density_max         .939
_refine_diff_density_min         -.862
_refine_ls_extinction_coef       4895(2000)
_refine_ls_extinction_expression 'Eq22 p292 "Cryst. Comp." Munksgaard 1970'
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_all   1.482
_refine_ls_goodness_of_fit_ref   1.673
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           atomblock
_refine_ls_number_constraints    0
_refine_ls_number_parameters     1375
_refine_ls_number_reflns         21488
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .088
_refine_ls_R_factor_gt           .053
_refine_ls_shift/su_max          .049
_refine_ls_shift/su_mean         .002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .07
_refine_ls_wR_factor_ref         .065
_reflns_d_resolution_high        .723
_reflns_d_resolution_low         12.837
_reflns_Friedel_coverage         0
_reflns_limit_h_max              26
_reflns_limit_h_min              0
_reflns_limit_k_max              25
_reflns_limit_k_min              0
_reflns_limit_l_max              46
_reflns_limit_l_min              -46
_reflns_number_gt                21488
_reflns_number_total             31130
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            b305041f.txt
_cod_data_source_block           mo1
_cod_original_sg_symbol_Hall     -p_2yn
_cod_original_sg_symbol_H-M      P_1_21/n_1
_cod_database_code               7013167
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
Eu .584567(10) 1.002573(10) .030326(5) .01910(9) Uani ? ? 1.00000 ? ?
O11 .53734(13) .95596(13) .08262(7) .0220(14) Uani ? ? 1.00000 ? ?
C11 .5520(2) .8902(2) .09765(10) .023(2) Uani ? ? 1.00000 ? ?
C12 .5233(2) .8274(2) .08191(10) .023(2) Uani ? ? 1.00000 ? ?
C13 .5419(2) .7606(2) .09774(12) .031(2) Uani ? ? 1.00000 ? ?
C14 .5886(2) .7537(2) .12792(11) .033(2) Uani ? ? 1.00000 ? ?
C141 .6089(3) .6798(3) .14490(14) .049(3) Uani ? ? 1.00000 ? ?
C142 .6868(4) .6750(4) .1505(2) .104(6) Uani ? ? 1.00000 ? ?
C143 .5800(6) .6178(3) .1213(2) .124(6) Uani ? ? 1.00000 ? ?
C144 .5761(4) .6719(4) .18287(18) .081(5) Uani ? ? 1.00000 ? ?
C15 .6151(2) .8168(2) .14305(11) .032(2) Uani ? ? 1.00000 ? ?
C16 .5983(2) .8840(2) .12918(10) .024(2) Uani ? ? 1.00000 ? ?
C1 .6251(2) .9508(2) .14915(11) .027(2) Uani ? ? 1.00000 ? ?
O21 .51110(13) .93246(13) -.00723(6) .0201(14) Uani ? ? 1.00000 ? ?
C21 .52956(19) .86230(19) -.01270(10) .0196(18) Uani ? ? 1.00000 ? ?
C22 .5697(2) .8445(2) -.04371(10) .022(2) Uani ? ? 1.00000 ? ?
C23 .5829(2) .7719(2) -.05078(11) .026(2) Uani ? ? 1.00000 ? ?
C24 .5599(2) .7166(2) -.02750(11) .026(2) Uani ? ? 1.00000 ? ?
C241 .5756(2) .6380(2) -.03663(13) .037(3) Uani ? ? 1.00000 ? ?
C242 .5367(4) .6188(3) -.07352(18) .087(5) Uani ? ? 1.00000 ? ?
C243 .5481(3) .5857(3) -.00832(18) .061(4) Uani ? ? 1.00000 ? ?
C244 .6519(3) .6264(3) -.0407(2) .087(5) Uani ? ? 1.00000 ? ?
C25 .5239(2) .7375(2) .00423(11) .026(2) Uani ? ? 1.00000 ? ?
C26 .5097(2) .8092(2) .01178(10) .022(2) Uani ? ? 1.00000 ? ?
C2 .4729(2) .8286(2) .04786(11) .024(2) Uani ? ? 1.00000 ? ?
O31 .65347(13) 1.01624(13) -.01962(7) .0216(14) Uani ? ? 1.00000 ? ?
C31 .6995(2) .9690(2) -.03415(10) .0202(19) Uani ? ? 1.00000 ? ?
C32 .7712(2) .9745(2) -.02464(10) .024(2) Uani ? ? 1.00000 ? ?
C33 .8190(2) .9277(2) -.03976(11) .027(2) Uani ? ? 1.00000 ? ?
C34 .7986(2) .8737(2) -.06452(12) .030(2) Uani ? ? 1.00000 ? ?
C341 .8517(2) .8188(2) -.07948(14) .039(3) Uani ? ? 1.00000 ? ?
C342 .8270(3) .7843(4) -.11528(18) .084(5) Uani ? ? 1.00000 ? ?
C343 .8608(3) .7602(3) -.04935(17) .058(3) Uani ? ? 1.00000 ? ?
C344 .9226(3) .8542(3) -.08490(17) .055(3) Uani ? ? 1.00000 ? ?
C35 .7270(2) .8691(2) -.07379(11) .027(2) Uani ? ? 1.00000 ? ?
C36 .6768(2) .9145(2) -.05905(10) .023(2) Uani ? ? 1.00000 ? ?
C3 .6007(2) .9020(2) -.06850(10) .022(2) Uani ? ? 1.00000 ? ?
O41 .70452(13) 1.14194(14) -.03491(8) .0267(15) Uani ? ? 1.00000 ? ?
C41 .7753(2) 1.1432(2) -.04126(11) .024(2) Uani ? ? 1.00000 ? ?
C42 .7977(2) 1.1939(2) -.06725(11) .025(2) Uani ? ? 1.00000 ? ?
C43 .8697(2) 1.1991(2) -.07265(11) .029(2) Uani ? ? 1.00000 ? ?
C44 .9193(2) 1.1552(2) -.05475(12) .031(2) Uani ? ? 1.00000 ? ?
C441 .9965(2) 1.1628(3) -.06271(14) .045(3) Uani ? ? 1.00000 ? ?
C442 1.0089(3) 1.1531(5) -.10250(18) .102(6) Uani ? ? 1.00000 ? ?
C443 1.0415(3) 1.1134(4) -.0383(2) .090(5) Uani ? ? 1.00000 ? ?
C444 1.0203(3) 1.2412(4) -.0516(2) .095(5) Uani ? ? 1.00000 ? ?
C45 .8938(2) 1.1045(2) -.02974(11) .028(2) Uani ? ? 1.00000 ? ?
C46 .8230(2) 1.0974(2) -.02293(10) .024(2) Uani ? ? 1.00000 ? ?
C4 .7981(2) 1.0352(2) .00060(11) .025(2) Uani ? ? 1.00000 ? ?
O51 .67397(15) 1.28879(15) -.02217(8) .0341(17) Uani ? ? 1.00000 ? ?
C51 .7135(2) 1.3372(2) -.04152(11) .026(2) Uani ? ? 1.00000 ? ?
C52 .7173(2) 1.4066(2) -.02718(11) .028(2) Uani ? ? 1.00000 ? ?
C53 .7590(2) 1.4570(2) -.04505(12) .030(2) Uani ? ? 1.00000 ? ?
C54 .7962(2) 1.4405(2) -.07681(11) .029(2) Uani ? ? 1.00000 ? ?
C541 .8453(2) 1.4931(2) -.09577(14) .040(3) Uani ? ? 1.00000 ? ?
C542 .8246(3) 1.5006(3) -.13739(16) .063(4) Uani ? ? 1.00000 ? ?
C543 .9209(3) 1.4639(3) -.09220(17) .056(3) Uani ? ? 1.00000 ? ?
C544 .8448(3) 1.5673(3) -.07767(17) .058(3) Uani ? ? 1.00000 ? ?
C55 .7890(2) 1.3706(2) -.09072(11) .027(2) Uani ? ? 1.00000 ? ?
C56 .7481(2) 1.3186(2) -.07367(11) .025(2) Uani ? ? 1.00000 ? ?
C5 .7467(2) 1.2419(2) -.08845(11) .027(2) Uani ? ? 1.00000 ? ?
O61 .64226(15) 1.44407(17) .08079(8) .0372(18) Uani ? ? 1.00000 ? ?
C61 .7085(2) 1.4172(2) .07935(11) .027(2) Uani ? ? 1.00000 ? ?
C62 .7520(2) 1.4032(2) .11033(11) .029(2) Uani ? ? 1.00000 ? ?
C63 .8186(2) 1.3757(2) .10492(11) .027(2) Uani ? ? 1.00000 ? ?
C64 .8446(2) 1.3638(2) .06954(11) .028(2) Uani ? ? 1.00000 ? ?
C641 .9175(2) 1.3336(2) .06307(12) .033(2) Uani ? ? 1.00000 ? ?
C642 .9555(2) 1.3826(3) .03587(14) .045(3) Uani ? ? 1.00000 ? ?
C643 .9113(2) 1.2580(3) .04619(14) .044(3) Uani ? ? 1.00000 ? ?
C644 .9621(2) 1.3300(3) .09947(13) .040(3) Uani ? ? 1.00000 ? ?
C65 .7993(2) 1.3789(2) .03924(11) .027(2) Uani ? ? 1.00000 ? ?
C66 .7321(2) 1.4057(2) .04285(11) .026(2) Uani ? ? 1.00000 ? ?
C6 .6854(2) 1.4243(2) .00939(12) .034(2) Uani ? ? 1.00000 ? ?
O71 .58319(15) 1.42992(15) .15086(9) .0374(17) Uani ? ? 1.00000 ? ?
C71 .6101(2) 1.3677(2) .16697(11) .030(2) Uani ? ? 1.00000 ? ?
C72 .5685(2) 1.3157(2) .18318(11) .029(2) Uani ? ? 1.00000 ? ?
C73 .6004(2) 1.2557(2) .19903(12) .033(2) Uani ? ? 1.00000 ? ?
C74 .6728(2) 1.2443(2) .19822(12) .036(2) Uani ? ? 1.00000 ? ?
C741 .7060(3) 1.1748(3) .21398(14) .048(3) Uani ? ? 1.00000 ? ?
C742 .7128(4) 1.1209(3) .1822(2) .088(5) Uani ? ? 1.00000 ? ?
C743 .7787(3) 1.1900(3) .2305(2) .078(4) Uani ? ? 1.00000 ? ?
C744 .6618(4) 1.1384(5) .2426(2) .117(6) Uani ? ? 1.00000 ? ?
C75 .7126(2) 1.2974(2) .18117(12) .034(2) Uani ? ? 1.00000 ? ?
C76 .6826(2) 1.3595(2) .16610(11) .030(2) Uani ? ? 1.00000 ? ?
C7 .7286(2) 1.4176(2) .14968(11) .032(2) Uani ? ? 1.00000 ? ?
O81 .46870(15) 1.18986(16) .15080(8) .0340(16) Uani ? ? 1.00000 ? ?
C81 .4410(2) 1.1991(2) .18552(10) .027(2) Uani ? ? 1.00000 ? ?
C82 .4057(2) 1.1451(2) .20395(10) .025(2) Uani ? ? 1.00000 ? ?
C83 .3798(2) 1.1592(2) .23896(11) .029(2) Uani ? ? 1.00000 ? ?
C84 .3878(2) 1.2257(2) .25628(11) .032(2) Uani ? ? 1.00000 ? ?
C841 .3633(3) 1.2361(2) .29615(12) .038(3) Uani ? ? 1.00000 ? ?
C842 .4133(3) 1.1935(3) .32275(13) .055(3) Uani ? ? 1.00000 ? ?
C843 .3631(3) 1.3153(3) .30771(14) .058(3) Uani ? ? 1.00000 ? ?
C844 .2880(3) 1.2069(3) .29972(14) .055(3) Uani ? ? 1.00000 ? ?
C85 .4227(2) 1.2787(2) .23723(11) .032(2) Uani ? ? 1.00000 ? ?
C86 .4499(2) 1.2667(2) .20173(11) .026(2) Uani ? ? 1.00000 ? ?
C8 .4887(2) 1.3255(2) .18265(12) .034(2) Uani ? ? 1.00000 ? ?
O91 .50593(15) 1.04640(15) .13640(7) .0305(16) Uani ? ? 1.00000 ? ?
C91 .5149(2) 1.0135(2) .17065(11) .027(2) Uani ? ? 1.00000 ? ?
C92 .5739(2) .9710(2) .17925(11) .027(2) Uani ? ? 1.00000 ? ?
C93 .5811(2) .9416(2) .21484(11) .031(2) Uani ? ? 1.00000 ? ?
C94 .5317(2) .9513(2) .24193(11) .032(2) Uani ? ? 1.00000 ? ?
C941 .5398(3) .9192(3) .28119(11) .041(3) Uani ? ? 1.00000 ? ?
C942 .4709(3) .8826(4) .29186(16) .075(4) Uani ? ? 1.00000 ? ?
C943 .5594(4) .9788(3) .30895(15) .080(4) Uani ? ? 1.00000 ? ?
C944 .5966(3) .8606(3) .28335(13) .057(3) Uani ? ? 1.00000 ? ?
C95 .4738(2) .9938(2) .23216(11) .032(2) Uani ? ? 1.00000 ? ?
C96 .4647(2) 1.0247(2) .19688(11) .027(2) Uani ? ? 1.00000 ? ?
C9 .3990(2) 1.0694(2) .18773(11) .027(2) Uani ? ? 1.00000 ? ?
O10 .62488(15) 1.10801(14) .05749(8) .0310(16) Uani ? ? 1.00000 ? ?
S10 .63516(7) 1.18913(6) .05217(3) .0295(7) Uani ? ? .863(2) ? ?
S10' .6523(5) 1.1625(5) .0881(3) .043(5) Uani ? ? .137(2) ? ?
C101 .6005(3) 1.2287(3) .09183(16) .054(3) Uani ? ? 1.00000 ? ?
C102 .7257(2) 1.2030(3) .06304(15) .045(3) Uani ? ? 1.00000 ? ?
O20 .67459(16) .92387(17) .04788(8) .0422(19) Uani ? ? 1.00000 ? ?
S20 .69168(9) .84335(10) .05929(5) .0303(10) Uani ? ? .598(2) ? ?
S20' .74193(15) .87975(16) .04846(8) .0385(16) Uani ? ? .402(2) ? ?
C201 .7668(3) .8564(3) .08969(16) .059(3) Uani ? ? 1.00000 ? ?
C202 .7209(4) .8020(3) .0237(2) .085(5) Uani ? ? 1.00000 ? ?
O30 .9223(3) .9959(3) -.16721(17) .112(4) Uani ? ? 1.00000 ? ?
C30 .8595(3) .9992(3) -.1625(2) .075(4) Uani ? ? 1.00000 ? ?
C301 .8295(3) 1.0296(4) -.1294(2) .076(4) Uani ? ? 1.00000 ? ?
C302 .8108(5) .9680(6) -.1919(3) .147(9) Uani ? ? 1.00000 ? ?
O40 .8720(4) 1.1784(4) .1365(3) .212(8) Uani ? ? 1.00000 ? ?
C40 .9070(7) 1.1214(7) .1462(5) .269(15) Uani ? ? 1.00000 ? ?
C401 .9000(9) 1.0606(7) .1225(7) .32(2) Uani ? ? 1.00000 ? ?
C402 .9472(10) 1.1198(13) .1855(5) .39(3) Uani ? ? 1.00000 ? ?
O50 .8093(6) .9024(9) .1794(3) .400(16) Uani ? ? 1.00000 ? ?
C50 .8428(5) .8903(7) .2046(2) .155(9) Uani ? ? 1.00000 ? ?
C501 .8189(7) .9279(8) .2369(3) .220(13) Uani ? ? 1.00000 ? ?
C502 .9112(7) .8631(11) .2051(3) .298(17) Uani ? ? 1.00000 ? ?
O60 .8168(2) .6827(2) .07533(13) .083(3) Uani ? ? 1.00000 ? ?
C60 .8395(3) .6241(3) .0760(2) .079(5) Uani ? ? 1.00000 ? ?
C601 .8499(8) .5826(5) .0397(4) .214(12) Uani ? ? 1.00000 ? ?
C602 .8668(5) .5876(6) .1102(3) .158(9) Uani ? ? 1.00000 ? ?
O70 .3137(2) .8884(3) .18152(12) .095(4) Uani ? ? 1.00000 ? ?
C70 .3620(3) .8763(3) .16130(15) .051(3) Uani ? ? 1.00000 ? ?
C701 .3687(3) .9156(3) .12571(14) .048(3) Uani ? ? 1.00000 ? ?
C702 .4188(3) .8261(3) .17250(17) .069(4) Uani ? ? 1.00000 ? ?
O80 .3101(3) 1.4273(3) .20909(17) .130(5) Uani ? ? 1.00000 ? ?
C80 .2821(4) 1.3738(5) .1951(3) .134(7) Uani ? ? 1.00000 ? ?
C801 .3097(5) 1.3503(5) .1569(3) .143(8) Uani ? ? 1.00000 ? ?
C802 .2305(5) 1.3298(7) .2121(3) .183(10) Uani ? ? 1.00000 ? ?
O90 .4540(2) .4939(2) .15796(15) .086(3) Uani ? ? 1.00000 ? ?
C90 .4239(5) .5324(5) .1766(3) .083(7) Uani ? ? .671(7) ? ?
C901 .3670(4) .5793(5) .1657(4) .168(10) Uani ? ? 1.00000 ? ?
C902 .4487(10) .5334(10) .2196(5) .182(16) Uani ? ? .671(7) ? ?
C90' .4062(9) .5365(10) .1407(5) .065(11) Uani ? ? .329(7) ? ?
C902' .4204(16) .5739(15) .1036(10) .16(3) Uani ? ? .329(7) ? ?
O01 .2956(11) .9740(12) .2611(6) .248(9) Uiso ? ? .50000 ? ?
H13 .52187 .71751 .08642 .04000 Uiso ? ? 1.00000 ? ?
H142a .70048 .62968 .16168 .14200 Uiso ? ? 1.00000 ? ?
H142b .70333 .71255 .16770 .14200 Uiso ? ? 1.00000 ? ?
H142c .70975 .68075 .12789 .14200 Uiso ? ? 1.00000 ? ?
H143a .59288 .57224 .13173 .18600 Uiso ? ? 1.00000 ? ?
H143b .59841 .62029 .09648 .18600 Uiso ? ? 1.00000 ? ?
H143c .52996 .62020 .11863 .18600 Uiso ? ? 1.00000 ? ?
H144a .58901 .62647 .19376 .11400 Uiso ? ? 1.00000 ? ?
H144b .52692 .67533 .18047 .11400 Uiso ? ? 1.00000 ? ?
H144c .59372 .70941 .19917 .11400 Uiso ? ? 1.00000 ? ?
H15 .64667 .81357 .16467 .04100 Uiso ? ? 1.00000 ? ?
H1a .62883 .98970 .13172 .03300 Uiso ? ? 1.00000 ? ?
H1b .67071 .94206 .16033 .03300 Uiso ? ? 1.00000 ? ?
H23 .60806 .75908 -.07261 .03100 Uiso ? ? 1.00000 ? ?
H242a .54482 .56974 -.08030 .12400 Uiso ? ? 1.00000 ? ?
H242b .55132 .64924 -.09331 .12400 Uiso ? ? 1.00000 ? ?
H242c .48684 .62512 -.07122 .12400 Uiso ? ? 1.00000 ? ?
H243a .55812 .53689 -.01441 .09000 Uiso ? ? 1.00000 ? ?
H243b .49791 .59044 -.00646 .09000 Uiso ? ? 1.00000 ? ?
H243c .56861 .59541 .01627 .09000 Uiso ? ? 1.00000 ? ?
H244a .66175 .57715 -.04639 .11500 Uiso ? ? 1.00000 ? ?
H244b .67707 .63847 -.01774 .11500 Uiso ? ? 1.00000 ? ?
H244c .66933 .65612 -.06005 .11500 Uiso ? ? 1.00000 ? ?
H25 .50878 .70059 .02085 .03200 Uiso ? ? 1.00000 ? ?
H2a .45325 .87602 .04521 .02900 Uiso ? ? 1.00000 ? ?
H2b .43533 .79540 .05159 .02900 Uiso ? ? 1.00000 ? ?
H33 .86789 .93216 -.03227 .03500 Uiso ? ? 1.00000 ? ?
H342a .86072 .75038 -.12376 .12300 Uiso ? ? 1.00000 ? ?
H342b .81829 .81929 -.13436 .12300 Uiso ? ? 1.00000 ? ?
H342c .78370 .75823 -.11178 .12300 Uiso ? ? 1.00000 ? ?
H343a .89389 .72455 -.05629 .08500 Uiso ? ? 1.00000 ? ?
H343b .81756 .73763 -.04428 .08500 Uiso ? ? 1.00000 ? ?
H343c .87881 .78194 -.02607 .08500 Uiso ? ? 1.00000 ? ?
H344a .95551 .82048 -.09386 .08400 Uiso ? ? 1.00000 ? ?
H344b .94087 .87267 -.06118 .08400 Uiso ? ? 1.00000 ? ?
H344c .91843 .89370 -.10180 .08400 Uiso ? ? 1.00000 ? ?
H35 .71176 .83301 -.09179 .03400 Uiso ? ? 1.00000 ? ?
H3a .57522 .94583 -.06553 .02800 Uiso ? ? 1.00000 ? ?
H3b .59513 .88704 -.09413 .02800 Uiso ? ? 1.00000 ? ?
H41 .685(2) 1.099(2) -.0276(12) .051(14) Uiso ? ? 1.00000 ? ?
H43 .88591 1.23487 -.08985 .03600 Uiso ? ? 1.00000 ? ?
H442a 1.05773 1.15624 -.10786 .13300 Uiso ? ? 1.00000 ? ?
H442b .98345 1.18650 -.11766 .13300 Uiso ? ? 1.00000 ? ?
H442c .99373 1.10456 -.11049 .13300 Uiso ? ? 1.00000 ? ?
H443a 1.09000 1.11894 -.04325 .12300 Uiso ? ? 1.00000 ? ?
H443b 1.02832 1.06445 -.04226 .12300 Uiso ? ? 1.00000 ? ?
H443c 1.03538 1.12476 -.01230 .12300 Uiso ? ? 1.00000 ? ?
H444a 1.06911 1.24785 -.05503 .12300 Uiso ? ? 1.00000 ? ?
H444b 1.01305 1.24809 -.02468 .12300 Uiso ? ? 1.00000 ? ?
H444c .99397 1.27603 -.06462 .12300 Uiso ? ? 1.00000 ? ?
H45 .92687 1.07326 -.01680 .03400 Uiso ? ? 1.00000 ? ?
H4a .83604 1.01821 .01666 .03100 Uiso ? ? 1.00000 ? ?
H4b .76136 1.05153 .01619 .03100 Uiso ? ? 1.00000 ? ?
H51 .679(2) 1.252(2) -.0320(12) .044(13) Uiso ? ? 1.00000 ? ?
H53 .76322 1.50499 -.03493 .03700 Uiso ? ? 1.00000 ? ?
H542a .85449 1.53366 -.14939 .09200 Uiso ? ? 1.00000 ? ?
H542b .77699 1.51871 -.14007 .09200 Uiso ? ? 1.00000 ? ?
H542c .82621 1.45516 -.14957 .09200 Uiso ? ? 1.00000 ? ?
H543a .95283 1.49497 -.10379 .08300 Uiso ? ? 1.00000 ? ?
H543b .92327 1.41699 -.10364 .08300 Uiso ? ? 1.00000 ? ?
H543c .93474 1.45860 -.06631 .08300 Uiso ? ? 1.00000 ? ?
H544a .87590 1.59930 -.09009 .08400 Uiso ? ? 1.00000 ? ?
H544b .85990 1.56391 -.05207 .08400 Uiso ? ? 1.00000 ? ?
H544c .79875 1.58731 -.07918 .08400 Uiso ? ? 1.00000 ? ?
H55 .81301 1.35797 -.11301 .03400 Uiso ? ? 1.00000 ? ?
H5a .70021 1.22300 -.08705 .03300 Uiso ? ? 1.00000 ? ?
H5b .75836 1.24277 -.11448 .03300 Uiso ? ? 1.00000 ? ?
H61 .632(2) 1.444(2) .1007(12) .044(13) Uiso ? ? 1.00000 ? ?
H63 .84832 1.36436 .12642 .03500 Uiso ? ? 1.00000 ? ?
H642a 1.00151 1.36445 .03131 .06800 Uiso ? ? 1.00000 ? ?
H642b .96006 1.43029 .04566 .06800 Uiso ? ? 1.00000 ? ?
H642c .92983 1.38510 .01235 .06800 Uiso ? ? 1.00000 ? ?
H643a .95687 1.23826 .04209 .06400 Uiso ? ? 1.00000 ? ?
H643b .88548 1.25932 .02294 .06400 Uiso ? ? 1.00000 ? ?
H643c .88772 1.22647 .06282 .06400 Uiso ? ? 1.00000 ? ?
H644a 1.00765 1.31072 .09513 .06000 Uiso ? ? 1.00000 ? ?
H644b .93997 1.29939 .11720 .06000 Uiso ? ? 1.00000 ? ?
H644c .96755 1.37682 .11022 .06000 Uiso ? ? 1.00000 ? ?
H65 .81565 1.37013 .01446 .03500 Uiso ? ? 1.00000 ? ?
H6a .64189 1.39798 .01104 .04300 Uiso ? ? 1.00000 ? ?
H6b .67435 1.47470 .01003 .04300 Uiso ? ? 1.00000 ? ?
H71 .553(2) 1.437(2) .1524(11) .042(12) Uiso ? ? 1.00000 ? ?
H73 .57215 1.22019 .21098 .04000 Uiso ? ? 1.00000 ? ?
H742a .73446 1.07672 .19027 .12100 Uiso ? ? 1.00000 ? ?
H742b .74315 1.14077 .16292 .12100 Uiso ? ? 1.00000 ? ?
H742c .66900 1.11026 .16995 .12100 Uiso ? ? 1.00000 ? ?
H743a .79998 1.14678 .24027 .11500 Uiso ? ? 1.00000 ? ?
H743b .77686 1.22454 .25012 .11500 Uiso ? ? 1.00000 ? ?
H743c .80842 1.20874 .21164 .11500 Uiso ? ? 1.00000 ? ?
H744a .68434 1.09532 .25199 .16400 Uiso ? ? 1.00000 ? ?
H744b .61692 1.12578 .23219 .16400 Uiso ? ? 1.00000 ? ?
H744c .65535 1.16997 .26354 .16400 Uiso ? ? 1.00000 ? ?
H75 .76247 1.29039 .17981 .04300 Uiso ? ? 1.00000 ? ?
H7a .70264 1.46208 .14978 .04100 Uiso ? ? 1.00000 ? ?
H7b .76908 1.42305 .16590 .04100 Uiso ? ? 1.00000 ? ?
H81 .469(2) 1.150(2) .1483(12) .052(14) Uiso ? ? 1.00000 ? ?
H83 .35571 1.12100 .25180 .03800 Uiso ? ? 1.00000 ? ?
H842a .40013 1.19779 .34775 .08200 Uiso ? ? 1.00000 ? ?
H842b .46015 1.21121 .32045 .08200 Uiso ? ? 1.00000 ? ?
H842c .41289 1.14342 .31574 .08200 Uiso ? ? 1.00000 ? ?
H843a .34780 1.32021 .33283 .08700 Uiso ? ? 1.00000 ? ?
H843b .33363 1.34278 .29152 .08700 Uiso ? ? 1.00000 ? ?
H843c .41015 1.33398 .30710 .08700 Uiso ? ? 1.00000 ? ?
H844a .27256 1.21315 .32431 .08100 Uiso ? ? 1.00000 ? ?
H844b .28692 1.15662 .29355 .08100 Uiso ? ? 1.00000 ? ?
H844c .25675 1.23176 .28260 .08100 Uiso ? ? 1.00000 ? ?
H85 .42878 1.32617 .24846 .03900 Uiso ? ? 1.00000 ? ?
H8a .47276 1.32797 .15676 .04200 Uiso ? ? 1.00000 ? ?
H8b .47875 1.37084 .19396 .04200 Uiso ? ? 1.00000 ? ?
H91 .515(3) 1.021(3) .1220(14) .064(16) Uiso ? ? 1.00000 ? ?
H93 .62187 .91244 .22123 .04000 Uiso ? ? 1.00000 ? ?
H942a .47543 .86199 .31646 .10600 Uiso ? ? 1.00000 ? ?
H942b .45903 .84443 .27469 .10600 Uiso ? ? 1.00000 ? ?
H942c .43313 .91635 .29157 .10600 Uiso ? ? 1.00000 ? ?
H943a .56556 .95937 .33326 .11800 Uiso ? ? 1.00000 ? ?
H943b .52389 1.01457 .30859 .11800 Uiso ? ? 1.00000 ? ?
H943c .60276 1.00086 .30197 .11800 Uiso ? ? 1.00000 ? ?
H944a .60111 .84186 .30808 .08400 Uiso ? ? 1.00000 ? ?
H944b .64077 .88011 .27659 .08400 Uiso ? ? 1.00000 ? ?
H944c .58427 .82234 .26658 .08400 Uiso ? ? 1.00000 ? ?
H95 .43833 1.00177 .25032 .04000 Uiso ? ? 1.00000 ? ?
H9a .39197 1.07218 .16136 .03500 Uiso ? ? 1.00000 ? ?
H9b .35938 1.04601 .19806 .03500 Uiso ? ? 1.00000 ? ?
H101a .60356 1.28008 .08973 .06800 Uiso ? ? .863(2) ? ?
H101b .62712 1.21374 .11345 .06800 Uiso ? ? .863(2) ? ?
H101c .55242 1.21440 .09450 .06800 Uiso ? ? .863(2) ? ?
H102a .75469 1.18241 .04451 .05700 Uiso ? ? .863(2) ? ?
H102b .73952 1.18350 .08679 .05700 Uiso ? ? .863(2) ? ?
H102c .73586 1.25339 .06317 .05700 Uiso ? ? .863(2) ? ?
H101'a .60198 1.25852 .07004 .06800 Uiso ? ? .137(2) ? ?
H101'b .61444 1.25636 .11309 .06800 Uiso ? ? .137(2) ? ?
H101'c .55335 1.21171 .09412 .06800 Uiso ? ? .137(2) ? ?
H102'a .71814 1.19059 .03731 .05700 Uiso ? ? .137(2) ? ?
H102'b .76673 1.17983 .07257 .05700 Uiso ? ? .137(2) ? ?
H102'c .72806 1.25356 .06752 .05700 Uiso ? ? .137(2) ? ?
H201a .75364 .87779 .11269 .07100 Uiso ? ? .598(2) ? ?
H201b .80014 .88775 .07839 .07100 Uiso ? ? .598(2) ? ?
H201c .78951 .81151 .09515 .07100 Uiso ? ? .598(2) ? ?
H202a .75740 .82961 .01098 .08900 Uiso ? ? .598(2) ? ?
H202b .68638 .78962 .00497 .08900 Uiso ? ? .598(2) ? ?
H202c .74556 .75840 .03087 .08900 Uiso ? ? .598(2) ? ?
H201'a .72638 .85757 .10418 .07200 Uiso ? ? .402(2) ? ?
H201'b .79903 .89272 .09836 .07200 Uiso ? ? .402(2) ? ?
H201'c .78994 .81083 .08942 .07200 Uiso ? ? .402(2) ? ?
H202'a .73250 .81035 -.00218 .09400 Uiso ? ? .402(2) ? ?
H202'b .67285 .79346 .02485 .09400 Uiso ? ? .402(2) ? ?
H202'c .74556 .75840 .03087 .09400 Uiso ? ? .402(2) ? ?
H301a .86353 1.05416 -.11420 .10900 Uiso ? ? 1.00000 ? ?
H301b .80769 .99324 -.11438 .10900 Uiso ? ? 1.00000 ? ?
H301c .79357 1.06417 -.13628 .10900 Uiso ? ? 1.00000 ? ?
H302a .80272 1.00283 -.21261 .20200 Uiso ? ? 1.00000 ? ?
H302b .76710 .95413 -.18359 .20200 Uiso ? ? 1.00000 ? ?
H302c .83151 .92639 -.20366 .20200 Uiso ? ? 1.00000 ? ?
H401a .94633 1.04463 .11772 .42200 Uiso ? ? 1.00000 ? ?
H401b .87594 1.07568 .10166 .42200 Uiso ? ? 1.00000 ? ?
H401c .87697 1.02242 .13634 .42200 Uiso ? ? 1.00000 ? ?
H402a .96364 1.07139 .19264 .54600 Uiso ? ? 1.00000 ? ?
H402b .91982 1.13658 .20578 .54600 Uiso ? ? 1.00000 ? ?
H402c .98791 1.14986 .18612 .54600 Uiso ? ? 1.00000 ? ?
H501a .77160 .93522 .23347 .28600 Uiso ? ? 1.00000 ? ?
H501b .84270 .97601 .23555 .28600 Uiso ? ? 1.00000 ? ?
H501c .83633 .90721 .26060 .28600 Uiso ? ? 1.00000 ? ?
H502a .91729 .82827 .18706 .41600 Uiso ? ? 1.00000 ? ?
H502b .92584 .84671 .22925 .41600 Uiso ? ? 1.00000 ? ?
H502c .94332 .90404 .19961 .41600 Uiso ? ? 1.00000 ? ?
H601a .89618 .57071 .03790 .28200 Uiso ? ? 1.00000 ? ?
H601b .83130 .60952 .01985 .28200 Uiso ? ? 1.00000 ? ?
H601c .82182 .53788 .04153 .28200 Uiso ? ? 1.00000 ? ?
H602a .85523 .53568 .10834 .21400 Uiso ? ? 1.00000 ? ?
H602b .84715 .60581 .13145 .21400 Uiso ? ? 1.00000 ? ?
H602c .91631 .59030 .11143 .21400 Uiso ? ? 1.00000 ? ?
H701a .37682 .88172 .10639 .07100 Uiso ? ? 1.00000 ? ?
H701b .40791 .94740 .12817 .07100 Uiso ? ? 1.00000 ? ?
H701c .32645 .94189 .11954 .07100 Uiso ? ? 1.00000 ? ?
H702a .42368 .78830 .15447 .10200 Uiso ? ? 1.00000 ? ?
H702b .40945 .80349 .19613 .10200 Uiso ? ? 1.00000 ? ?
H702c .46278 .85047 .17526 .10200 Uiso ? ? 1.00000 ? ?
H801a .34724 1.38299 .14863 .20500 Uiso ? ? 1.00000 ? ?
H801b .27481 1.35063 .13666 .20500 Uiso ? ? 1.00000 ? ?
H801c .33069 1.30282 .15710 .20500 Uiso ? ? 1.00000 ? ?
H802a .19786 1.35875 .22470 .24100 Uiso ? ? 1.00000 ? ?
H802b .20474 1.29879 .19481 .24100 Uiso ? ? 1.00000 ? ?
H802c .25305 1.29798 .22975 .24100 Uiso ? ? 1.00000 ? ?
H901a .33951 .59049 .18594 .19400 Uiso ? ? .671(7) ? ?
H901b .33867 .55559 .14654 .19400 Uiso ? ? .671(7) ? ?
H901c .38512 .62396 .15525 .19400 Uiso ? ? .671(7) ? ?
H902a .41836 .50291 .23207 .26500 Uiso ? ? .671(7) ? ?
H902b .49493 .51699 .22072 .26500 Uiso ? ? .671(7) ? ?
H902c .44397 .58250 .22912 .26500 Uiso ? ? .671(7) ? ?
H901'a .40107 .60223 .18250 .24900 Uiso ? ? .329(7) ? ?
H901'b .33954 .54753 .17924 .24900 Uiso ? ? .329(7) ? ?
H901'c .34179 .61575 .15215 .24900 Uiso ? ? .329(7) ? ?
H902'a .42632 .62081 .10993 .23600 Uiso ? ? .329(7) ? ?
H902'b .36989 .56981 .09212 .23600 Uiso ? ? .329(7) ? ?
H902'c .44852 .54790 .09201 .23600 Uiso ? ? .329(7) ? ?
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 ? 0 496 .002 .002 'Int Tables Vol IV Tables 2.2B and 2.3.1'
H ? 0 712 0 0 'Int Tables Vol IV Tables 2.2B and 2.3.1'
Eu ? 0 4 -.542 3.669 'Int Tables Vol IV Tables 2.2B and 2.3.1'
O ? 0 74 .008 .006 'Int Tables Vol IV Tables 2.2B and 2.3.1'
S ? 0 8 .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
O11 Eu O21 . . . 90.91(9) ?
O11 Eu O31 . . . 161.26(9) ?
O11 Eu O10 . . . 96.34(9) ?
O11 Eu O20 . . . 81.35(10) ?
O11 Eu O21 . . '3 675' 99.28(9) ?
O21 Eu O31 . . . 87.71(9) ?
O21 Eu O10 . . . 155.59(9) ?
O21 Eu O20 . . . 103.36(10) ?
O21 Eu O21 . . '3 675' 68.32(9) ?
O31 Eu O10 . . . 92.54(9) ?
O31 Eu O20 . . . 80.80(10) ?
O31 Eu O21 . . '3 675' 97.56(9) ?
O10 Eu O20 . . . 100.76(10) ?
O10 Eu O21 . . '3 675' 87.48(9) ?
O20 Eu O21 . . '3 675' 171.64(10) ?
Eu O11 C11 . . . 125.8(2) ?
O11 C11 C12 . . . 121.1(3) ?
O11 C11 C16 . . . 120.2(3) ?
C12 C11 C16 . . . 118.6(3) ?
C11 C12 C13 . . . 118.9(3) ?
C11 C12 C2 . . . 122.4(3) ?
C13 C12 C2 . . . 118.7(3) ?
C12 C13 C14 . . . 123.0(4) ?
C12 C13 H13 . . . 118.0(4) ?
C14 C13 H13 . . . 119.0(4) ?
C13 C14 C141 . . . 122.4(4) ?
C13 C14 C15 . . . 116.5(4) ?
C141 C14 C15 . . . 121.0(4) ?
C14 C141 C142 . . . 109.9(5) ?
C14 C141 C143 . . . 111.8(4) ?
C14 C141 C144 . . . 109.4(4) ?
C142 C141 C143 . . . 111.6(6) ?
C142 C141 C144 . . . 108.2(5) ?
C143 C141 C144 . . . 105.8(5) ?
C141 C142 H142a . . . 111.1(6) ?
C141 C142 H142b . . . 109.8(6) ?
C141 C142 H142c . . . 111.7(7) ?
H142a C142 H142b . . . 106.5(8) ?
H142a C142 H142c . . . 109.3(7) ?
H142b C142 H142c . . . 108.3(7) ?
C141 C143 H143a . . . 111.7(7) ?
C141 C143 H143b . . . 109.8(7) ?
C141 C143 H143c . . . 111.1(7) ?
H143a C143 H143b . . . 107.9(8) ?
H143a C143 H143c . . . 108.7(8) ?
H143b C143 H143c . . . 107.5(8) ?
C141 C144 H144a . . . 109.9(6) ?
C141 C144 H144b . . . 110.6(6) ?
C141 C144 H144c . . . 109.1(6) ?
H144a C144 H144b . . . 109.6(7) ?
H144a C144 H144c . . . 108.1(6) ?
H144b C144 H144c . . . 109.4(7) ?
C14 C15 C16 . . . 123.4(4) ?
C14 C15 H15 . . . 118.2(4) ?
C16 C15 H15 . . . 118.4(4) ?
C11 C16 C15 . . . 119.5(4) ?
C11 C16 C1 . . . 120.2(3) ?
C15 C16 C1 . . . 120.1(3) ?
C16 C1 C92 . . . 108.8(3) ?
C16 C1 H1a . . . 109.9(3) ?
C16 C1 H1b . . . 110.3(4) ?
C92 C1 H1a . . . 109.8(4) ?
C92 C1 H1b . . . 109.9(3) ?
H1a C1 H1b . . . 108.1(4) ?
Eu O21 C21 . . . 117.8(2) ?
Eu O21 Eu . . '3 675' 111.68(10) ?
C21 O21 Eu . . '3 675' 130.5(2) ?
O21 C21 C22 . . . 119.1(3) ?
O21 C21 C26 . . . 120.7(3) ?
C22 C21 C26 . . . 120.1(3) ?
C21 C22 C23 . . . 118.4(3) ?
C21 C22 C3 . . . 121.9(3) ?
C23 C22 C3 . . . 119.6(3) ?
C22 C23 C24 . . . 122.4(4) ?
C22 C23 H23 . . . 119.0(4) ?
C24 C23 H23 . . . 118.6(4) ?
C23 C24 C241 . . . 120.2(4) ?
C23 C24 C25 . . . 116.8(3) ?
C241 C24 C25 . . . 122.9(4) ?
C24 C241 C242 . . . 108.3(4) ?
C24 C241 C243 . . . 113.2(4) ?
C24 C241 C244 . . . 111.2(4) ?
C242 C241 C243 . . . 105.1(4) ?
C242 C241 C244 . . . 109.1(5) ?
C243 C241 C244 . . . 109.8(4) ?
C241 C242 H242a . . . 111.2(6) ?
C241 C242 H242b . . . 110.9(6) ?
C241 C242 H242c . . . 110.3(6) ?
H242a C242 H242b . . . 108.6(7) ?
H242a C242 H242c . . . 107.8(7) ?
H242b C242 H242c . . . 107.9(6) ?
C241 C243 H243a . . . 112.2(5) ?
C241 C243 H243b . . . 111.0(5) ?
C241 C243 H243c . . . 110.6(5) ?
H243a C243 H243b . . . 108.1(5) ?
H243a C243 H243c . . . 107.9(5) ?
H243b C243 H243c . . . 106.8(6) ?
C241 C244 H244a . . . 111.2(5) ?
C241 C244 H244b . . . 110.1(6) ?
C241 C244 H244c . . . 110.9(5) ?
H244a C244 H244b . . . 107.9(6) ?
H244a C244 H244c . . . 108.6(8) ?
H244b C244 H244c . . . 108.0(5) ?
C24 C25 C26 . . . 121.9(4) ?
C24 C25 H25 . . . 118.2(4) ?
C26 C25 H25 . . . 119.9(4) ?
C21 C26 C25 . . . 120.0(3) ?
C21 C26 C2 . . . 120.8(3) ?
C25 C26 C2 . . . 119.2(3) ?
C12 C2 C26 . . . 112.1(3) ?
C12 C2 H2a . . . 109.0(3) ?
C12 C2 H2b . . . 109.4(3) ?
C26 C2 H2a . . . 108.7(3) ?
C26 C2 H2b . . . 109.5(3) ?
H2a C2 H2b . . . 108.1(4) ?
Eu O31 C31 . . . 129.1(2) ?
Eu O31 H41 . . . 117.1(15) ?
C31 O31 H41 . . . 106.7(15) ?
O31 C31 C32 . . . 119.9(3) ?
O31 C31 C36 . . . 121.3(3) ?
C32 C31 C36 . . . 118.8(3) ?
C31 C32 C33 . . . 120.6(4) ?
C31 C32 C4 . . . 120.2(3) ?
C33 C32 C4 . . . 119.0(3) ?
C32 C33 C34 . . . 122.1(4) ?
C32 C33 H33 . . . 118.7(4) ?
C34 C33 H33 . . . 119.1(4) ?
C33 C34 C341 . . . 121.7(4) ?
C33 C34 C35 . . . 116.5(4) ?
C341 C34 C35 . . . 121.7(4) ?
C34 C341 C342 . . . 112.9(4) ?
C34 C341 C343 . . . 106.3(4) ?
C34 C341 C344 . . . 111.0(4) ?
C342 C341 C343 . . . 108.9(4) ?
C342 C341 C344 . . . 109.3(4) ?
C343 C341 C344 . . . 108.4(4) ?
C341 C342 H342a . . . 111.0(5) ?
C341 C342 H342b . . . 111.4(6) ?
C341 C342 H342c . . . 110.3(6) ?
H342a C342 H342b . . . 108.7(6) ?
H342a C342 H342c . . . 107.4(7) ?
H342b C342 H342c . . . 107.8(6) ?
C341 C343 H343a . . . 111.5(5) ?
C341 C343 H343b . . . 111.7(5) ?
C341 C343 H343c . . . 109.6(4) ?
H343a C343 H343b . . . 109.4(5) ?
H343a C343 H343c . . . 107.1(5) ?
H343b C343 H343c . . . 107.4(6) ?
C341 C344 H344a . . . 111.2(5) ?
C341 C344 H344b . . . 109.5(5) ?
C341 C344 H344c . . . 111.1(5) ?
H344a C344 H344b . . . 107.9(5) ?
H344a C344 H344c . . . 109.4(6) ?
H344b C344 H344c . . . 107.7(5) ?
C34 C35 C36 . . . 123.6(4) ?
C34 C35 H35 . . . 118.0(4) ?
C36 C35 H35 . . . 118.4(4) ?
C31 C36 C35 . . . 118.4(3) ?
C31 C36 C3 . . . 121.9(3) ?
C35 C36 C3 . . . 119.7(3) ?
C22 C3 C36 . . . 111.8(3) ?
C22 C3 H3a . . . 108.7(3) ?
C22 C3 H3b . . . 108.8(3) ?
C36 C3 H3a . . . 109.7(3) ?
C36 C3 H3b . . . 109.5(3) ?
H3a C3 H3b . . . 108.2(4) ?
C41 O41 H41 . . . 118(3) ?
O41 C41 C42 . . . 116.5(3) ?
O41 C41 C46 . . . 122.7(3) ?
C42 C41 C46 . . . 120.8(4) ?
C41 C42 C43 . . . 117.7(4) ?
C41 C42 C5 . . . 121.7(3) ?
C43 C42 C5 . . . 120.6(3) ?
C42 C43 C44 . . . 123.5(4) ?
C42 C43 H43 . . . 118.5(4) ?
C44 C43 H43 . . . 118.0(4) ?
C43 C44 C441 . . . 120.6(4) ?
C43 C44 C45 . . . 116.3(4) ?
C441 C44 C45 . . . 123.1(4) ?
C44 C441 C442 . . . 111.4(4) ?
C44 C441 C443 . . . 111.7(4) ?
C44 C441 C444 . . . 108.2(4) ?
C442 C441 C443 . . . 112.3(5) ?
C442 C441 C444 . . . 107.7(6) ?
C443 C441 C444 . . . 105.2(5) ?
C441 C442 H442a . . . 112.3(5) ?
C441 C442 H442b . . . 112.3(7) ?
C441 C442 H442c . . . 109.8(6) ?
H442a C442 H442b . . . 109.1(8) ?
H442a C442 H442c . . . 106.0(8) ?
H442b C442 H442c . . . 107.0(6) ?
C441 C443 H443a . . . 111.1(7) ?
C441 C443 H443b . . . 110.4(6) ?
C441 C443 H443c . . . 109.8(6) ?
H443a C443 H443b . . . 109.2(7) ?
H443a C443 H443c . . . 108.0(6) ?
H443b C443 H443c . . . 108.2(7) ?
C441 C444 H444a . . . 111.3(6) ?
C441 C444 H444b . . . 108.5(6) ?
C441 C444 H444c . . . 111.6(6) ?
H444a C444 H444b . . . 106.3(7) ?
H444a C444 H444c . . . 111.0(8) ?
H444b C444 H444c . . . 107.8(7) ?
C44 C45 C46 . . . 122.7(4) ?
C44 C45 H45 . . . 118.5(4) ?
C46 C45 H45 . . . 118.8(4) ?
C41 C46 C45 . . . 118.9(4) ?
C41 C46 C4 . . . 121.0(3) ?
C45 C46 C4 . . . 119.8(3) ?
C32 C4 C46 . . . 109.7(3) ?
C32 C4 H4a . . . 110.2(4) ?
C32 C4 H4b . . . 110.0(3) ?
C46 C4 H4a . . . 109.7(3) ?
C46 C4 H4b . . . 109.4(4) ?
H4a C4 H4b . . . 107.7(4) ?
C51 O51 H51 . . . 106(3) ?
O51 C51 C52 . . . 116.2(3) ?
O51 C51 C56 . . . 122.7(3) ?
C52 C51 C56 . . . 121.1(4) ?
C51 C52 C53 . . . 118.3(4) ?
C51 C52 C6 . . . 120.6(4) ?
C53 C52 C6 . . . 120.6(4) ?
C52 C53 C54 . . . 122.8(4) ?
C52 C53 H53 . . . 119.1(4) ?
C54 C53 H53 . . . 118.1(4) ?
C53 C54 C541 . . . 124.0(4) ?
C53 C54 C55 . . . 116.7(4) ?
C541 C54 C55 . . . 119.2(4) ?
C54 C541 C542 . . . 110.5(4) ?
C54 C541 C543 . . . 109.0(4) ?
C54 C541 C544 . . . 112.0(4) ?
C542 C541 C543 . . . 108.6(4) ?
C542 C541 C544 . . . 109.1(4) ?
C543 C541 C544 . . . 107.6(4) ?
C541 C542 H542a . . . 111.1(5) ?
C541 C542 H542b . . . 109.5(5) ?
C541 C542 H542c . . . 110.8(5) ?
H542a C542 H542b . . . 107.9(5) ?
H542a C542 H542c . . . 109.5(6) ?
H542b C542 H542c . . . 107.9(6) ?
C541 C543 H543a . . . 111.4(5) ?
C541 C543 H543b . . . 109.9(5) ?
C541 C543 H543c . . . 109.9(5) ?
H543a C543 H543b . . . 108.8(6) ?
H543a C543 H543c . . . 109.1(5) ?
H543b C543 H543c . . . 107.6(5) ?
C541 C544 H544a . . . 110.4(5) ?
C541 C544 H544b . . . 110.2(4) ?
C541 C544 H544c . . . 110.3(5) ?
H544a C544 H544b . . . 108.5(5) ?
H544a C544 H544c . . . 108.4(5) ?
H544b C544 H544c . . . 109.0(6) ?
C54 C55 C56 . . . 122.4(4) ?
C54 C55 H55 . . . 118.6(4) ?
C56 C55 H55 . . . 119.0(4) ?
C51 C56 C55 . . . 118.7(4) ?
C51 C56 C5 . . . 121.2(3) ?
C55 C56 C5 . . . 119.9(3) ?
C42 C5 C56 . . . 112.1(3) ?
C42 C5 H5a . . . 109.9(4) ?
C42 C5 H5b . . . 109.2(4) ?
C56 C5 H5a . . . 109.2(4) ?
C56 C5 H5b . . . 108.7(3) ?
H5a C5 H5b . . . 107.6(4) ?
C61 O61 H61 . . . 108(3) ?
O61 C61 C62 . . . 124.6(4) ?
O61 C61 C66 . . . 114.7(3) ?
C62 C61 C66 . . . 120.7(4) ?
C61 C62 C63 . . . 118.7(4) ?
C61 C62 C7 . . . 121.6(4) ?
C63 C62 C7 . . . 119.7(4) ?
C62 C63 C64 . . . 122.8(4) ?
C62 C63 H63 . . . 118.9(4) ?
C64 C63 H63 . . . 118.4(4) ?
C63 C64 C641 . . . 123.5(4) ?
C63 C64 C65 . . . 116.5(4) ?
C641 C64 C65 . . . 120.0(4) ?
C64 C641 C642 . . . 109.5(4) ?
C64 C641 C643 . . . 109.8(3) ?
C64 C641 C644 . . . 111.6(3) ?
C642 C641 C643 . . . 108.8(4) ?
C642 C641 C644 . . . 107.9(4) ?
C643 C641 C644 . . . 109.2(4) ?
C641 C642 H642a . . . 110.9(5) ?
C641 C642 H642b . . . 110.7(4) ?
C641 C642 H642c . . . 110.5(4) ?
H642a C642 H642b . . . 108.3(5) ?
H642a C642 H642c . . . 107.9(5) ?
H642b C642 H642c . . . 108.3(5) ?
C641 C643 H643a . . . 110.6(4) ?
C641 C643 H643b . . . 110.6(4) ?
C641 C643 H643c . . . 110.2(4) ?
H643a C643 H643b . . . 108.6(5) ?
H643a C643 H643c . . . 108.1(5) ?
H643b C643 H643c . . . 108.6(5) ?
C641 C644 H644a . . . 110.9(4) ?
C641 C644 H644b . . . 110.1(4) ?
C641 C644 H644c . . . 110.6(4) ?
H644a C644 H644b . . . 108.1(5) ?
H644a C644 H644c . . . 108.7(4) ?
H644b C644 H644c . . . 108.3(4) ?
C64 C65 C66 . . . 123.4(4) ?
C64 C65 H65 . . . 118.1(4) ?
C66 C65 H65 . . . 118.5(4) ?
C61 C66 C65 . . . 117.8(4) ?
C61 C66 C6 . . . 120.2(4) ?
C65 C66 C6 . . . 122.0(4) ?
C52 C6 C66 . . . 113.4(3) ?
C52 C6 H6a . . . 108.6(4) ?
C52 C6 H6b . . . 109.3(4) ?
C66 C6 H6a . . . 108.6(4) ?
C66 C6 H6b . . . 109.1(4) ?
H6a C6 H6b . . . 107.5(4) ?
C71 O71 H71 . . . 119(4) ?
O71 C71 C72 . . . 123.0(4) ?
O71 C71 C76 . . . 115.9(4) ?
C72 C71 C76 . . . 121.1(4) ?
C71 C72 C73 . . . 118.7(4) ?
C71 C72 C8 . . . 119.7(4) ?
C73 C72 C8 . . . 121.6(4) ?
C72 C73 C74 . . . 122.4(4) ?
C72 C73 H73 . . . 119.3(4) ?
C74 C73 H73 . . . 118.4(4) ?
C73 C74 C741 . . . 121.0(4) ?
C73 C74 C75 . . . 117.0(4) ?
C741 C74 C75 . . . 122.0(4) ?
C74 C741 C742 . . . 108.7(4) ?
C74 C741 C743 . . . 110.3(4) ?
C74 C741 C744 . . . 113.1(5) ?
C742 C741 C743 . . . 108.2(5) ?
C742 C741 C744 . . . 106.3(5) ?
C743 C741 C744 . . . 110.1(5) ?
C741 C742 H742a . . . 112.6(6) ?
C741 C742 H742b . . . 110.3(5) ?
C741 C742 H742c . . . 112.6(6) ?
H742a C742 H742b . . . 105.8(7) ?
H742a C742 H742c . . . 108.8(6) ?
H742b C742 H742c . . . 106.2(7) ?
C741 C743 H743a . . . 110.9(5) ?
C741 C743 H743b . . . 110.8(5) ?
C741 C743 H743c . . . 110.3(6) ?
H743a C743 H743b . . . 108.6(7) ?
H743a C743 H743c . . . 107.8(6) ?
H743b C743 H743c . . . 108.3(6) ?
C741 C744 H744a . . . 110.7(6) ?
C741 C744 H744b . . . 111.0(7) ?
C741 C744 H744c . . . 110.3(7) ?
H744a C744 H744b . . . 108.5(8) ?
H744a C744 H744c . . . 107.6(8) ?
H744b C744 H744c . . . 108.6(7) ?
C74 C75 C76 . . . 122.2(4) ?
C74 C75 H75 . . . 118.6(4) ?
C76 C75 H75 . . . 119.2(4) ?
C71 C76 C75 . . . 118.6(4) ?
C71 C76 C7 . . . 121.2(4) ?
C75 C76 C7 . . . 120.2(4) ?
C62 C7 C76 . . . 115.3(3) ?
C62 C7 H7a . . . 108.9(4) ?
C62 C7 H7b . . . 109.0(4) ?
C76 C7 H7a . . . 107.6(4) ?
C76 C7 H7b . . . 107.7(4) ?
H7a C7 H7b . . . 108.2(4) ?
C81 O81 H81 . . . 104(3) ?
O81 C81 C82 . . . 123.3(4) ?
O81 C81 C86 . . . 116.4(4) ?
C82 C81 C86 . . . 120.4(4) ?
C81 C82 C83 . . . 119.2(4) ?
C81 C82 C9 . . . 121.2(3) ?
C83 C82 C9 . . . 119.4(4) ?
C82 C83 C84 . . . 122.3(4) ?
C82 C83 H83 . . . 118.7(4) ?
C84 C83 H83 . . . 119.0(4) ?
C83 C84 C841 . . . 119.8(4) ?
C83 C84 C85 . . . 117.3(4) ?
C841 C84 C85 . . . 122.7(4) ?
C84 C841 C842 . . . 108.1(4) ?
C84 C841 C843 . . . 112.2(4) ?
C84 C841 C844 . . . 110.4(4) ?
C842 C841 C843 . . . 109.5(4) ?
C842 C841 C844 . . . 109.0(4) ?
C843 C841 C844 . . . 107.6(4) ?
C841 C842 H842a . . . 111.4(5) ?
C841 C842 H842b . . . 109.2(5) ?
C841 C842 H842c . . . 109.6(4) ?
H842a C842 H842b . . . 109.5(5) ?
H842a C842 H842c . . . 109.3(5) ?
H842b C842 H842c . . . 107.8(5) ?
C841 C843 H843a . . . 110.5(5) ?
C841 C843 H843b . . . 111.2(5) ?
C841 C843 H843c . . . 109.2(5) ?
H843a C843 H843b . . . 109.2(6) ?
H843a C843 H843c . . . 107.6(5) ?
H843b C843 H843c . . . 109.1(5) ?
C841 C844 H844a . . . 110.9(5) ?
C841 C844 H844b . . . 109.5(5) ?
C841 C844 H844c . . . 109.7(5) ?
H844a C844 H844b . . . 109.2(5) ?
H844a C844 H844c . . . 109.3(5) ?
H844b C844 H844c . . . 108.2(5) ?
C84 C85 C86 . . . 122.3(4) ?
C84 C85 H85 . . . 119.4(4) ?
C86 C85 H85 . . . 118.3(4) ?
C81 C86 C85 . . . 118.4(4) ?
C81 C86 C8 . . . 121.4(4) ?
C85 C86 C8 . . . 120.2(4) ?
C72 C8 C86 . . . 114.6(3) ?
C72 C8 H8a . . . 107.2(4) ?
C72 C8 H8b . . . 108.1(4) ?
C86 C8 H8a . . . 109.3(4) ?
C86 C8 H8b . . . 109.7(4) ?
H8a C8 H8b . . . 107.7(4) ?
C91 O91 H91 . . . 109(4) ?
O91 C91 C92 . . . 121.3(4) ?
O91 C91 C96 . . . 118.3(3) ?
C92 C91 C96 . . . 120.5(4) ?
C1 C92 C91 . . . 120.8(3) ?
C1 C92 C93 . . . 120.5(4) ?
C91 C92 C93 . . . 118.3(4) ?
C92 C93 C94 . . . 123.0(4) ?
C92 C93 H93 . . . 119.2(4) ?
C94 C93 H93 . . . 117.8(4) ?
C93 C94 C941 . . . 123.0(4) ?
C93 C94 C95 . . . 116.7(4) ?
C941 C94 C95 . . . 120.2(4) ?
C94 C941 C942 . . . 110.0(4) ?
C94 C941 C943 . . . 109.4(4) ?
C94 C941 C944 . . . 111.7(4) ?
C942 C941 C943 . . . 110.4(5) ?
C942 C941 C944 . . . 106.4(4) ?
C943 C941 C944 . . . 109.0(4) ?
C941 C942 H942a . . . 110.7(5) ?
C941 C942 H942b . . . 110.5(5) ?
C941 C942 H942c . . . 111.1(6) ?
H942a C942 H942b . . . 107.8(7) ?
H942a C942 H942c . . . 108.3(6) ?
H942b C942 H942c . . . 108.4(6) ?
C941 C943 H943a . . . 110.1(5) ?
C941 C943 H943b . . . 109.9(6) ?
C941 C943 H943c . . . 109.3(5) ?
H943a C943 H943b . . . 110.1(6) ?
H943a C943 H943c . . . 108.7(7) ?
H943b C943 H943c . . . 108.6(6) ?
C941 C944 H944a . . . 110.2(5) ?
C941 C944 H944b . . . 110.2(5) ?
C941 C944 H944c . . . 109.8(5) ?
H944a C944 H944b . . . 108.8(5) ?
H944a C944 H944c . . . 109.1(6) ?
H944b C944 H944c . . . 108.7(5) ?
C94 C95 C96 . . . 122.2(4) ?
C94 C95 H95 . . . 119.1(4) ?
C96 C95 H95 . . . 118.7(4) ?
C91 C96 C95 . . . 119.3(4) ?
C91 C96 C9 . . . 121.3(3) ?
C95 C96 C9 . . . 119.5(4) ?
C82 C9 C96 . . . 111.2(3) ?
C82 C9 H9a . . . 109.7(4) ?
C82 C9 H9b . . . 109.1(4) ?
C96 C9 H9a . . . 109.1(4) ?
C96 C9 H9b . . . 108.9(4) ?
H9a C9 H9b . . . 108.9(4) ?
Eu O10 S10 . . . 145.51(17) ?
Eu O10 S10' . . . 160.1(4) ?
S10 O10 S10' . . . 54.0(3) ?
O10 S10 S10' . . . 64.4(4) ?
O10 S10 C101 . . . 104.9(2) ?
O10 S10 C102 . . . 104.1(2) ?
O10 S10 H101'a . . . 134.06(14) ?
O10 S10 H102'a . . . 100.43(12) ?
S10' S10 C101 . . . 59.1(4) ?
S10' S10 C102 . . . 70.0(4) ?
S10' S10 H101'a . . . 89.9(4) ?
S10' S10 H102'a . . . 96.0(4) ?
C101 S10 C102 . . . 98.9(2) ?
C101 S10 H101'a . . . 32.95(18) ?
C101 S10 H102'a . . . 129.47(19) ?
C102 S10 H101'a . . . 101.18(17) ?
C102 S10 H102'a . . . 31.91(17) ?
H101'a S10 H102'a . . . 120.58(7) ?
O10 S10' S10 . . . 61.6(4) ?
O10 S10' C101 . . . 111.3(6) ?
O10 S10' C102 . . . 99.2(5) ?
O10 S10' H101b . . . 140.5(7) ?
S10 S10' C101 . . . 71.3(5) ?
S10 S10' C102 . . . 64.4(4) ?
S10 S10' H101b . . . 106.2(6) ?
C101 S10' C102 . . . 102.2(5) ?
C101 S10' H101b . . . 36.5(3) ?
C102 S10' H101b . . . 108.7(5) ?
S10 C101 S10' . . . 49.6(4) ?
S10 C101 H101a . . . 109.1(4) ?
S10 C101 H101b . . . 109.4(4) ?
S10 C101 H101c . . . 110.8(4) ?
S10 C101 H101'a . . . 63.7(3) ?
S10 C101 H101'b . . . 140.8(5) ?
S10 C101 H101'c . . . 108.4(4) ?
S10' C101 H101a . . . 136.3(6) ?
S10' C101 H101b . . . 61.7(4) ?
S10' C101 H101c . . . 113.3(5) ?
S10' C101 H101'a . . . 110.0(6) ?
S10' C101 H101'b . . . 109.1(5) ?
S10' C101 H101'c . . . 110.1(5) ?
H101a C101 H101b . . . 108.7(5) ?
H101a C101 H101c . . . 110.1(5) ?
H101a C101 H101'a . . . 50.0(3) ?
H101a C101 H101'b . . . 60.6(3) ?
H101a C101 H101'c . . . 113.2(5) ?
H101b C101 H101c . . . 108.8(5) ?
H101b C101 H101'a . . . 143.1(6) ?
H101b C101 H101'b . . . 51.6(3) ?
H101b C101 H101'c . . . 108.0(5) ?
H101c C101 H101'a . . . 107.3(5) ?
H101c C101 H101'b . . . 108.1(5) ?
H101c C101 H101'c . . . 3.264(19) ?
H101'a C101 H101'b . . . 109.0(5) ?
H101'a C101 H101'c . . . 108.4(5) ?
H101'b C101 H101'c . . . 110.2(5) ?
S10 C102 S10' . . . 45.6(3) ?
S10 C102 H102a . . . 111.8(4) ?
S10 C102 H102b . . . 112.1(4) ?
S10 C102 H102c . . . 109.8(4) ?
S10 C102 H102'a . . . 69.0(3) ?
S10 C102 H102'b . . . 143.0(4) ?
S10 C102 H102'c . . . 102.7(3) ?
S10' C102 H102a . . . 129.8(5) ?
S10' C102 H102b . . . 66.5(4) ?
S10' C102 H102c . . . 123.5(5) ?
S10' C102 H102'a . . . 106.3(4) ?
S10' C102 H102'b . . . 105.7(5) ?
S10' C102 H102'c . . . 110.5(5) ?
H102a C102 H102b . . . 108.6(5) ?
H102a C102 H102c . . . 105.8(5) ?
H102a C102 H102'a . . . 46.1(2) ?
H102a C102 H102'b . . . 65.1(3) ?
H102a C102 H102'c . . . 119.0(5) ?
H102b C102 H102c . . . 108.5(5) ?
H102b C102 H102'a . . . 142.8(6) ?
H102b C102 H102'b . . . 46.1(2) ?
H102b C102 H102'c . . . 102.3(5) ?
H102c C102 H102'a . . . 105.3(5) ?
H102c C102 H102'b . . . 106.2(4) ?
H102c C102 H102'c . . . 13.22(7) ?
H102'a C102 H102'b . . . 109.4(5) ?
H102'a C102 H102'c . . . 113.9(5) ?
H102'b C102 H102'c . . . 110.7(5) ?
Eu O20 S20 . . . 143.89(19) ?
Eu O20 S20' . . . 163.0(2) ?
S20 O20 S20' . . . 47.32(16) ?
O20 S20 S20' . . . 64.0(2) ?
O20 S20 C201 . . . 100.6(2) ?
O20 S20 C202 . . . 108.7(3) ?
O20 S20 H202'b . . . 108.30(15) ?
S20' S20 C201 . . . 60.4(2) ?
S20' S20 C202 . . . 73.6(3) ?
S20' S20 H202'b . . . 103.35(18) ?
C201 S20 C202 . . . 104.8(3) ?
C201 S20 H202'b . . . 135.5(2) ?
C202 S20 H202'b . . . 34.1(3) ?
O20 S20' S20 . . . 68.7(2) ?
O20 S20' C201 . . . 112.4(3) ?
O20 S20' C202 . . . 105.1(3) ?
O20 S20' H201b . . . 123.4(2) ?
O20 S20' H202a . . . 117.5(2) ?
S20 S20' C201 . . . 76.8(3) ?
S20 S20' C202 . . . 62.7(3) ?
S20 S20' H201b . . . 112.5(2) ?
S20 S20' H202a . . . 96.3(2) ?
C201 S20' C202 . . . 107.7(3) ?
C201 S20' H201b . . . 35.8(2) ?
C201 S20' H202a . . . 122.6(3) ?
C202 S20' H201b . . . 126.2(3) ?
C202 S20' H202a . . . 33.8(2) ?
H201b S20' H202a . . . 118.38(18) ?
S20 C201 S20' . . . 42.78(18) ?
S20 C201 H201a . . . 110.6(4) ?
S20 C201 H201b . . . 110.7(4) ?
S20 C201 H201c . . . 110.7(4) ?
S20 C201 H201'a . . . 71.6(3) ?
S20 C201 H201'b . . . 141.8(5) ?
S20 C201 H201'c . . . 103.6(4) ?
S20' C201 H201a . . . 127.3(5) ?
S20' C201 H201b . . . 68.0(3) ?
S20' C201 H201c . . . 122.9(5) ?
S20' C201 H201'a . . . 106.3(4) ?
S20' C201 H201'b . . . 106.0(5) ?
S20' C201 H201'c . . . 110.7(5) ?
H201a C201 H201b . . . 108.1(6) ?
H201a C201 H201c . . . 108.5(5) ?
H201a C201 H201'a . . . 43.3(2) ?
H201a C201 H201'b . . . 67.3(4) ?
H201a C201 H201'c . . . 120.8(6) ?
H201b C201 H201c . . . 108.2(5) ?
H201b C201 H201'a . . . 141.5(7) ?
H201b C201 H201'b . . . 44.3(3) ?
H201b C201 H201'c . . . 102.6(5) ?
H201c C201 H201'a . . . 106.3(6) ?
H201c C201 H201'b . . . 105.5(5) ?
H201c C201 H201'c . . . 12.40(8) ?
H201'a C201 H201'b . . . 109.5(6) ?
H201'a C201 H201'c . . . 114.4(6) ?
H201'b C201 H201'c . . . 109.7(5) ?
S20 C202 S20' . . . 43.6(2) ?
S20 C202 H202a . . . 113.0(5) ?
S20 C202 H202b . . . 115.2(6) ?
S20 C202 H202c . . . 111.7(5) ?
S20 C202 H202'a . . . 141.1(5) ?
S20 C202 H202'b . . . 71.2(4) ?
S20 C202 H202'c . . . 111.7(5) ?
S20' C202 H202a . . . 69.6(3) ?
S20' C202 H202b . . . 134.8(5) ?
S20' C202 H202c . . . 117.4(6) ?
S20' C202 H202'a . . . 107.4(5) ?
S20' C202 H202'b . . . 109.2(5) ?
S20' C202 H202'c . . . 117.4(6) ?
H202a C202 H202b . . . 106.2(6) ?
H202a C202 H202c . . . 102.2(7) ?
H202a C202 H202'a . . . 44.8(3) ?
H202a C202 H202'b . . . 144.9(7) ?
H202a C202 H202'c . . . 102.2(7) ?
H202b C202 H202c . . . 107.6(6) ?
H202b C202 H202'a . . . 62.7(4) ?
H202b C202 H202'b . . . 48.2(4) ?
H202b C202 H202'c . . . 107.6(6) ?
H202c C202 H202'a . . . 105.0(6) ?
H202c C202 H202'b . . . 108.5(6) ?
H202c C202 H202'c . . . .00000 ?
H202'a C202 H202'b . . . 109.0(7) ?
H202'a C202 H202'c . . . 105.0(6) ?
H202'b C202 H202'c . . . 108.5(6) ?
O30 C30 C301 . . . 123.6(6) ?
O30 C30 C302 . . . 118.1(7) ?
C301 C30 C302 . . . 118.3(6) ?
C30 C301 H301a . . . 112.0(6) ?
C30 C301 H301b . . . 112.0(6) ?
C30 C301 H301c . . . 110.4(6) ?
H301a C301 H301b . . . 108.3(7) ?
H301a C301 H301c . . . 107.1(6) ?
H301b C301 H301c . . . 106.8(6) ?
C30 C302 H302a . . . 110.6(9) ?
C30 C302 H302b . . . 114.9(9) ?
C30 C302 H302c . . . 111.2(9) ?
H302a C302 H302b . . . 107.6(10) ?
H302a C302 H302c . . . 104.5(10) ?
H302b C302 H302c . . . 107.5(11) ?
O40 C40 C401 . . . 117.0(14) ?
O40 C40 C402 . . . 119.1(14) ?
C401 C40 C402 . . . 123.5(15) ?
C40 C401 H401a . . . 106.7(15) ?
C40 C401 H401b . . . 106.3(13) ?
C40 C401 H401c . . . 108(2) ?
H401a C401 H401b . . . 113(2) ?
H401a C401 H401c . . . 107.7(14) ?
H401b C401 H401c . . . 114.7(18) ?
C40 C402 H402a . . . 112.9(18) ?
C40 C402 H402b . . . 114.0(17) ?
C40 C402 H402c . . . 112.1(17) ?
H402a C402 H402b . . . 106(2) ?
H402a C402 H402c . . . 106.1(18) ?
H402b C402 H402c . . . 105(2) ?
C50 O50 C501 . . . 39.2(8) ?
O50 C50 C501 . . . 111.5(12) ?
O50 C50 C502 . . . 126.3(11) ?
C501 C50 C502 . . . 119.2(10) ?
O50 C501 C50 . . . 29.2(6) ?
O50 C501 H501a . . . 81.4(8) ?
O50 C501 H501b . . . 100.0(9) ?
O50 C501 H501c . . . 140.5(13) ?
C50 C501 H501a . . . 107.6(10) ?
C50 C501 H501b . . . 103.5(11) ?
C50 C501 H501c . . . 113.6(13) ?
H501a C501 H501b . . . 107.8(14) ?
H501a C501 H501c . . . 118.6(13) ?
H501b C501 H501c . . . 104.6(12) ?
C50 C502 H502a . . . 112.7(12) ?
C50 C502 H502b . . . 111.8(11) ?
C50 C502 H502c . . . 107.6(16) ?
H502a C502 H502b . . . 112(2) ?
H502a C502 H502c . . . 107.4(12) ?
H502b C502 H502c . . . 105.1(13) ?
O60 C60 C601 . . . 120.7(7) ?
O60 C60 C602 . . . 124.1(7) ?
C601 C60 C602 . . . 114.9(7) ?
C60 C601 H601a . . . 109.7(12) ?
C60 C601 H601b . . . 108.9(10) ?
C60 C601 H601c . . . 106.3(11) ?
H601a C601 H601b . . . 114.6(15) ?
H601a C601 H601c . . . 109.1(11) ?
H601b C601 H601c . . . 108.0(14) ?
C60 C602 H602a . . . 108.7(9) ?
C60 C602 H602b . . . 112.0(9) ?
C60 C602 H602c . . . 109.6(9) ?
H602a C602 H602b . . . 108.3(10) ?
H602a C602 H602c . . . 105.9(10) ?
H602b C602 H602c . . . 112.0(11) ?
O70 C70 C701 . . . 121.1(5) ?
O70 C70 C702 . . . 121.4(5) ?
C701 C70 C702 . . . 117.4(5) ?
C70 C701 H701a . . . 108.9(5) ?
C70 C701 H701b . . . 108.5(4) ?
C70 C701 H701c . . . 110.5(5) ?
H701a C701 H701b . . . 109.1(5) ?
H701a C701 H701c . . . 109.0(5) ?
H701b C701 H701c . . . 110.8(5) ?
C70 C702 H702a . . . 111.5(5) ?
C70 C702 H702b . . . 110.8(6) ?
C70 C702 H702c . . . 111.3(6) ?
H702a C702 H702b . . . 107.3(6) ?
H702a C702 H702c . . . 108.0(6) ?
H702b C702 H702c . . . 107.7(6) ?
O80 C80 C801 . . . 115.7(8) ?
O80 C80 C802 . . . 125.7(10) ?
C801 C80 C802 . . . 118.5(9) ?
C80 C801 H801a . . . 111.5(9) ?
C80 C801 H801b . . . 114.6(9) ?
C80 C801 H801c . . . 114.0(9) ?
H801a C801 H801b . . . 104.7(10) ?
H801a C801 H801c . . . 104.7(9) ?
H801b C801 H801c . . . 106.5(10) ?
C80 C802 H802a . . . 110.7(11) ?
C80 C802 H802b . . . 114.1(11) ?
C80 C802 H802c . . . 109.6(8) ?
H802a C802 H802b . . . 108.3(9) ?
H802a C802 H802c . . . 108.8(11) ?
H802b C802 H802c . . . 105.2(12) ?
C90 O90 C90' . . . 63.6(10) ?
O90 C90 C901 . . . 127.4(11) ?
O90 C90 C902 . . . 115.7(10) ?
O90 C90 C90' . . . 65.3(10) ?
O90 C90 H901'a . . . 146.8(10) ?
C901 C90 C902 . . . 116.9(11) ?
C901 C90 C90' . . . 62.3(11) ?
C901 C90 H901'a . . . 40.2(5) ?
C902 C90 C90' . . . 175.3(13) ?
C902 C90 H901'a . . . 85.8(9) ?
C90' C90 H901'a . . . 91.4(10) ?
C90 C901 C90' . . . 55.0(9) ?
C90 C901 H901a . . . 111.2(12) ?
C90 C901 H901b . . . 108.5(9) ?
C90 C901 H901c . . . 110.1(8) ?
C90 C901 H901'a . . . 67.2(7) ?
C90 C901 H901'b . . . 84.7(8) ?
C90 C901 H901'c . . . 158.9(12) ?
C90' C901 H901a . . . 158.8(12) ?
C90' C901 H901b . . . 66.0(10) ?
C90' C901 H901c . . . 91.8(12) ?
C90' C901 H901'a . . . 106.2(10) ?
C90' C901 H901'b . . . 107.0(11) ?
C90' C901 H901'c . . . 110.1(14) ?
H901a C901 H901b . . . 109.8(8) ?
H901a C901 H901c . . . 108.9(10) ?
H901a C901 H901'a . . . 78.5(10) ?
H901a C901 H901'b . . . 52.8(7) ?
H901a C901 H901'c . . . 87.2(7) ?
H901b C901 H901c . . . 108.2(13) ?
H901b C901 H901'a . . . 171.7(13) ?
H901b C901 H901'b . . . 76.9(7) ?
H901b C901 H901'c . . . 72.7(8) ?
H901c C901 H901'a . . . 68.1(6) ?
H901c C901 H901'b . . . 160.8(12) ?
H901c C901 H901'c . . . 51.9(5) ?
H901'a C901 H901'b . . . 109.2(14) ?
H901'a C901 H901'c . . . 108.6(9) ?
H901'b C901 H901'c . . . 115.5(8) ?
C90 C902 H902a . . . 106.8(14) ?
C90 C902 H902b . . . 106.6(14) ?
C90 C902 H902c . . . 108.7(14) ?
H902a C902 H902b . . . 112.5(18) ?
H902a C902 H902c . . . 109.2(17) ?
H902b C902 H902c . . . 112.7(18) ?
O90 C90' C90 . . . 51.1(8) ?
O90 C90' C901 . . . 113.7(13) ?
O90 C90' C902' . . . 121.9(17) ?
O90 C90' H901b . . . 135.7(14) ?
C90 C90' C901 . . . 62.8(10) ?
C90 C90' C902' . . . 145.6(18) ?
C90 C90' H901b . . . 94.3(12) ?
C901 C90' C902' . . . 113.8(17) ?
C901 C90' H901b . . . 40.3(6) ?
C902' C90' H901b . . . 102.3(16) ?
C90' C902' H902'a . . . 104(3) ?
C90' C902' H902'b . . . 97(2) ?
C90' C902' H902'c . . . 108(3) ?
H902'a C902' H902'b . . . 106(3) ?
H902'a C902' H902'c . . . 127(4) ?
H902'b C902' H902'c . . . 111(3) ?
O31 H41 O41 . . . 172(4) ?
C101 H101a H101'a . . . 65.0(3) ?
C101 H101a H101'b . . . 59.2(3) ?
H101'a H101a H101'b . . . 122.141(14) ?
S10' H101b C101 . . . 81.8(5) ?
S10' H101b H101'b . . . 137.8(4) ?
C101 H101b H101'b . . . 64.0(3) ?
C101 H101c H101'c . . . 84.7(3) ?
C102 H102a H102'a . . . 66.8(3) ?
C102 H102b H102'b . . . 66.4(3) ?
C102 H102c H102'c . . . 82.8(3) ?
S10 H101'a C101 . . . 83.3(3) ?
S10 H101'a H101a . . . 138.74(4) ?
C101 H101'a H101a . . . 65.0(3) ?
C101 H101'b H101a . . . 60.2(3) ?
C101 H101'b H101b . . . 64.4(3) ?
H101a H101'b H101b . . . 120.324(7) ?
C101 H101'c H101c . . . 92.0(3) ?
S10 H102'a C102 . . . 79.1(3) ?
S10 H102'a H102a . . . 139.34(4) ?
C102 H102'a H102a . . . 67.1(3) ?
C102 H102'b H102b . . . 67.5(3) ?
C102 H102'c H102c . . . 84.0(3) ?
C201 H201a H201'a . . . 67.6(3) ?
S20' H201b C201 . . . 76.2(3) ?
S20' H201b H201'b . . . 131.53(11) ?
C201 H201b H201'b . . . 67.4(3) ?
C201 H201c H201'c . . . 83.3(3) ?
S20' H202a C202 . . . 76.6(4) ?
S20' H202a H202'a . . . 130.30(10) ?
C202 H202a H202'a . . . 66.6(4) ?
C202 H202b H202'b . . . 64.6(4) ?
C201 H201'a H201a . . . 69.1(3) ?
C201 H201'b H201b . . . 68.3(3) ?
C201 H201'c H201c . . . 84.3(3) ?
C202 H202'a H202a . . . 68.7(4) ?
S20 H202'b C202 . . . 74.8(4) ?
S20 H202'b H202b . . . 134.87(7) ?
C202 H202'b H202b . . . 67.2(4) ?
C901 H901a H901'b . . . 63.7(6) ?
C901 H901b C90' . . . 73.6(9) ?
C901 H901c H901'c . . . 62.5(5) ?
C90 H901'a C901 . . . 72.7(7) ?
C901 H901'b H901a . . . 63.5(7) ?
C901 H901'c H901c . . . 65.6(5) ?
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
Eu O11 . . 2.277(3) ?
Eu O21 . . 2.307(2) ?
Eu O31 . . 2.271(3) ?
Eu O10 . . 2.302(3) ?
Eu O20 . . 2.321(3) ?
Eu O21 . '3 675' 2.313(2) ?
O11 C11 . . 1.357(4) ?
C11 C12 . . 1.397(5) ?
C11 C16 . . 1.412(5) ?
C12 C13 . . 1.401(6) ?
C12 C2 . . 1.524(5) ?
C13 C14 . . 1.381(6) ?
C13 H13 . . .968(4) ?
C14 C141 . . 1.542(6) ?
C14 C15 . . 1.375(6) ?
C141 C142 . . 1.494(9) ?
C141 C143 . . 1.518(9) ?
C141 C144 . . 1.523(8) ?
C142 H142a . . .962(7) ?
C142 H142b . . .974(8) ?
C142 H142c . . .939(8) ?
C143 H143a . . .952(7) ?
C143 H143b . . .967(8) ?
C143 H143c . . .957(11) ?
C144 H144a . . .956(7) ?
C144 H144b . . .941(7) ?
C144 H144c . . .960(7) ?
C15 C16 . . 1.375(6) ?
C15 H15 . . .965(4) ?
C16 C1 . . 1.508(6) ?
C1 C92 . . 1.526(6) ?
C1 H1a . . .958(4) ?
C1 H1b . . .958(4) ?
O21 C21 . . 1.363(4) ?
C21 C22 . . 1.410(5) ?
C21 C26 . . 1.379(5) ?
C22 C23 . . 1.393(5) ?
C22 C3 . . 1.521(5) ?
C23 C24 . . 1.402(5) ?
C23 H23 . . .962(4) ?
C24 C241 . . 1.524(6) ?
C24 C25 . . 1.403(6) ?
C241 C242 . . 1.533(8) ?
C241 C243 . . 1.511(7) ?
C241 C244 . . 1.481(8) ?
C242 H242a . . .956(6) ?
C242 H242b . . .955(6) ?
C242 H242c . . .964(8) ?
C243 H243a . . .951(5) ?
C243 H243b . . .965(6) ?
C243 H243c . . .967(6) ?
C244 H244a . . .956(5) ?
C244 H244b . . .962(8) ?
C244 H244c . . .955(7) ?
C25 C26 . . 1.385(5) ?
C25 H25 . . .958(4) ?
C26 C2 . . 1.535(5) ?
C2 H2a . . .959(4) ?
C2 H2b . . .957(4) ?
O31 C31 . . 1.356(4) ?
O31 H41 . . 1.67(4) ?
C31 C32 . . 1.401(5) ?
C31 C36 . . 1.405(5) ?
C32 C33 . . 1.382(6) ?
C32 C4 . . 1.519(5) ?
C33 C34 . . 1.383(6) ?
C33 H33 . . .965(4) ?
C34 C341 . . 1.544(6) ?
C34 C35 . . 1.394(6) ?
C341 C342 . . 1.494(8) ?
C341 C343 . . 1.536(7) ?
C341 C344 . . 1.519(7) ?
C342 H342a . . .957(7) ?
C342 H342b . . .952(7) ?
C342 H342c . . .968(6) ?
C343 H343a . . .952(5) ?
C343 H343b . . .948(5) ?
C343 H343c . . .977(6) ?
C344 H344a . . .950(5) ?
C344 H344b . . .969(6) ?
C344 H344c . . .951(5) ?
C35 C36 . . 1.393(6) ?
C35 H35 . . .967(4) ?
C36 C3 . . 1.495(5) ?
C3 H3a . . .954(4) ?
C3 H3b . . .961(4) ?
O41 C41 . . 1.376(5) ?
O41 H41 . . .93(4) ?
C41 C42 . . 1.400(5) ?
C41 C46 . . 1.391(5) ?
C42 C43 . . 1.395(6) ?
C42 C5 . . 1.504(5) ?
C43 C44 . . 1.387(6) ?
C43 H43 . . .963(4) ?
C44 C441 . . 1.515(6) ?
C44 C45 . . 1.397(6) ?
C441 C442 . . 1.464(8) ?
C441 C443 . . 1.513(9) ?
C441 C444 . . 1.569(9) ?
C442 H442a . . .958(6) ?
C442 H442b . . .946(8) ?
C442 H442c . . .984(9) ?
C443 H443a . . .953(6) ?
C443 H443b . . .950(8) ?
C443 H443c . . .965(7) ?
C444 H444a . . .950(6) ?
C444 H444b . . .988(8) ?
C444 H444c . . .932(7) ?
C45 C46 . . 1.387(6) ?
C45 H45 . . .962(4) ?
C46 C4 . . 1.515(5) ?
C4 H4a . . .960(4) ?
C4 H4b . . .961(4) ?
O51 C51 . . 1.375(5) ?
O51 H51 . . .78(4) ?
C51 C52 . . 1.386(6) ?
C51 C56 . . 1.391(6) ?
C52 C53 . . 1.396(6) ?
C52 C6 . . 1.500(6) ?
C53 C54 . . 1.395(6) ?
C53 H53 . . .962(4) ?
C54 C541 . . 1.527(6) ?
C54 C55 . . 1.393(6) ?
C541 C542 . . 1.534(7) ?
C541 C543 . . 1.541(7) ?
C541 C544 . . 1.520(7) ?
C542 H542a . . .950(6) ?
C542 H542b . . .969(6) ?
C542 H542c . . .949(6) ?
C543 H543a . . .945(6) ?
C543 H543b . . .963(6) ?
C543 H543c . . .960(6) ?
C544 H544a . . .959(6) ?
C544 H544b . . .953(6) ?
C544 H544c . . .953(5) ?
C55 C56 . . 1.394(6) ?
C55 H55 . . .963(4) ?
C56 C5 . . 1.516(5) ?
C5 H5a . . .956(4) ?
C5 H5b . . .966(4) ?
O61 C61 . . 1.360(5) ?
O61 H61 . . .75(4) ?
C61 C62 . . 1.385(6) ?
C61 C66 . . 1.413(6) ?
C62 C63 . . 1.389(6) ?
C62 C7 . . 1.516(6) ?
C63 C64 . . 1.394(6) ?
C63 H63 . . .962(4) ?
C64 C641 . . 1.524(6) ?
C64 C65 . . 1.390(6) ?
C641 C642 . . 1.531(7) ?
C641 C643 . . 1.530(7) ?
C641 C644 . . 1.532(6) ?
C642 H642a . . .959(5) ?
C642 H642b . . .954(5) ?
C642 H642c . . .959(5) ?
C643 H643a . . .958(5) ?
C643 H643b . . .952(5) ?
C643 H643c . . .958(5) ?
C644 H644a . . .956(5) ?
C644 H644b . . .960(5) ?
C644 H644c . . .953(5) ?
C65 C66 . . 1.385(6) ?
C65 H65 . . .965(4) ?
C66 C6 . . 1.506(6) ?
C6 H6a . . .966(4) ?
C6 H6b . . .958(4) ?
O71 C71 . . 1.380(5) ?
O71 H71 . . .60(4) ?
C71 C72 . . 1.388(6) ?
C71 C76 . . 1.392(6) ?
C72 C73 . . 1.380(6) ?
C72 C8 . . 1.530(6) ?
C73 C74 . . 1.397(6) ?
C73 H73 . . .961(4) ?
C74 C741 . . 1.534(7) ?
C74 C75 . . 1.397(6) ?
C741 C742 . . 1.521(9) ?
C741 C743 . . 1.514(8) ?
C741 C744 . . 1.510(10) ?
C742 H742a . . .957(7) ?
C742 H742b . . .989(7) ?
C742 H742c . . .951(7) ?
C743 H743a . . .958(6) ?
C743 H743b . . .952(7) ?
C743 H743c . . .962(7) ?
C744 H744a . . .961(8) ?
C744 H744b . . .950(7) ?
C744 H744c . . .961(9) ?
C75 C76 . . 1.384(6) ?
C75 H75 . . .963(4) ?
C76 C7 . . 1.521(6) ?
C7 H7a . . .961(4) ?
C7 H7b . . .954(4) ?
O81 C81 . . 1.379(5) ?
O81 H81 . . .75(4) ?
C81 C82 . . 1.386(6) ?
C81 C86 . . 1.389(6) ?
C82 C83 . . 1.388(6) ?
C82 C9 . . 1.521(6) ?
C83 C84 . . 1.385(6) ?
C83 H83 . . .969(4) ?
C84 C841 . . 1.530(6) ?
C84 C85 . . 1.379(6) ?
C841 C842 . . 1.540(7) ?
C841 C843 . . 1.524(7) ?
C841 C844 . . 1.544(7) ?
C842 H842a . . .941(5) ?
C842 H842b . . .959(6) ?
C842 H842c . . .961(6) ?
C843 H843a . . .960(5) ?
C843 H843b . . .943(5) ?
C843 H843c . . .962(6) ?
C844 H844a . . .945(5) ?
C844 H844b . . .958(6) ?
C844 H844c . . .957(5) ?
C85 C86 . . 1.407(6) ?
C85 H85 . . .973(4) ?
C86 C8 . . 1.495(6) ?
C8 H8a . . .966(4) ?
C8 H8b . . .956(4) ?
O91 C91 . . 1.374(5) ?
O91 H91 . . .72(5) ?
C91 C92 . . 1.399(6) ?
C91 C96 . . 1.380(6) ?
C92 C93 . . 1.388(6) ?
C93 C94 . . 1.387(6) ?
C93 H93 . . .967(4) ?
C94 C941 . . 1.528(6) ?
C94 C95 . . 1.391(6) ?
C941 C942 . . 1.538(8) ?
C941 C943 . . 1.523(8) ?
C941 C944 . . 1.534(8) ?
C942 H942a . . .961(6) ?
C942 H942b . . .959(7) ?
C942 H942c . . .953(7) ?
C943 H943a . . .945(6) ?
C943 H943b . . .947(7) ?
C943 H943c . . .964(8) ?
C944 H944a . . .952(5) ?
C944 H944b . . .956(6) ?
C944 H944c . . .953(5) ?
C95 C96 . . 1.392(6) ?
C95 H95 . . .966(4) ?
C96 C9 . . 1.528(6) ?
C9 H9a . . .950(4) ?
C9 H9b . . .957(4) ?
O10 S10 . . 1.529(3) ?
O10 S10' . . 1.567(9) ?
S10 S10' . . 1.407(9) ?
S10 C101 . . 1.749(6) ?
S10 C102 . . 1.774(5) ?
S10 H101'a . . 1.5786(12) ?
S10 H102'a . . 1.6872(13) ?
S10' C101 . . 1.584(11) ?
S10' C102 . . 1.849(11) ?
S10' H101b . . 1.409(9) ?
C101 H101a . . .957(5) ?
C101 H101b . . .951(5) ?
C101 H101c . . .962(5) ?
C101 H101'a . . .958(6) ?
C101 H101'b . . .948(5) ?
C101 H101'c . . .958(5) ?
C102 H102a . . .958(5) ?
C102 H102b . . .952(5) ?
C102 H102c . . .953(5) ?
C102 H102'a . . .955(5) ?
C102 H102'b . . .945(5) ?
C102 H102'c . . .951(5) ?
O20 S20 . . 1.578(4) ?
O20 S20' . . 1.521(4) ?
S20 S20' . . 1.245(3) ?
S20 C201 . . 1.784(6) ?
S20 C202 . . 1.603(7) ?
S20 H202'b . . 1.5721(18) ?
S20' C201 . . 1.594(6) ?
S20' C202 . . 1.730(7) ?
S20' H201b . . 1.522(3) ?
S20' H202a . . 1.667(3) ?
C201 H201a . . .956(6) ?
C201 H201b . . .961(6) ?
C201 H201c . . .954(6) ?
C201 H201'a . . .945(5) ?
C201 H201'b . . .955(6) ?
C201 H201'c . . .953(6) ?
C202 H202a . . .989(7) ?
C202 H202b . . .951(7) ?
C202 H202c . . .965(6) ?
C202 H202'a . . .974(7) ?
C202 H202'b . . .931(7) ?
C202 H202'c . . .965(6) ?
O30 C30 . . 1.216(8) ?
C30 C301 . . 1.447(10) ?
C30 C302 . . 1.495(12) ?
C301 H301a . . .947(7) ?
C301 H301b . . .966(7) ?
C301 H301c . . .964(7) ?
C302 H302a . . .990(11) ?
C302 H302b . . .932(10) ?
C302 H302c . . .969(11) ?
O40 C40 . . 1.291(16) ?
C40 C401 . . 1.41(2) ?
C40 C402 . . 1.58(2) ?
C401 H401a . . .953(18) ?
C401 H401b . . .91(2) ?
C401 H401c . . .976(18) ?
C402 H402a . . .98(2) ?
C402 H402b . . .96(2) ?
C402 H402c . . .95(2) ?
O50 C50 . . 1.111(14) ?
O50 C501 . . 2.116(15) ?
C50 C501 . . 1.438(16) ?
C50 C502 . . 1.396(17) ?
C501 H501a . . .916(14) ?
C501 H501b . . 1.003(15) ?
C501 H501c . . .976(12) ?
C502 H502a . . .924(17) ?
C502 H502b . . .949(13) ?
C502 H502c . . .999(17) ?
O60 C60 . . 1.168(7) ?
C60 C601 . . 1.527(15) ?
C60 C602 . . 1.477(13) ?
C601 H601a . . .915(15) ?
C601 H601b . . .928(13) ?
C601 H601c . . .990(12) ?
C602 H602a . . .989(10) ?
C602 H602b . . .925(11) ?
C602 H602c . . .945(10) ?
O70 C70 . . 1.212(7) ?
C70 C701 . . 1.477(7) ?
C70 C702 . . 1.473(8) ?
C701 H701a . . .951(5) ?
C701 H701b . . .953(5) ?
C701 H701c . . .960(5) ?
C702 H702a . . .959(6) ?
C702 H702b . . .967(6) ?
C702 H702c . . .954(6) ?
O80 C80 . . 1.224(11) ?
C80 C801 . . 1.543(15) ?
C80 C802 . . 1.430(14) ?
C801 H801a . . .992(10) ?
C801 H801b . . .966(10) ?
C801 H801c . . .967(10) ?
C802 H802a . . .948(11) ?
C802 H802b . . .966(12) ?
C802 H802c . . .955(12) ?
O90 C90 . . 1.146(11) ?
O90 C90' . . 1.339(18) ?
C90 C901 . . 1.434(13) ?
C90 C902 . . 1.59(2) ?
C90 C90' . . 1.32(2) ?
C90 H901'a . . 1.384(9) ?
C901 C90' . . 1.43(2) ?
C901 H901a . . .934(12) ?
C901 H901b . . .962(11) ?
C901 H901c . . .977(10) ?
C901 H901'a . . .969(11) ?
C901 H901'b . . .935(11) ?
C901 H901'c . . .951(10) ?
C902 H902a . . .934(18) ?
C902 H902b . . .932(18) ?
C902 H902c . . .978(18) ?
C90' C902' . . 1.53(4) ?
C90' H901b . . 1.359(17) ?
C902' H902'a . . .90(3) ?
C902' H902'b . . 1.04(3) ?
C902' H902'c . . .84(3) ?
H101a H101'a . . .80988(13) ?
H101a H101'b . . .96075(15) ?
H101b H101'b . . .82591(16) ?
H101c H101'c . . .054789(10) ?
H102a H102'a . . .74953(14) ?
H102b H102'b . . .74296(11) ?
H102c H102'c . . .21920(3) ?
H201a H201'a . . .70124(9) ?
H201b H201'b . . .72193(14) ?
H201c H201'c . . .20599(4) ?
H202a H202'a . . .74727(9) ?
H202b H202'b . . .76906(13) ?
H901a H901'b . . .83145(17) ?
H901c H901'c . . .84322(17) ?
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
Eu Eu 3.8223(7) . '3 675' ?
Eu C11 3.262(4) . . ?
Eu C21 3.180(4) . . ?
Eu C21 3.362(4) . '3 675' ?
Eu C31 3.299(4) . . ?
Eu S10 3.6659(14) . . ?
Eu S20 3.7144(19) . . ?
Eu H41 3.38(4) . . ?
O11 C12 2.398(5) . . ?
O11 C16 2.401(4) . . ?
O11 C1 2.862(5) . . ?
O11 C2 2.919(4) . . ?
O11 O91 2.638(4) . . ?
O11 O20 2.997(4) . . ?
O11 H1a 2.510(2) . . ?
O11 H2a 2.530(2) . . ?
O11 H91 1.92(5) . . ?
C11 C13 2.409(6) . . ?
C11 C14 2.829(6) . . ?
C11 C15 2.408(6) . . ?
C11 C1 2.533(5) . . ?
C11 C2 2.561(5) . . ?
C11 H1a 2.627(4) . . ?
C11 H2a 2.623(4) . . ?
C11 H91 2.68(5) . . ?
C12 C14 2.445(6) . . ?
C12 C15 2.760(5) . . ?
C12 C16 2.416(5) . . ?
C12 C26 2.537(5) . . ?
C12 H13 2.042(4) . . ?
C12 H2a 2.047(4) . . ?
C12 H2b 2.051(4) . . ?
C13 C141 2.563(6) . . ?
C13 C143 2.863(8) . . ?
C13 C15 2.344(6) . . ?
C13 C16 2.751(6) . . ?
C13 C2 2.516(6) . . ?
C13 H2b 2.651(4) . . ?
C14 C142 2.485(8) . . ?
C14 C143 2.535(7) . . ?
C14 C144 2.502(8) . . ?
C14 C16 2.422(6) . . ?
C14 H13 2.035(4) . . ?
C14 H142b 2.677(4) . . ?
C14 H142c 2.676(4) . . ?
C14 H144b 2.682(4) . . ?
C14 H144c 2.678(4) . . ?
C14 H15 2.020(4) . . ?
C141 C15 2.541(6) . . ?
C141 H142a 2.048(5) . . ?
C141 H142b 2.041(5) . . ?
C141 H142c 2.037(6) . . ?
C141 H143a 2.069(5) . . ?
C141 H143b 2.058(5) . . ?
C141 H143c 2.066(5) . . ?
C141 H144a 2.056(5) . . ?
C141 H144b 2.053(5) . . ?
C141 H144c 2.049(5) . . ?
C141 H15 2.669(5) . . ?
C142 C143 2.492(12) . . ?
C142 C144 2.445(11) . . ?
C142 C15 2.969(8) . . ?
C142 H143a 2.683(7) . . ?
C142 H144a 2.626(8) . . ?
C142 H144c 2.611(8) . . ?
C143 C144 2.426(10) . . ?
C143 H13 2.469(8) . . ?
C143 H142a 2.678(10) . . ?
C143 H144a 2.600(8) . . ?
C143 H144b 2.610(8) . . ?
C144 H142a 2.634(7) . . ?
C144 H142b 2.614(7) . . ?
C144 H143a 2.628(7) . . ?
C144 H143c 2.615(7) . . ?
C15 C1 2.500(6) . . ?
C15 H142b 2.689(4) . . ?
C15 H1b 2.617(4) . . ?
C15 H201'a 2.688(4) . . ?
C16 C92 2.467(6) . . ?
C16 H15 2.021(4) . . ?
C16 H1a 2.044(4) . . ?
C16 H1b 2.048(4) . . ?
C16 H201'a 2.676(4) . . ?
C1 O91 2.904(5) . . ?
C1 C91 2.544(6) . . ?
C1 C93 2.531(6) . . ?
C1 H15 2.632(4) . . ?
C1 H91 2.63(5) . . ?
C1 H93 2.679(4) . . ?
O21 O21 2.594(3) . '3 675' ?
O21 C22 2.391(4) . . ?
O21 C26 2.383(4) . . ?
O21 C2 2.869(4) . . ?
O21 C3 2.885(4) . . ?
O21 H2a 2.447(2) . . ?
O21 H3a 2.469(2) . . ?
C21 C23 2.408(5) . . ?
C21 C24 2.816(5) . . ?
C21 C25 2.394(5) . . ?
C21 C2 2.535(5) . . ?
C21 C3 2.563(5) . . ?
C21 H2a 2.588(4) . . ?
C21 H3a 2.617(4) . . ?
C22 C24 2.449(5) . . ?
C22 C25 2.783(5) . . ?
C22 C26 2.418(5) . . ?
C22 C36 2.498(5) . . ?
C22 H23 2.041(4) . . ?
C22 H3a 2.038(4) . . ?
C22 H3b 2.044(4) . . ?
C23 C241 2.537(6) . . ?
C23 C25 2.389(6) . . ?
C23 C26 2.769(5) . . ?
C23 C3 2.519(5) . . ?
C23 H3b 2.653(4) . . ?
C24 C242 2.477(7) . . ?
C24 C243 2.533(6) . . ?
C24 C244 2.479(7) . . ?
C24 C26 2.437(5) . . ?
C24 H23 2.044(4) . . ?
C24 H242b 2.666(4) . . ?
C24 H242c 2.665(4) . . ?
C24 H244b 2.674(4) . . ?
C24 H244c 2.672(4) . . ?
C24 H25 2.039(4) . . ?
C241 C25 2.572(6) . . ?
C241 H23 2.671(4) . . ?
C241 H242a 2.079(4) . . ?
C241 H242b 2.075(5) . . ?
C241 H242c 2.075(5) . . ?
C241 H243a 2.068(4) . . ?
C241 H243b 2.063(5) . . ?
C241 H243c 2.061(5) . . ?
C241 H244a 2.032(5) . . ?
C241 H244b 2.025(5) . . ?
C241 H244c 2.028(5) . . ?
C242 C243 2.416(9) . . ?
C242 C244 2.456(10) . . ?
C242 H243a 2.624(6) . . ?
C242 H243b 2.592(7) . . ?
C242 H244a 2.656(8) . . ?
C242 H244c 2.648(8) . . ?
C243 C244 2.448(9) . . ?
C243 C25 2.889(6) . . ?
C243 H242a 2.592(6) . . ?
C243 H242c 2.603(6) . . ?
C243 H244a 2.606(6) . . ?
C243 H244b 2.679(6) . . ?
C243 H25 2.498(5) . . ?
C244 H242a 2.659(7) . . ?
C244 H242b 2.672(7) . . ?
C244 H243a 2.637(6) . . ?
C244 H243c 2.691(8) . . ?
C25 C2 2.519(5) . . ?
C25 H2b 2.662(4) . . ?
C26 H25 2.039(4) . . ?
C26 H2a 2.053(4) . . ?
C26 H2b 2.063(4) . . ?
C2 H13 2.631(4) . . ?
C2 H25 2.660(4) . . ?
O31 C32 2.387(5) . . ?
O31 C36 2.406(4) . . ?
O31 C3 2.903(4) . . ?
O31 O41 2.591(4) . . ?
O31 C4 2.847(5) . . ?
O31 O20 2.977(4) . . ?
O31 H3a 2.540(2) . . ?
O31 H4b 2.472(3) . . ?
C31 C33 2.418(5) . . ?
C31 C34 2.832(6) . . ?
C31 C35 2.402(5) . . ?
C31 C3 2.536(5) . . ?
C31 C4 2.533(5) . . ?
C31 H3a 2.620(4) . . ?
C31 H41 2.43(4) . . ?
C31 H4b 2.612(4) . . ?
C32 C34 2.420(6) . . ?
C32 C35 2.741(5) . . ?
C32 C36 2.415(5) . . ?
C32 C46 2.481(5) . . ?
C32 H33 2.030(4) . . ?
C32 H4a 2.058(4) . . ?
C32 H4b 2.056(4) . . ?
C33 C341 2.558(6) . . ?
C33 C344 2.932(7) . . ?
C33 C35 2.362(6) . . ?
C33 C36 2.782(5) . . ?
C33 C4 2.501(6) . . ?
C33 H344b 2.675(4) . . ?
C33 H4a 2.637(4) . . ?
C34 C342 2.532(8) . . ?
C34 C343 2.465(6) . . ?
C34 C344 2.524(7) . . ?
C34 C36 2.456(6) . . ?
C34 H33 2.035(4) . . ?
C34 H343b 2.644(4) . . ?
C34 H343c 2.640(4) . . ?
C34 H35 2.035(4) . . ?
C341 C35 2.568(6) . . ?
C341 H342a 2.042(5) . . ?
C341 H342b 2.043(5) . . ?
C341 H342c 2.042(5) . . ?
C341 H343a 2.083(5) . . ?
C341 H343b 2.083(5) . . ?
C341 H343c 2.078(5) . . ?
C341 H344a 2.062(4) . . ?
C341 H344b 2.057(4) . . ?
C341 H344c 2.062(5) . . ?
C342 C343 2.465(9) . . ?
C342 C344 2.457(8) . . ?
C342 C35 2.917(8) . . ?
C342 H343a 2.668(6) . . ?
C342 H343b 2.697(7) . . ?
C342 H344a 2.628(6) . . ?
C342 H35 2.545(6) . . ?
C343 C344 2.479(8) . . ?
C343 H342a 2.670(6) . . ?
C343 H342c 2.631(6) . . ?
C343 H344a 2.693(6) . . ?
C343 H344b 2.626(5) . . ?
C344 H33 2.620(6) . . ?
C344 H342a 2.628(5) . . ?
C344 H342b 2.692(5) . . ?
C344 H343a 2.676(5) . . ?
C344 H343c 2.656(6) . . ?
C35 C3 2.497(6) . . ?
C35 H3b 2.613(4) . . ?
C36 H35 2.039(4) . . ?
C36 H3a 2.027(4) . . ?
C36 H3b 2.030(4) . . ?
C3 H23 2.657(4) . . ?
C3 H35 2.634(4) . . ?
O41 C42 2.361(5) . . ?
O41 C46 2.428(5) . . ?
O41 C4 2.924(5) . . ?
O41 O51 2.823(4) . . ?
O41 C5 2.805(5) . . ?
O41 H4b 2.680(3) . . ?
O41 H51 2.09(4) . . ?
O41 H5a 2.395(3) . . ?
C41 C43 2.392(6) . . ?
C41 C44 2.814(6) . . ?
C41 C45 2.392(6) . . ?
C41 C4 2.529(5) . . ?
C41 C5 2.536(5) . . ?
C41 H41 1.99(4) . . ?
C41 H4b 2.688(4) . . ?
C41 H5a 2.598(4) . . ?
C42 C44 2.451(6) . . ?
C42 C45 2.779(5) . . ?
C42 C46 2.427(5) . . ?
C42 C56 2.504(5) . . ?
C42 H43 2.038(4) . . ?
C42 H5a 2.038(4) . . ?
C42 H5b 2.038(4) . . ?
C43 C441 2.522(6) . . ?
C43 C45 2.366(6) . . ?
C43 C46 2.762(6) . . ?
C43 C5 2.519(6) . . ?
C43 H5b 2.677(4) . . ?
C44 C442 2.461(7) . . ?
C44 C443 2.506(7) . . ?
C44 C444 2.499(8) . . ?
C44 C46 2.443(6) . . ?
C44 H43 2.026(4) . . ?
C44 H442b 2.665(4) . . ?
C44 H442c 2.661(4) . . ?
C44 H443b 2.698(4) . . ?
C44 H443c 2.698(4) . . ?
C44 H444b 2.678(4) . . ?
C44 H444c 2.683(4) . . ?
C44 H45 2.039(4) . . ?
C441 C45 2.561(6) . . ?
C441 H43 2.650(5) . . ?
C441 H442a 2.032(5) . . ?
C441 H442b 2.022(5) . . ?
C441 H442c 2.022(5) . . ?
C441 H443a 2.058(5) . . ?
C441 H443b 2.048(5) . . ?
C441 H443c 2.051(5) . . ?
C441 H444a 2.109(5) . . ?
C441 H444b 2.102(5) . . ?
C441 H444c 2.099(5) . . ?
C442 C443 2.472(10) . . ?
C442 C444 2.450(11) . . ?
C442 H443a 2.655(6) . . ?
C442 H444a 2.673(8) . . ?
C442 H444c 2.672(9) . . ?
C443 C444 2.448(11) . . ?
C443 C45 2.848(7) . . ?
C443 H442a 2.644(7) . . ?
C443 H444a 2.621(8) . . ?
C443 H444b 2.605(8) . . ?
C443 H45 2.458(6) . . ?
C444 H442a 2.673(8) . . ?
C444 H442b 2.644(8) . . ?
C444 H443a 2.638(7) . . ?
C444 H443c 2.587(8) . . ?
C45 C4 2.511(6) . . ?
C45 H4a 2.581(4) . . ?
C46 H41 2.64(4) . . ?
C46 H45 2.034(4) . . ?
C46 H4a 2.049(4) . . ?
C46 H4b 2.045(4) . . ?
C4 H33 2.629(4) . . ?
C4 H41 2.63(4) . . ?
C4 H45 2.650(4) . . ?
O51 C52 2.344(5) . . ?
O51 C56 2.427(5) . . ?
O51 C5 2.923(5) . . ?
O51 C6 2.759(5) . . ?
O51 H5a 2.686(3) . . ?
O51 H6a 2.436(3) . . ?
C51 C53 2.389(6) . . ?
C51 C54 2.809(6) . . ?
C51 C55 2.396(6) . . ?
C51 C5 2.533(6) . . ?
C51 C6 2.507(6) . . ?
C51 H51 1.75(4) . . ?
C51 H5a 2.677(4) . . ?
C51 H6a 2.619(4) . . ?
C52 C54 2.450(6) . . ?
C52 C55 2.777(6) . . ?
C52 C56 2.418(6) . . ?
C52 C65 2.845(5) . . ?
C52 C66 2.513(6) . . ?
C52 H53 2.045(4) . . ?
C52 H65 2.448(4) . . ?
C52 H6a 2.027(4) . . ?
C52 H6b 2.029(4) . . ?
C53 C541 2.581(6) . . ?
C53 C544 2.890(7) . . ?
C53 C55 2.373(6) . . ?
C53 C56 2.767(6) . . ?
C53 C6 2.517(6) . . ?
C53 H6b 2.614(4) . . ?
C54 C542 2.514(7) . . ?
C54 C543 2.498(7) . . ?
C54 C544 2.526(6) . . ?
C54 C56 2.443(6) . . ?
C54 H53 2.034(4) . . ?
C54 H543b 2.674(4) . . ?
C54 H543c 2.676(4) . . ?
C54 H55 2.038(4) . . ?
C541 C55 2.521(6) . . ?
C541 H542a 2.075(5) . . ?
C541 H542b 2.070(5) . . ?
C541 H542c 2.070(5) . . ?
C541 H543a 2.081(5) . . ?
C541 H543b 2.076(5) . . ?
C541 H543c 2.074(5) . . ?
C541 H544a 2.060(4) . . ?
C541 H544b 2.053(5) . . ?
C541 H544c 2.055(5) . . ?
C541 H55 2.646(4) . . ?
C542 C543 2.497(8) . . ?
C542 C544 2.487(8) . . ?
C542 H543a 2.687(6) . . ?
C542 H543b 2.690(6) . . ?
C542 H544a 2.655(6) . . ?
C542 H544c 2.691(6) . . ?
C543 C544 2.469(8) . . ?
C543 H542a 2.698(6) . . ?
C543 H542c 2.689(6) . . ?
C543 H544a 2.654(5) . . ?
C543 H544b 2.640(6) . . ?
C544 H53 2.504(6) . . ?
C544 H542a 2.655(6) . . ?
C544 H542b 2.695(6) . . ?
C544 H543a 2.655(6) . . ?
C544 H543c 2.666(5) . . ?
C55 C5 2.519(6) . . ?
C55 H5b 2.576(4) . . ?
C56 H51 2.38(4) . . ?
C56 H55 2.043(4) . . ?
C56 H5a 2.041(4) . . ?
C56 H5b 2.041(4) . . ?
C5 H43 2.659(4) . . ?
C5 H51 2.44(4) . . ?
C5 H55 2.660(4) . . ?
O61 C62 2.430(5) . . ?
O61 C66 2.335(5) . . ?
O61 C6 2.738(5) . . ?
O61 O71 2.799(4) . . ?
O61 C7 2.956(5) . . ?
O61 H6a 2.639(3) . . ?
O61 H6b 2.688(3) . . ?
C61 C63 2.387(6) . . ?
C61 C64 2.810(6) . . ?
C61 C65 2.396(6) . . ?
C61 C6 2.531(6) . . ?
C61 C7 2.533(6) . . ?
C61 H61 1.75(4) . . ?
C61 H7a 2.661(4) . . ?
C62 C64 2.443(6) . . ?
C62 C65 2.768(6) . . ?
C62 C66 2.432(6) . . ?
C62 C76 2.566(6) . . ?
C62 H61 2.43(4) . . ?
C62 H63 2.036(4) . . ?
C62 H7a 2.041(4) . . ?
C62 H7b 2.038(4) . . ?
C63 C641 2.571(6) . . ?
C63 C644 2.877(6) . . ?
C63 C65 2.367(5) . . ?
C63 C66 2.776(5) . . ?
C63 C7 2.513(6) . . ?
C63 H7b 2.565(4) . . ?
C64 C642 2.496(6) . . ?
C64 C643 2.498(6) . . ?
C64 C644 2.528(6) . . ?
C64 C66 2.442(6) . . ?
C64 H63 2.035(4) . . ?
C64 H642b 2.689(4) . . ?
C64 H642c 2.689(4) . . ?
C64 H643b 2.690(4) . . ?
C64 H643c 2.688(4) . . ?
C64 H65 2.031(4) . . ?
C641 C65 2.524(6) . . ?
C641 H642a 2.077(4) . . ?
C641 H642b 2.071(4) . . ?
C641 H642c 2.072(4) . . ?
C641 H643a 2.072(4) . . ?
C641 H643b 2.066(4) . . ?
C641 H643c 2.066(4) . . ?
C641 H644a 2.075(4) . . ?
C641 H644b 2.069(4) . . ?
C641 H644c 2.069(4) . . ?
C641 H65 2.648(4) . . ?
C642 C643 2.489(7) . . ?
C642 C644 2.476(7) . . ?
C642 C65 2.985(6) . . ?
C642 H643a 2.683(5) . . ?
C642 H643b 2.677(5) . . ?
C642 H644a 2.666(5) . . ?
C642 H644c 2.666(5) . . ?
C643 C644 2.495(7) . . ?
C643 H642a 2.683(5) . . ?
C643 H642c 2.678(5) . . ?
C643 H644a 2.677(5) . . ?
C643 H644b 2.693(5) . . ?
C644 H63 2.489(5) . . ?
C644 H642a 2.657(5) . . ?
C644 H642b 2.676(5) . . ?
C644 H643a 2.665(5) . . ?
C644 H643c 2.698(5) . . ?
C65 C6 2.529(6) . . ?
C66 H65 2.031(4) . . ?
C66 H6a 2.033(4) . . ?
C66 H6b 2.032(4) . . ?
C6 H53 2.669(4) . . ?
C6 H65 2.678(4) . . ?
O71 C72 2.433(5) . . ?
O71 C76 2.349(5) . . ?
O71 C7 2.783(5) . . ?
O71 C8 2.904(5) . . ?
O71 O90 2.753(5) . '1 565' ?
O71 H61 2.06(4) . . ?
O71 H7a 2.355(3) . . ?
C71 C73 2.381(6) . . ?
C71 C74 2.795(6) . . ?
C71 C75 2.387(6) . . ?
C71 C7 2.539(6) . . ?
C71 C8 2.525(6) . . ?
C71 H71 1.76(4) . . ?
C71 H7a 2.575(4) . . ?
C72 C74 2.433(6) . . ?
C72 C75 2.772(6) . . ?
C72 C76 2.421(6) . . ?
C72 C86 2.547(6) . . ?
C72 H71 2.52(4) . . ?
C72 H73 2.031(4) . . ?
C72 H8a 2.037(4) . . ?
C72 H8b 2.041(4) . . ?
C73 C741 2.552(7) . . ?
C73 C744 2.899(9) . . ?
C73 C75 2.383(6) . . ?
C73 C76 2.770(6) . . ?
C73 C86 2.882(6) . . ?
C73 C8 2.541(6) . . ?
C73 H744b 2.698(4) . . ?
C74 C742 2.483(8) . . ?
C74 C743 2.501(8) . . ?
C74 C744 2.540(10) . . ?
C74 C76 2.435(6) . . ?
C74 H73 2.038(4) . . ?
C74 H742b 2.683(5) . . ?
C74 H742c 2.682(5) . . ?
C74 H743b 2.693(4) . . ?
C74 H743c 2.694(4) . . ?
C74 H75 2.041(4) . . ?
C741 C75 2.564(7) . . ?
C741 H73 2.685(5) . . ?
C741 H742a 2.085(5) . . ?
C741 H742b 2.082(5) . . ?
C741 H742c 2.081(5) . . ?
C741 H743a 2.060(5) . . ?
C741 H743b 2.055(5) . . ?
C741 H743c 2.056(5) . . ?
C741 H744a 2.057(5) . . ?
C741 H744b 2.052(5) . . ?
C741 H744c 2.052(5) . . ?
C742 C743 2.458(10) . . ?
C742 C744 2.425(11) . . ?
C742 H743a 2.656(7) . . ?
C742 H743c 2.634(7) . . ?
C742 H744a 2.618(7) . . ?
C742 H744b 2.605(8) . . ?
C743 C744 2.479(10) . . ?
C743 C75 2.918(8) . . ?
C743 H742a 2.665(6) . . ?
C743 H742b 2.651(7) . . ?
C743 H744a 2.647(6) . . ?
C743 H744c 2.696(6) . . ?
C743 H75 2.610(7) . . ?
C744 H73 2.522(8) . . ?
C744 H742a 2.633(8) . . ?
C744 H742c 2.663(9) . . ?
C744 H743a 2.644(7) . . ?
C75 C7 2.520(6) . . ?
C75 H743c 2.662(4) . . ?
C75 H7b 2.630(4) . . ?
C76 H75 2.036(4) . . ?
C76 H7a 2.030(4) . . ?
C76 H7b 2.027(4) . . ?
C7 H61 2.55(4) . . ?
C7 H63 2.649(4) . . ?
C7 H75 2.663(4) . . ?
O81 C82 2.433(5) . . ?
O81 C86 2.352(5) . . ?
O81 C8 2.780(5) . . ?
O81 O91 2.804(4) . . ?
O81 C9 2.936(5) . . ?
O81 H8a 2.569(3) . . ?
O81 H9a 2.660(3) . . ?
O81 H101c 2.655(3) . . ?
O81 H101'c 2.669(3) . . ?
C81 C83 2.394(6) . . ?
C81 C84 2.806(6) . . ?
C81 C85 2.402(6) . . ?
C81 C8 2.516(6) . . ?
C81 C9 2.534(6) . . ?
C81 H73 2.659(4) . . ?
C81 H81 1.72(5) . . ?
C81 H8a 2.679(4) . . ?
C81 H9a 2.663(4) . . ?
C82 C84 2.430(6) . . ?
C82 C85 2.761(6) . . ?
C82 C86 2.409(6) . . ?
C82 C96 2.516(6) . . ?
C82 H81 2.37(5) . . ?
C82 H83 2.039(4) . . ?
C82 H9a 2.047(4) . . ?
C82 H9b 2.045(4) . . ?
C83 C841 2.523(6) . . ?
C83 C844 2.975(7) . . ?
C83 C85 2.361(6) . . ?
C83 C86 2.767(6) . . ?
C83 C9 2.513(6) . . ?
C83 H844b 2.685(4) . . ?
C83 H9b 2.580(4) . . ?
C84 C842 2.484(6) . . ?
C84 C843 2.535(7) . . ?
C84 C844 2.525(7) . . ?
C84 C86 2.441(6) . . ?
C84 H83 2.040(4) . . ?
C84 H842b 2.650(4) . . ?
C84 H842c 2.648(4) . . ?
C84 H85 2.041(4) . . ?
C841 C85 2.555(6) . . ?
C841 H83 2.660(4) . . ?
C841 H842a 2.077(4) . . ?
C841 H842b 2.064(5) . . ?
C841 H842c 2.070(5) . . ?
C841 H843a 2.066(4) . . ?
C841 H843b 2.061(5) . . ?
C841 H843c 2.053(5) . . ?
C841 H844a 2.078(5) . . ?
C841 H844b 2.071(5) . . ?
C841 H844c 2.073(5) . . ?
C842 C843 2.502(8) . . ?
C842 C844 2.510(8) . . ?
C842 H843a 2.690(6) . . ?
C842 H843c 2.663(6) . . ?
C842 H844b 2.679(6) . . ?
C843 C844 2.477(8) . . ?
C843 C85 2.885(7) . . ?
C843 H842a 2.687(5) . . ?
C843 H842b 2.699(6) . . ?
C843 H844a 2.644(6) . . ?
C843 H844c 2.680(6) . . ?
C843 H85 2.510(5) . . ?
C844 H842a 2.699(5) . . ?
C844 H842c 2.699(5) . . ?
C844 H843a 2.648(6) . . ?
C844 H843b 2.683(6) . . ?
C85 C8 2.516(6) . . ?
C85 H8b 2.565(4) . . ?
C86 H73 2.496(4) . . ?
C86 H85 2.055(4) . . ?
C86 H8a 2.030(4) . . ?
C86 H8b 2.028(4) . . ?
C8 H71 2.65(4) . . ?
C8 H73 2.692(4) . . ?
C8 H85 2.656(4) . . ?
O91 C92 2.417(5) . . ?
O91 C96 2.364(5) . . ?
O91 C9 2.826(5) . . ?
O91 H1a 2.579(3) . . ?
O91 H81 2.08(5) . . ?
O91 H9a 2.426(3) . . ?
O91 H701b 2.628(3) . . ?
C91 C93 2.393(6) . . ?
C91 C94 2.808(6) . . ?
C91 C95 2.392(6) . . ?
C91 C9 2.535(6) . . ?
C91 H1a 2.660(4) . . ?
C91 H91 1.75(5) . . ?
C91 H9a 2.593(4) . . ?
C92 C94 2.439(6) . . ?
C92 C95 2.770(6) . . ?
C92 C96 2.412(6) . . ?
C92 H1a 2.059(4) . . ?
C92 H1b 2.059(4) . . ?
C92 H91 2.48(5) . . ?
C92 H93 2.043(4) . . ?
C93 C941 2.563(6) . . ?
C93 C944 2.881(7) . . ?
C93 C95 2.365(6) . . ?
C93 C96 2.757(6) . . ?
C93 H1b 2.640(4) . . ?
C94 C942 2.512(8) . . ?
C94 C943 2.491(7) . . ?
C94 C944 2.533(7) . . ?
C94 C96 2.437(6) . . ?
C94 H93 2.028(4) . . ?
C94 H943b 2.668(4) . . ?
C94 H943c 2.662(4) . . ?
C94 H95 2.043(4) . . ?
C941 C95 2.533(6) . . ?
C941 H942a 2.083(5) . . ?
C941 H942b 2.078(5) . . ?
C941 H942c 2.081(5) . . ?
C941 H943a 2.050(4) . . ?
C941 H943b 2.049(5) . . ?
C941 H943c 2.054(5) . . ?
C941 H944a 2.066(5) . . ?
C941 H944b 2.069(5) . . ?
C941 H944c 2.061(5) . . ?
C941 H95 2.673(5) . . ?
C942 C943 2.514(10) . . ?
C942 C944 2.460(9) . . ?
C942 C95 2.971(8) . . ?
C942 H943a 2.698(6) . . ?
C942 H944a 2.639(6) . . ?
C942 H944c 2.623(6) . . ?
C943 C944 2.488(8) . . ?
C943 H944a 2.660(6) . . ?
C943 H944b 2.688(7) . . ?
C944 H93 2.486(5) . . ?
C944 H942a 2.634(6) . . ?
C944 H942b 2.646(6) . . ?
C944 H943a 2.640(5) . . ?
C944 H943c 2.685(6) . . ?
C95 C9 2.523(6) . . ?
C95 H9b 2.644(4) . . ?
C96 H95 2.041(4) . . ?
C96 H9a 2.046(4) . . ?
C96 H9b 2.048(4) . . ?
C9 H81 2.48(5) . . ?
C9 H83 2.644(4) . . ?
C9 H95 2.652(4) . . ?
O10 C101 2.602(6) . . ?
O10 C102 2.609(5) . . ?
O10 H102'a 2.473(3) . . ?
S10 H101a 2.2517(12) . . ?
S10 H101b 2.2513(13) . . ?
S10 H101c 2.2752(13) . . ?
S10 H102a 2.3081(13) . . ?
S10 H102b 2.3076(13) . . ?
S10 H102c 2.2809(13) . . ?
S10 H101'b 2.5548(13) . . ?
S10 H101'c 2.2433(13) . . ?
S10 H102'b 2.5922(13) . . ?
S10 H102'c 2.1892(13) . . ?
S10' H101a 2.370(9) . . ?
S10' H101c 2.153(9) . . ?
S10' H102a 2.570(9) . . ?
S10' H102b 1.709(9) . . ?
S10' H102c 2.505(9) . . ?
S10' H101'a 2.112(9) . . ?
S10' H101'b 2.095(9) . . ?
S10' H101'c 2.114(9) . . ?
S10' H102'a 2.307(9) . . ?
S10' H102'b 2.293(10) . . ?
S10' H102'c 2.356(9) . . ?
C101 C102 2.677(7) . . ?
C101 H102'c 2.653(5) . . ?
C102 H101b 2.660(5) . . ?
C102 H101'a 2.594(5) . . ?
O20 C201 2.589(6) . . ?
O20 C202 2.585(7) . . ?
O20 H201b 2.679(3) . . ?
O20 H201'a 2.530(3) . . ?
O20 H202'b 2.553(3) . . ?
S20 H201a 2.3008(18) . . ?
S20 H201b 2.3057(18) . . ?
S20 H201c 2.3022(18) . . ?
S20 H202a 2.1868(18) . . ?
S20 H202b 2.1837(18) . . ?
S20 H202c 2.1549(18) . . ?
S20 H201'a 1.7358(18) . . ?
S20 H201'b 2.6025(18) . . ?
S20 H201'c 2.2109(18) . . ?
S20 H202'a 2.4384(18) . . ?
S20 H202'c 2.1549(18) . . ?
S20' H201a 2.302(3) . . ?
S20' H201c 2.260(3) . . ?
S20' H202b 2.493(3) . . ?
S20' H202c 2.337(3) . . ?
S20' H201'a 2.069(3) . . ?
S20' H201'b 2.072(3) . . ?
S20' H201'c 2.126(3) . . ?
S20' H202'a 2.225(3) . . ?
S20' H202'b 2.219(3) . . ?
S20' H202'c 2.337(3) . . ?
C201 C202 2.685(9) . . ?
C202 H201'c 2.658(7) . . ?
O30 C301 2.350(9) . . ?
O30 C302 2.330(11) . . ?
O30 H301a 2.486(6) . . ?
O30 H302c 2.488(5) . . ?
O30 H402a 2.693(5) . '3 775' ?
C30 H301a 2.005(7) . . ?
C30 H301b 2.019(7) . . ?
C30 H301c 1.999(7) . . ?
C30 H302a 2.063(7) . . ?
C30 H302b 2.068(6) . . ?
C30 H302c 2.055(7) . . ?
C301 C302 2.526(13) . . ?
C301 H302b 2.640(7) . . ?
O40 C401 2.308(17) . . ?
O40 C402 2.48(2) . . ?
O40 H644b 2.691(8) . . ?
O40 H401b 2.279(9) . . ?
C40 H401a 1.919(15) . . ?
C40 H401b 1.882(16) . . ?
C40 H401c 1.950(14) . . ?
C40 H402a 2.158(15) . . ?
C40 H402b 2.157(17) . . ?
C40 H402c 2.131(14) . . ?
C401 C402 2.64(3) . . ?
O50 C502 2.240(18) . . ?
O50 H201a 2.617(10) . . ?
O50 H501a 2.176(11) . . ?
O50 H501b 2.493(12) . . ?
O50 H502a 2.482(13) . . ?
O50 H502c 2.631(12) . . ?
C50 H501a 1.924(10) . . ?
C50 H501b 1.936(12) . . ?
C50 H501c 2.036(8) . . ?
C50 H502a 1.949(11) . . ?
C50 H502b 1.958(10) . . ?
C50 H502c 1.947(9) . . ?
C501 C502 2.44(2) . . ?
C501 H502b 2.556(14) . . ?
C502 H501c 2.618(14) . . ?
O60 C601 2.349(13) . . ?
O60 C602 2.342(11) . . ?
O60 H444a 2.652(4) . '3 775' ?
O60 H201c 2.550(4) . . ?
O60 H202c 2.488(4) . . ?
O60 H201'c 2.485(4) . . ?
O60 H202'c 2.488(4) . . ?
O60 H601b 2.429(4) . . ?
O60 H602b 2.513(4) . . ?
C60 H601a 2.028(7) . . ?
C60 H601b 2.028(8) . . ?
C60 H601c 2.039(7) . . ?
C60 H602a 2.023(7) . . ?
C60 H602b 2.015(8) . . ?
C60 H602c 2.003(7) . . ?
C601 C602 2.533(18) . . ?
C601 H602a 2.604(13) . . ?
C602 H601a 2.686(11) . . ?
O70 C701 2.345(7) . . ?
O70 C702 2.344(8) . . ?
O70 H701c 2.451(5) . . ?
O70 H702b 2.451(5) . . ?
C70 H701a 1.999(5) . . ?
C70 H701b 1.996(5) . . ?
C70 H701c 2.024(5) . . ?
C70 H702a 2.031(5) . . ?
C70 H702b 2.028(5) . . ?
C70 H702c 2.026(5) . . ?
C701 C702 2.520(8) . . ?
C702 H701a 2.677(6) . . ?
O80 C801 2.349(12) . . ?
O80 C802 2.363(13) . . ?
O80 O01 2.47(2) . 2 ?
O80 H801a 2.444(6) . . ?
O80 H802a 2.567(6) . . ?
O80 H902a 2.603(6) . '1 565' ?
O80 H901'b 2.543(6) . '1 565' ?
C80 O01 2.88(2) . 2 ?
C80 H801a 2.118(10) . . ?
C80 H801b 2.135(10) . . ?
C80 H801c 2.129(10) . . ?
C80 H802a 1.975(9) . . ?
C80 H802b 2.026(9) . . ?
C80 H802c 1.968(10) . . ?
C801 C802 2.556(15) . . ?
C801 H802b 2.635(10) . . ?
C802 O01 2.89(3) . 2 ?
O90 C901 2.316(10) . . ?
O90 C902 2.330(18) . . ?
O90 C902' 2.51(3) . . ?
O90 H71 2.17(4) . '1 545' ?
O90 H8b 2.653(4) . '1 545' ?
O90 H901b 2.499(4) . . ?
O90 H902b 2.390(5) . . ?
O90 H901'a 2.426(4) . . ?
O90 H901'b 2.540(4) . . ?
O90 H902'c 2.563(5) . . ?
C90 C902' 2.72(4) . . ?
C90 H901a 1.974(9) . . ?
C90 H901b 1.964(10) . . ?
C90 H901c 1.993(9) . . ?
C90 H902a 2.064(12) . . ?
C90 H902b 2.062(11) . . ?
C90 H902c 2.118(12) . . ?
C90 H901'b 1.638(9) . . ?
C90 H901'c 2.346(9) . . ?
C901 C902 2.58(2) . . ?
C901 C902' 2.48(4) . . ?
C901 H902c 2.660(13) . . ?
C901 H902'a 2.453(13) . . ?
C901 H902'b 2.641(14) . . ?
C902 C90' 2.91(2) . . ?
C902 H901a 2.592(18) . . ?
C902 H901'a 2.031(17) . . ?
C902 H901'b 2.503(18) . . ?
C90' H901a 2.322(18) . . ?
C90' H901c 1.75(2) . . ?
C90' H901'a 1.935(18) . . ?
C90' H901'b 1.921(17) . . ?
C90' H901'c 1.968(18) . . ?
C90' H902'a 1.958(19) . . ?
C90' H902'b 1.949(17) . . ?
C90' H902'c 1.958(17) . . ?
C902' H143c 2.30(3) . . ?
C902' H901b 2.25(3) . . ?
C902' H901c 2.20(3) . . ?
C902' H901'c 2.46(3) . . ?
O01 H302a 2.54(2) . '3 675' ?
O01 H802a 2.20(2) . '2 545' ?
H13 H143b 2.3379(4) . . ?
H13 H143c 2.1430(3) . . ?
H13 H25 2.3725(5) . . ?
H142a H142b 1.5514(3) . . ?
H142a H142c 1.5511(2) . . ?
H142b H142c 1.5512(3) . . ?
H142b H15 2.1620(4) . . ?
H143a H143b 1.5512(2) . . ?
H143a H143c 1.5516(2) . . ?
H143b H143c 1.5513(2) . . ?
H143c H902'a 1.9888(4) . . ?
H143c H902'c 2.2374(3) . . ?
H144a H144b 1.5512(2) . . ?
H144a H144c 1.5513(3) . . ?
H144b H144c 1.5513(2) . . ?
H1a H1b 1.55127(19) . . ?
H1a H91 2.26(5) . . ?
H23 H244c 2.2734(4) . . ?
H242a H242b 1.5514(3) . . ?
H242a H242c 1.5513(2) . . ?
H242a H902'c 2.2244(5) . '3 665' ?
H242b H242c 1.5513(2) . . ?
H242b H8a 2.3395(4) . '3 675' ?
H243a H243b 1.5514(2) . . ?
H243a H243c 1.5513(2) . . ?
H243b H243c 1.5516(3) . . ?
H243b H25 2.2695(4) . . ?
H243c H25 2.2672(4) . . ?
H244a H244b 1.5514(2) . . ?
H244a H244c 1.5514(3) . . ?
H244a H53 2.3749(4) . '1 545' ?
H244b H244c 1.5514(3) . . ?
H2a H2b 1.5513(3) . . ?
H33 H344b 2.0800(3) . . ?
H342a H342b 1.5513(2) . . ?
H342a H342c 1.5512(3) . . ?
H342b H342c 1.5515(2) . . ?
H342c H35 2.0939(3) . . ?
H343a H343b 1.5512(3) . . ?
H343a H343c 1.5514(2) . . ?
H343b H343c 1.5515(2) . . ?
H344a H344b 1.5511(2) . . ?
H344a H344c 1.5514(3) . . ?
H344b H344c 1.5506(3) . . ?
H3a H3b 1.5516(2) . . ?
H3b H81 2.36(4) . '3 675' ?
H41 H4b 2.28(4) . . ?
H43 H442b 2.3208(3) . . ?
H43 H444c 2.3464(4) . . ?
H442a H442b 1.5512(3) . . ?
H442a H442c 1.5511(2) . . ?
H442b H442c 1.5512(3) . . ?
H443a H443b 1.5512(2) . . ?
H443a H443c 1.5515(2) . . ?
H443b H443c 1.5515(2) . . ?
H443b H45 2.1737(4) . . ?
H443c H444b 2.3637(5) . . ?
H443c H45 2.2784(4) . . ?
H444a H444b 1.5514(2) . . ?
H444a H444c 1.5513(3) . . ?
H444b H444c 1.5515(3) . . ?
H45 H4a 2.3715(3) . . ?
H4a H4b 1.5512(3) . . ?
H51 H5a 2.09(4) . . ?
H53 H544b 2.2466(3) . . ?
H53 H544c 2.3180(3) . . ?
H542a H542b 1.5512(3) . . ?
H542a H542c 1.5513(3) . . ?
H542b H542c 1.5511(2) . . ?
H542c H55 2.2459(3) . . ?
H543a H543b 1.5511(3) . . ?
H543a H543c 1.5515(2) . . ?
H543b H543c 1.5515(2) . . ?
H543b H55 2.3822(4) . . ?
H544a H544b 1.5511(2) . . ?
H544a H544c 1.5513(3) . . ?
H544b H544c 1.5513(2) . . ?
H55 H5b 2.3751(4) . . ?
H5a H5b 1.5512(2) . . ?
H5b H844a 2.3634(4) . '4 574' ?
H61 H7a 2.21(4) . . ?
H63 H644b 2.1570(3) . . ?
H63 H644c 2.3771(5) . . ?
H63 H7b 2.3700(3) . . ?
H642a H642b 1.5512(2) . . ?
H642a H642c 1.5514(3) . . ?
H642b H642c 1.5510(2) . . ?
H642c H65 2.1981(5) . . ?
H643a H643b 1.5513(3) . . ?
H643a H643c 1.5515(3) . . ?
H643b H643c 1.5513(3) . . ?
H644a H644b 1.5514(2) . . ?
H644a H644c 1.5513(2) . . ?
H644b H644c 1.5515(3) . . ?
H6a H6b 1.5515(3) . . ?
H73 H744b 2.0781(3) . . ?
H742a H742b 1.5514(2) . . ?
H742a H742c 1.5513(2) . . ?
H742b H742c 1.5513(3) . . ?
H743a H743b 1.5512(3) . . ?
H743a H743c 1.5514(2) . . ?
H743b H743c 1.5510(2) . . ?
H743c H75 2.0695(3) . . ?
H744a H744b 1.5513(2) . . ?
H744a H744c 1.5513(3) . . ?
H744b H744c 1.5515(2) . . ?
H7a H7b 1.5515(2) . . ?
H81 H9a 2.12(4) . . ?
H83 H844b 2.1287(3) . . ?
H83 H9b 2.3764(4) . . ?
H842a H842b 1.5515(2) . . ?
H842a H842c 1.5517(2) . . ?
H842b H842c 1.5515(2) . . ?
H843a H843b 1.5512(3) . . ?
H843a H843c 1.5510(2) . . ?
H843b H843c 1.5512(3) . . ?
H843c H85 2.1468(4) . . ?
H844a H844b 1.5514(2) . . ?
H844a H844c 1.5514(3) . . ?
H844b H844c 1.5514(3) . . ?
H844c H802c 2.2541(3) . . ?
H85 H8b 2.3525(3) . . ?
H8a H8b 1.5514(2) . . ?
H93 H944b 2.0893(4) . . ?
H942a H942b 1.5511(3) . . ?
H942a H942c 1.5514(2) . . ?
H942b H942c 1.5514(3) . . ?
H942c H95 2.1696(3) . . ?
H943a H943b 1.5513(2) . . ?
H943a H943c 1.5513(2) . . ?
H943b H943c 1.5514(3) . . ?
H944a H944b 1.5514(2) . . ?
H944a H944c 1.5514(3) . . ?
H944b H944c 1.5513(2) . . ?
H9a H9b 1.5513(2) . . ?
H101a H101b 1.5513(2) . . ?
H101a H101c 1.5725(2) . . ?
H101a H101'c 1.5990(2) . . ?
H101b H101c 1.5550(3) . . ?
H101b H101'a 1.8109(3) . . ?
H101b H101'c 1.5450(3) . . ?
H101c H101'a 1.54526(19) . . ?
H101c H101'b 1.5453(2) . . ?
H102a H102b 1.5514(3) . . ?
H102a H102c 1.5240(3) . . ?
H102a H102'b 1.0234(2) . . ?
H102a H102'c 1.6447(2) . . ?
H102b H102c 1.5469(3) . . ?
H102b H102'a 1.8080(3) . . ?
H102b H102'c 1.4827(3) . . ?
H102c H102'a 1.5175(2) . . ?
H102c H102'b 1.5177(3) . . ?
H101'a H101'b 1.5514(3) . . ?
H101'a H101'c 1.55337(19) . . ?
H101'b H101'c 1.5635(2) . . ?
H102'a H102'b 1.5512(2) . . ?
H102'a H102'c 1.5976(2) . . ?
H102'b H102'c 1.5598(3) . . ?
H201a H201b 1.5513(2) . . ?
H201a H201c 1.5497(2) . . ?
H201a H201'b 1.05857(16) . . ?
H201a H201'c 1.6596(2) . . ?
H201b H201c 1.5511(3) . . ?
H201b H201'a 1.7990(3) . . ?
H201b H201'c 1.4937(3) . . ?
H201c H201'a 1.5197(2) . . ?
H201c H201'b 1.5197(3) . . ?
H202a H202b 1.5515(3) . . ?
H202a H202c 1.5202(3) . . ?
H202a H202'b 1.8306(3) . . ?
H202a H202'c 1.5202(3) . . ?
H202b H202c 1.5463(2) . . ?
H202b H202'a 1.00116(17) . . ?
H202b H202'c 1.5463(2) . . ?
H202c H202'a 1.5386(2) . . ?
H202c H202'b 1.5388(3) . . ?
H201'a H201'b 1.5513(3) . . ?
H201'a H201'c 1.5949(2) . . ?
H201'b H201'c 1.5592(3) . . ?
H202'a H202'b 1.5515(2) . . ?
H202'a H202'c 1.5386(2) . . ?
H202'b H202'c 1.5388(3) . . ?
H301a H301b 1.5514(2) . . ?
H301a H301c 1.5366(2) . . ?
H301b H301c 1.5490(3) . . ?
H301c H701c 2.3886(5) . '3 675' ?
H302a H302b 1.5512(2) . . ?
H302a H302c 1.5484(3) . . ?
H302b H302c 1.5336(2) . . ?
H401a H401b 1.5511(2) . . ?
H401a H401c 1.5575(2) . . ?
H401b H401c 1.5856(2) . . ?
H402a H402b 1.5514(2) . . ?
H402a H402c 1.5462(3) . . ?
H402b H402c 1.5188(2) . . ?
H501a H501b 1.5513(3) . . ?
H501a H501c 1.6274(2) . . ?
H501b H501c 1.5660(2) . . ?
H501c H502b 2.3594(3) . . ?
H502a H502b 1.5514(3) . . ?
H502a H502c 1.5503(3) . . ?
H502b H502c 1.5464(2) . . ?
H601a H601b 1.5512(2) . . ?
H601a H601c 1.5523(3) . . ?
H601b H601c 1.5517(3) . . ?
H602a H602b 1.5513(3) . . ?
H602a H602c 1.5437(2) . . ?
H602b H602c 1.5501(2) . . ?
H701a H701b 1.5515(2) . . ?
H701a H701c 1.5555(2) . . ?
H701b H701c 1.5755(3) . . ?
H702a H702b 1.5513(3) . . ?
H702a H702c 1.5481(2) . . ?
H702b H702c 1.5507(2) . . ?
H801a H801b 1.5513(3) . . ?
H801a H801c 1.5510(3) . . ?
H801b H801c 1.5487(2) . . ?
H802a H802b 1.5515(2) . . ?
H802a H802c 1.5472(2) . . ?
H802b H802c 1.5262(2) . . ?
H901a H901b 1.5513(3) . . ?
H901a H901c 1.5547(2) . . ?
H901a H901'a 1.2042(2) . . ?
H901a H901'c 1.2993(2) . . ?
H901b H901c 1.5705(2) . . ?
H901b H901'a 1.9256(2) . . ?
H901b H901'b 1.1797(2) . . ?
H901b H901'c 1.1340(2) . . ?
H901b H902'b 2.0745(4) . . ?
H901c H901'a 1.08849(17) . . ?
H901c H901'b 1.8849(3) . . ?
H901c H902'a 1.8290(3) . . ?
H902a H902b 1.5513(3) . . ?
H902a H902c 1.5584(3) . . ?
H902b H902c 1.5903(2) . . ?
H902c H901'a 1.8679(3) . . ?
H901'a H901'b 1.5514(2) . . ?
H901'a H901'c 1.5592(2) . . ?
H901'b H901'c 1.5949(2) . . ?
H901'c H902'a 2.2509(3) . . ?
H901'c H902'b 2.3904(4) . . ?
H902'a H902'b 1.5515(2) . . ?
H902'a H902'c 1.5607(3) . . ?
H902'b H902'c 1.5530(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
? ? ? ? ? ? ? ? ? ?
