#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/06/7220644.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_7220644
loop_
_publ_author_name
'Zhu, Tianyu'
'Chen, Peng'
'Li, Hongfeng'
'Sun, Wenbin'
'Gao, Ting'
'Yan, Pengfei'
_publ_section_title
;
 Structural effects on the photophysical properties of mono-β-diketonate
 and bis-β-diketonate Eu(III) complexes.
;
_journal_issue                   24
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              16136
_journal_page_last               16144
_journal_paper_doi               10.1039/c5cp01392e
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C74 H66 Eu2 F18 O22 S4'
_chemical_formula_weight         2081.43
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-03-05 deposited with the CCDC.
2015-05-11 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 122.737(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.453(2)
_cell_length_b                   23.9254(14)
_cell_length_c                   19.4634(17)
_cell_measurement_reflns_used    3486
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.8286
_cell_measurement_theta_min      3.2628
_cell_volume                     8794.9(17)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2011)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2011)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2011)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.861
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0326
_diffrn_reflns_av_sigmaI/netI    0.0528
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            20047
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.89
_diffrn_reflns_theta_min         3.27
_exptl_absorpt_coefficient_mu    1.613
_exptl_absorpt_correction_T_max  0.811
_exptl_absorpt_correction_T_min  0.785
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4152
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.510
_refine_diff_density_min         -0.819
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         9978
_refine_ls_number_restraints     38
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.1087
_refine_ls_R_factor_gt           0.0659
_refine_ls_shift/su_max          0.027
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0943P)²+38.4592P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1658
_refine_ls_wR_factor_ref         0.2059
_reflns_number_gt                6298
_reflns_number_total             9978
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cp01392e3.cif
_cod_data_source_block           c
_cod_depositor_comments
'Adding full bibliography for 7220643--7220644.cif.'
_cod_original_cell_volume        8794.9(13)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7220644
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Eu1 Eu 0.243149(18) 0.090212(16) 0.78734(2) 0.05968(16) Uani 1 1 d .
O1 O 0.1618(3) 0.0340(3) 0.7992(4) 0.0949(19) Uani 1 1 d .
O2 O 0.3145(3) 0.0058(3) 0.8310(3) 0.096(2) Uani 1 1 d .
O3 O 0.2060(3) 0.0289(2) 0.6758(3) 0.0874(18) Uani 1 1 d .
O4 O -0.1213(3) 0.1785(3) 0.3285(3) 0.0941(19) Uani 1 1 d .
O5 O 0.2506(3) 0.1417(3) 0.6875(3) 0.0817(16) Uani 1 1 d .
O6 O 0.1702(3) 0.2043(3) 0.3363(3) 0.0930(19) Uani 1 1 d .
O7 O 0.2962(4) 0.0830(3) 0.9323(4) 0.0882(18) Uani 1 1 d .
O8 O 0.1293(2) 0.1260(2) 0.6848(3) 0.0643(12) Uani 1 1 d .
O9 O 0.3626(3) 0.1199(3) 0.8396(3) 0.0830(16) Uani 1 1 d .
O10 O 0.2236(3) 0.1781(2) 0.8293(3) 0.0772(15) Uani 1 1 d .
O11 O 0.0231(3) -0.0806(2) 0.3326(3) 0.0763(16) Uani 1 1 d .
C1 C 0.4738(8) 0.1182(12) 0.8578(8) 0.175(9) Uani 1 1 d .
C2 C 0.1892(7) 0.2645(5) 0.8513(7) 0.104(3) Uani 1 1 d .
C3 C 0.2800(4) -0.0499(4) 0.7154(5) 0.083(2) Uani 1 1 d .
H3A H 0.2917 -0.0821 0.6985 0.099 Uiso 1 1 calc R
C4 C 0.2197(4) -0.0173(3) 0.6568(4) 0.0668(19) Uani 1 1 d .
C5 C 0.3193(4) -0.0346(4) 0.7935(5) 0.080(2) Uani 1 1 d .
C6 C 0.2115(6) -0.0344(5) 0.9210(6) 0.122(4) Uani 1 1 d D
H6A H 0.2329 -0.0036 0.9580 0.182 Uiso 1 1 calc R
H6B H 0.2452 -0.0504 0.9107 0.182 Uiso 1 1 calc R
H6C H 0.1970 -0.0622 0.9446 0.182 Uiso 1 1 calc R
C7 C 0.0069(6) 0.2270(4) 0.5366(5) 0.111(4) Uani 1 1 d .
H7A H 0.0205 0.2597 0.5675 0.133 Uiso 1 1 calc R
C8 C -0.1590(6) 0.2280(4) 0.2875(5) 0.102(3) Uani 1 1 d .
H8A H -0.1266 0.2564 0.2914 0.122 Uiso 1 1 calc R
H8B H -0.1838 0.2424 0.3120 0.122 Uiso 1 1 calc R
C9 C 0.3069(4) 0.1673(4) 0.5469(5) 0.075(2) Uani 1 1 d .
H9A H 0.3557 0.1631 0.5804 0.091 Uiso 1 1 calc R
C10 C -0.0676(5) 0.1822(4) 0.4092(4) 0.076(2) Uani 1 1 d .
C11 C 0.1932(4) 0.1633(4) 0.5264(5) 0.074(2) Uani 1 1 d .
H11A H 0.1640 0.1560 0.5456 0.089 Uiso 1 1 calc R
C12 C -0.0464(7) 0.2300(4) 0.4566(6) 0.121(4) Uani 1 1 d .
H12A H -0.0685 0.2640 0.4339 0.145 Uiso 1 1 calc R
C13 C -0.0329(5) 0.1334(4) 0.4450(5) 0.081(2) Uani 1 1 d .
H13A H -0.0452 0.1009 0.4138 0.098 Uiso 1 1 calc R
C14 C 0.0622(5) -0.0215(4) 0.4423(5) 0.085(3) Uani 1 1 d .
H14A H 0.0215 -0.0004 0.4100 0.102 Uiso 1 1 calc R
C15 C 0.1630(5) 0.1795(4) 0.4472(5) 0.081(2) Uani 1 1 d .
H15A H 0.1143 0.1842 0.4137 0.097 Uiso 1 1 calc R
C16 C 0.1215(5) 0.2190(3) 0.7153(5) 0.074(2) Uani 1 1 d .
H16A H 0.0960 0.2522 0.6964 0.089 Uiso 1 1 calc R
C17 C 0.2776(5) 0.1830(4) 0.4675(5) 0.080(2) Uani 1 1 d .
H17A H 0.3066 0.1897 0.4479 0.096 Uiso 1 1 calc R
C18 C 0.3930(5) 0.1207(5) 0.8024(6) 0.091(3) Uani 1 1 d .
C19 C 0.1102(5) -0.0053(4) 0.5212(4) 0.081(2) Uani 1 1 d .
H19A H 0.1020 0.0272 0.5411 0.097 Uiso 1 1 calc R
C20 C 0.0200(4) 0.1317(3) 0.5266(5) 0.074(2) Uani 1 1 d .
H20A H 0.0416 0.0976 0.5499 0.089 Uiso 1 1 calc R
C21 C 0.3661(4) 0.1285(5) 0.7211(5) 0.092(3) Uani 1 1 d .
H21A H 0.3960 0.1253 0.7019 0.110 Uiso 1 1 calc R
C22 C 0.0418(4) 0.1785(3) 0.5741(4) 0.0611(17) Uani 1 1 d .
C23 C 0.2060(5) 0.1890(3) 0.4167(4) 0.074(2) Uani 1 1 d .
C24 C 0.0308(4) -0.1279(3) 0.2933(4) 0.0675(19) Uani 1 1 d .
H24A H 0.0313 -0.1621 0.3205 0.081 Uiso 1 1 calc R
H24B H 0.0748 -0.1254 0.2953 0.081 Uiso 1 1 calc R
C25 C 0.0735(4) -0.0688(3) 0.4104(4) 0.0623(17) Uani 1 1 d .
C26 C 0.1344(4) -0.1004(3) 0.4593(4) 0.0663(19) Uani 1 1 d .
H26A H 0.1434 -0.1320 0.4384 0.080 Uiso 1 1 calc R
C27 C 0.1007(4) 0.1730(3) 0.6616(4) 0.0611(17) Uani 1 1 d .
C28 C 0.2936(5) 0.1414(3) 0.6655(5) 0.071(2) Uani 1 1 d .
C29 C 0.1810(4) -0.0844(3) 0.5388(5) 0.069(2) Uani 1 1 d .
H29A H 0.2208 -0.1064 0.5715 0.082 Uiso 1 1 calc R
C30 C 0.2653(4) 0.1573(4) 0.5790(4) 0.0682(19) Uani 1 1 d .
C31 C 0.1713(4) -0.0367(3) 0.5723(4) 0.0647(18) Uani 1 1 d .
C32 C 0.1785(4) 0.2160(3) 0.7951(5) 0.0690(19) Uani 1 1 d .
C33 C 0.3830(9) -0.0741(6) 0.8511(8) 0.146(7) Uani 1 1 d .
C34 C 0.2106(6) 0.2130(4) 0.2997(5) 0.096(3) Uani 1 1 d .
H34A H 0.2362 0.1793 0.3034 0.115 Uiso 1 1 calc R
H34B H 0.2446 0.2430 0.3274 0.115 Uiso 1 1 calc R
C35 C 0.3979(8) 0.1458(6) 1.0284(10) 0.176(7) Uani 1 1 d D
H35A H 0.3778 0.1826 1.0138 0.264 Uiso 1 1 calc R
H35B H 0.4152 0.1355 0.9946 0.264 Uiso 1 1 calc R
H35C H 0.4363 0.1455 1.0847 0.264 Uiso 1 1 calc R
C36 C 0.0983(10) -0.0615(9) 0.7690(13) 0.251(10) Uani 1 1 d DU
H36A H 0.0577 -0.0483 0.7188 0.376 Uiso 1 1 calc R
H36B H 0.0834 -0.0875 0.7943 0.376 Uiso 1 1 calc R
H36C H 0.1303 -0.0798 0.7578 0.376 Uiso 1 1 calc R
C37' C 0.38(2) 0.041(17) 1.07(2) 0.34(4) Uani 0.50 1 d PD
H37A H 0.3779 0.0018 1.0609 0.509 Uiso 0.50 1 calc PR
H37B H 0.3482 0.0538 1.0820 0.509 Uiso 0.50 1 calc PR
H37C H 0.4300 0.0467 1.1230 0.509 Uiso 0.50 1 calc PR
C37 C 0.392(19) 0.050(17) 1.07(2) 0.34(4) Uani 0.50 1 d PD
H37D H 0.3691 0.0232 1.0840 0.509 Uiso 0.50 1 calc PR
H37E H 0.4317 0.0661 1.1192 0.509 Uiso 0.50 1 calc PR
H37F H 0.4091 0.0327 1.0394 0.509 Uiso 0.50 1 calc PR
F1 F 0.3666(7) -0.0981(6) 0.9019(12) 0.294(10) Uani 1 1 d .
F2 F 0.4352(4) -0.0519(4) 0.9041(7) 0.212(5) Uani 1 1 d .
F3 F 0.2542(6) 0.2796(4) 0.8968(7) 0.212(5) Uani 1 1 d .
F4 F 0.1534(6) 0.3076(3) 0.8186(5) 0.203(5) Uani 1 1 d .
F5 F 0.1744(6) 0.2484(4) 0.9056(5) 0.176(4) Uani 1 1 d .
F6 F 0.3936(8) -0.1120(7) 0.8221(6) 0.315(10) Uani 1 1 d U
F7 F 0.4897(6) 0.0660(6) 0.8839(14) 0.329(11) Uani 1 1 d U
F8 F 0.5008(4) 0.1363(8) 0.9272(7) 0.251(7) Uani 1 1 d U
F9 F 0.5084(4) 0.1281(11) 0.8347(7) 0.360(11) Uani 1 1 d U
S1' S 0.1752(3) -0.0327(2) 0.8166(3) 0.0874(9) Uani 0.50 1 d PD
S1 S 0.1369(3) -0.0107(2) 0.8281(3) 0.0874(9) Uani 0.50 1 d PD
S2' S 0.3798(3) 0.0760(3) 0.9982(3) 0.0998(12) Uani 0.50 1 d PD
S2 S 0.3360(3) 0.1004(3) 1.0147(3) 0.0998(12) Uani 0.50 1 d PD
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_3
O3 Eu1 O1 80.2(2) .
O3 Eu1 O10 145.40(18) .
O1 Eu1 O10 99.9(2) .
O3 Eu1 O5 73.6(2) .
O1 Eu1 O5 140.2(2) .
O10 Eu1 O5 86.0(2) .
O3 Eu1 O8 76.61(17) .
O1 Eu1 O8 75.72(18) .
O10 Eu1 O8 70.07(18) .
O5 Eu1 O8 69.47(18) .
O3 Eu1 O7 137.51(19) .
O1 Eu1 O7 76.4(2) .
O10 Eu1 O7 74.1(2) .
O5 Eu1 O7 141.8(2) .
O8 Eu1 O7 129.2(2) .
O3 Eu1 O9 109.3(2) .
O1 Eu1 O9 149.94(19) .
O10 Eu1 O9 88.0(2) .
O5 Eu1 O9 68.77(19) .
O8 Eu1 O9 133.71(19) .
O7 Eu1 O9 78.1(2) .
O3 Eu1 O2 69.15(18) .
O1 Eu1 O2 83.8(2) .
O10 Eu1 O2 145.45(19) .
O5 Eu1 O2 113.0(2) .
O8 Eu1 O2 142.55(18) .
O7 Eu1 O2 73.5(2) .
O9 Eu1 O2 73.9(2) .
O3 Eu1 S1' 70.11(19) .
O1 Eu1 S1' 23.57(18) .
O10 Eu1 S1' 120.61(17) .
O5 Eu1 S1' 142.84(18) .
O8 Eu1 S1' 94.21(15) .
O7 Eu1 S1' 74.40(17) .
O9 Eu1 S1' 131.60(17) .
O2 Eu1 S1' 60.5(2) .
S1 O1 S1' 42.6(3) .
S1 O1 Eu1 158.4(4) .
S1' O1 Eu1 120.6(4) .
C5 O2 Eu1 133.5(5) .
C4 O3 Eu1 142.6(5) .
C10 O4 C8 118.4(7) .
C28 O5 Eu1 133.2(5) .
C23 O6 C34 117.9(7) .
S2 O7 S2' 51.4(4) .
S2 O7 Eu1 156.9(5) .
S2' O7 Eu1 124.5(4) .
C27 O8 Eu1 136.9(5) .
C18 O9 Eu1 126.8(6) .
C32 O10 Eu1 134.8(5) .
C25 O11 C24 120.0(6) .
F9 C1 F8 110(2) .
F9 C1 F7 104.6(19) .
F8 C1 F7 92.3(14) .
F9 C1 C18 121.8(11) .
F8 C1 C18 117.1(12) .
F7 C1 C18 106(2) .
F4 C2 F3 107.3(11) .
F4 C2 F5 106.1(12) .
F3 C2 F5 102.2(11) .
F4 C2 C32 117.1(9) .
F3 C2 C32 112.9(11) .
F5 C2 C32 110.0(9) .
C5 C3 C4 121.0(7) .
O3 C4 C3 121.2(7) .
O3 C4 C31 117.1(6) .
C3 C4 C31 121.7(7) .
O2 C5 C3 131.7(7) .
O2 C5 C33 112.5(8) .
C3 C5 C33 115.8(8) .
C12 C7 C22 123.3(9) .
O4 C8 C34 107.4(8) 2
C17 C9 C30 121.7(8) .
C13 C10 O4 115.7(8) .
C13 C10 C12 118.1(8) .
O4 C10 C12 126.2(7) .
C15 C11 C30 122.3(8) .
C7 C12 C10 119.6(8) .
C10 C13 C20 120.8(8) .
C19 C14 C25 120.9(7) .
C11 C15 C23 119.5(8) .
C32 C16 C27 121.7(7) .
C9 C17 C23 120.4(8) .
O9 C18 C21 130.1(8) .
O9 C18 C1 114.0(8) .
C21 C18 C1 115.7(9) .
C14 C19 C31 121.2(7) .
C22 C20 C13 121.8(7) .
C18 C21 C28 121.2(8) .
C20 C22 C7 116.3(7) .
C20 C22 C27 118.2(6) .
C7 C22 C27 125.5(7) .
O6 C23 C17 126.1(8) .
O6 C23 C15 114.7(8) .
C17 C23 C15 119.2(7) .
O11 C24 C24 107.4(5) 2
O11 C25 C14 115.7(6) .
O11 C25 C26 125.0(7) .
C14 C25 C26 119.3(7) .
C29 C26 C25 119.1(7) .
O8 C27 C16 122.3(7) .
O8 C27 C22 117.1(7) .
C16 C27 C22 120.6(6) .
O5 C28 C21 121.3(7) .
O5 C28 C30 116.7(7) .
C21 C28 C30 121.9(8) .
C26 C29 C31 122.8(7) .
C11 C30 C9 116.8(7) .
C11 C30 C28 118.4(7) .
C9 C30 C28 124.7(7) .
C29 C31 C19 116.8(7) .
C29 C31 C4 125.1(7) .
C19 C31 C4 118.2(7) .
O10 C32 C16 129.0(7) .
O10 C32 C2 113.7(8) .
C16 C32 C2 117.3(8) .
F6 C33 F2 113.9(18) .
F6 C33 F1 103.3(17) .
F2 C33 F1 94.9(14) .
F6 C33 C5 118.1(11) .
F2 C33 C5 116.3(11) .
F1 C33 C5 105.9(15) .
O6 C34 C8 106.8(8) 2
S1 S1' O1 60.5(4) .
S1 S1' Eu1 94.9(4) .
O1 S1' Eu1 35.8(3) .
S1' S1 O1 76.9(5) .
S1' S1 C36 70.9(8) .
O1 S1 C36 117.5(10) .
S1' S1 C6 69.5(5) .
O1 S1 C6 106.4(5) .
C36 S1 C6 110.0(10) .
S2 S2' O7 56.5(4) .
S2 S2' C37' 73(4) .
O7 S2' C37' 104(10) .
S2' S2 O7 72.1(4) .
S2' S2 C37 55(4) .
O7 S2 C37 109(10) .
S2' S2 C35 70.3(6) .
O7 S2 C35 109.6(7) .
C37 S2 C35 95(10) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O3 2.367(5) .
Eu1 O1 2.378(6) .
Eu1 O10 2.381(5) .
Eu1 O5 2.382(6) .
Eu1 O8 2.394(5) .
Eu1 O7 2.403(6) .
Eu1 O9 2.405(6) .
Eu1 O2 2.427(6) .
Eu1 S1' 3.499(5) .
O1 S1 1.453(8) .
O1 S1' 1.626(8) .
O2 C5 1.251(9) .
O3 C4 1.256(9) .
O4 C10 1.371(9) .
O4 C8 1.422(10) .
O5 C28 1.250(9) .
O6 C23 1.366(9) .
O6 C34 1.440(11) .
O7 S2 1.412(7) .
O7 S2' 1.611(8) .
O8 C27 1.252(8) .
O9 C18 1.233(10) .
O10 C32 1.251(9) .
O11 C25 1.341(8) .
O11 C24 1.427(9) .
C1 F9 1.113(16) .
C1 F8 1.222(19) .
C1 F7 1.32(3) .
C1 C18 1.531(16) .
C2 F4 1.249(12) .
C2 F3 1.284(14) .
C2 F5 1.326(14) .
C2 C32 1.522(12) .
C3 C5 1.331(11) .
C3 C4 1.439(10) .
C4 C31 1.472(10) .
C5 C33 1.567(12) .
C6 S1 1.767(10) .
C7 C12 1.360(12) .
C7 C22 1.370(11) .
C8 C34 1.491(12) 2
C9 C17 1.364(11) .
C9 C30 1.396(11) .
C10 C13 1.369(11) .
C10 C12 1.381(12) .
C11 C15 1.362(11) .
C11 C30 1.379(11) .
C13 C20 1.377(11) .
C14 C19 1.371(11) .
C14 C25 1.379(11) .
C15 C23 1.398(12) .
C16 C32 1.380(11) .
C16 C27 1.414(10) .
C17 C23 1.366(12) .
C18 C21 1.368(12) .
C19 C31 1.400(10) .
C20 C22 1.364(11) .
C21 C28 1.419(11) .
C22 C27 1.493(10) .
C24 C24 1.494(14) 2
C25 C26 1.393(10) .
C26 C29 1.373(10) .
C28 C30 1.492(10) .
C29 C31 1.389(10) .
C33 F6 1.158(14) .
C33 F2 1.188(15) .
C33 F1 1.35(2) .
C34 C8 1.491(12) 2
C35 S2 1.668(12) .
C36 S1 1.573(15) .
C37' S2' 1.65(2) .
C37 S2 1.65(2) .
S1' S1 1.129(6) .
S2' S2 1.323(8) .
