# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_B
_database_code_depnum_ccdc_archive 'CCDC 971264'
_audit_update_record             
;
2013-11-10 deposited with the CCDC.
2015-06-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H38 N2 O2, 2(C24 H20 B)'
_chemical_formula_sum            'C78 H78 B2 N2 O2'
_chemical_formula_weight         1097.04

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P-1   '
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.4289(5)
_cell_length_b                   9.4465(5)
_cell_length_c                   19.5338(10)
_cell_angle_alpha                77.352(3)
_cell_angle_beta                 86.440(3)
_cell_angle_gamma                64.489(2)
_cell_volume                     1531.12(14)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9982
_cell_measurement_theta_min      2.39
_cell_measurement_theta_max      27.47

_exptl_crystal_description       prism
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.190
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             586
_exptl_absorpt_coefficient_mu    0.069
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            21528
_diffrn_reflns_av_R_equivalents  0.0310
_diffrn_reflns_av_sigmaI/netI    0.0278
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             5372
_reflns_number_gt                4579
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0426P)²+2.7915P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5372
_refine_ls_number_parameters     380
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0919
_refine_ls_R_factor_gt           0.0832
_refine_ls_wR_factor_ref         0.2159
_refine_ls_wR_factor_gt          0.2114
_refine_ls_goodness_of_fit_ref   1.222
_refine_ls_restrained_S_all      1.222
_refine_ls_shift/su_max          0.039
_refine_ls_shift/su_mean         0.007

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
_atom_site_disorder_assembly
_atom_site_disorder_group
B1 B 0.1752(5) 0.6016(5) 0.1892(2) 0.0354(9) Uani 1 1 d . . .
C1 C 0.1056(6) -0.3110(6) 0.9322(2) 0.0624(12) Uani 1 1 d . . .
H1A H 0.1329 -0.2597 0.9632 0.094 Uiso 1 1 calc R . .
H1B H 0.1579 -0.4254 0.9484 0.094 Uiso 1 1 calc R . .
H1C H -0.0061 -0.2771 0.9315 0.094 Uiso 1 1 calc R . .
C2 C 0.2279(5) -0.1679(5) 0.8483(2) 0.0520(10) Uani 1 1 d . . .
H2 H 0.2432 -0.1265 0.8847 0.062 Uiso 1 1 calc R . .
C3 C 0.2795(5) -0.1287(5) 0.7832(2) 0.0502(10) Uani 1 1 d . . .
H3 H 0.3310 -0.0622 0.7759 0.060 Uiso 1 1 calc R . .
C4 C 0.2558(4) -0.1874(4) 0.72749(19) 0.0401(8) Uani 1 1 d . . .
C5 C 0.1777(5) -0.2858(5) 0.7429(2) 0.0552(11) Uani 1 1 d . . .
H5 H 0.1586 -0.3273 0.7073 0.066 Uiso 1 1 calc R . .
C6 C 0.1287(5) -0.3232(5) 0.8084(2) 0.0535(11) Uani 1 1 d . . .
H6 H 0.0764 -0.3889 0.8170 0.064 Uiso 1 1 calc R . .
C7 C 0.3125(5) -0.1540(5) 0.6578(2) 0.0483(10) Uani 1 1 d . . .
H7 H 0.3184 -0.2209 0.6282 0.058 Uiso 1 1 calc R . .
C8 C 0.3563(5) -0.0386(5) 0.6323(2) 0.0462(9) Uani 1 1 d . . .
H8 H 0.3402 0.0361 0.6595 0.055 Uiso 1 1 calc R . .
C9 C 0.4284(4) -0.0185(5) 0.56460(19) 0.0438(9) Uani 1 1 d . . .
C10 C 0.4096(4) 0.1338(5) 0.5278(2) 0.0441(9) Uani 1 1 d . . .
C11 C 0.4795(5) 0.1516(5) 0.4643(2) 0.0464(9) Uani 1 1 d . . .
H11 H 0.4653 0.2536 0.4403 0.056 Uiso 1 1 calc R . .
C12 C 0.2708(5) 0.4185(5) 0.5191(2) 0.0517(10) Uani 1 1 d . . .
H12A H 0.2307 0.4310 0.4726 0.062 Uiso 1 1 calc R . .
H12B H 0.3616 0.4425 0.5143 0.062 Uiso 1 1 calc R . .
C13 C 0.1456(5) 0.5303(5) 0.5587(2) 0.0549(11) Uani 1 1 d . . .
H13A H 0.0606 0.4975 0.5671 0.066 Uiso 1 1 calc R . .
H13B H 0.1898 0.5202 0.6040 0.066 Uiso 1 1 calc R . .
C14 C 0.0794(7) 0.7043(6) 0.5206(3) 0.0726(14) Uani 1 1 d . . .
H14A H 0.0395 0.7134 0.4745 0.087 Uiso 1 1 calc R . .
H14B H 0.1639 0.7380 0.5140 0.087 Uiso 1 1 calc R . .
C15 C -0.0502(6) 0.8163(6) 0.5581(3) 0.0781(15) Uani 1 1 d . . .
H15A H -0.1295 0.7776 0.5693 0.117 Uiso 1 1 calc R . .
H15B H -0.0957 0.9215 0.5283 0.117 Uiso 1 1 calc R . .
H15C H -0.0080 0.8213 0.6005 0.117 Uiso 1 1 calc R . .
C16 C -0.0160(4) 0.6676(4) 0.18029(19) 0.0371(8) Uani 1 1 d . . .
C17 C -0.1136(5) 0.6686(5) 0.2377(2) 0.0466(9) Uani 1 1 d . . .
H17 H -0.0696 0.6414 0.2827 0.056 Uiso 1 1 calc R . .
C18 C -0.2718(5) 0.7081(5) 0.2304(3) 0.0585(12) Uani 1 1 d . . .
H18 H -0.3315 0.7072 0.2701 0.070 Uiso 1 1 calc R . .
C19 C -0.3411(5) 0.7486(5) 0.1651(3) 0.0596(12) Uani 1 1 d . . .
H19 H -0.4476 0.7754 0.1600 0.072 Uiso 1 1 calc R . .
C20 C -0.2508(5) 0.7489(5) 0.1073(2) 0.0559(11) Uani 1 1 d . . .
H20 H -0.2962 0.7762 0.0626 0.067 Uiso 1 1 calc R . .
C21 C -0.0921(5) 0.7090(5) 0.1152(2) 0.0458(9) Uani 1 1 d . . .
H21 H -0.0336 0.7098 0.0751 0.055 Uiso 1 1 calc R . .
C22 C 0.2484(4) 0.6817(4) 0.12133(18) 0.0347(8) Uani 1 1 d . . .
C23 C 0.1740(5) 0.8443(5) 0.0901(2) 0.0445(9) Uani 1 1 d . . .
H23 H 0.0769 0.9062 0.1064 0.053 Uiso 1 1 calc R . .
C24 C 0.2369(5) 0.9180(5) 0.0363(2) 0.0509(10) Uani 1 1 d . . .
H24 H 0.1825 1.0274 0.0177 0.061 Uiso 1 1 calc R . .
C25 C 0.3787(5) 0.8319(5) 0.0100(2) 0.0490(10) Uani 1 1 d . . .
H25 H 0.4209 0.8814 -0.0265 0.059 Uiso 1 1 calc R . .
C26 C 0.4568(5) 0.6717(6) 0.0386(2) 0.0527(10) Uani 1 1 d . . .
H26 H 0.5529 0.6112 0.0211 0.063 Uiso 1 1 calc R . .
C27 C 0.3934(4) 0.5978(5) 0.0939(2) 0.0452(9) Uani 1 1 d . . .
H27 H 0.4500 0.4890 0.1130 0.054 Uiso 1 1 calc R . .
C28 C 0.2276(4) 0.6473(4) 0.25702(18) 0.0375(8) Uani 1 1 d . . .
C29 C 0.3773(5) 0.5626(5) 0.2879(2) 0.0504(10) Uani 1 1 d . . .
H29 H 0.4471 0.4734 0.2712 0.060 Uiso 1 1 calc R . .
C30 C 0.4283(5) 0.6036(6) 0.3422(2) 0.0592(11) Uani 1 1 d . . .
H30 H 0.5301 0.5422 0.3611 0.071 Uiso 1 1 calc R . .
C31 C 0.3295(6) 0.7343(6) 0.3681(2) 0.0584(12) Uani 1 1 d . . .
H31 H 0.3626 0.7622 0.4049 0.070 Uiso 1 1 calc R . .
C32 C 0.1798(6) 0.8236(6) 0.3384(2) 0.0591(11) Uani 1 1 d . . .
H32 H 0.1109 0.9133 0.3550 0.071 Uiso 1 1 calc R . .
C33 C 0.1318(5) 0.7806(5) 0.2843(2) 0.0479(10) Uani 1 1 d . . .
H33 H 0.0306 0.8436 0.2650 0.057 Uiso 1 1 calc R . .
C34 C 0.2378(4) 0.4071(4) 0.19827(19) 0.0389(8) Uani 1 1 d . . .
C35 C 0.2606(5) 0.3339(5) 0.1409(2) 0.0505(10) Uani 1 1 d . . .
H35 H 0.2510 0.3959 0.0959 0.061 Uiso 1 1 calc R . .
C36 C 0.2967(6) 0.1725(6) 0.1488(3) 0.0640(13) Uani 1 1 d . . .
H36 H 0.3118 0.1283 0.1093 0.077 Uiso 1 1 calc R . .
C37 C 0.3105(6) 0.0772(5) 0.2146(3) 0.0651(13) Uani 1 1 d . . .
H37 H 0.3336 -0.0308 0.2199 0.078 Uiso 1 1 calc R . .
C38 C 0.2898(6) 0.1433(5) 0.2719(3) 0.0621(12) Uani 1 1 d . . .
H38 H 0.2988 0.0802 0.3167 0.074 Uiso 1 1 calc R . .
C39 C 0.2555(5) 0.3039(5) 0.2637(2) 0.0498(10) Uani 1 1 d . . .
H39 H 0.2436 0.3455 0.3038 0.060 Uiso 1 1 calc R . .
N1 N 0.1551(4) -0.2660(4) 0.86045(16) 0.0438(8) Uani 1 1 d . . .
O1 O 0.3135(4) 0.2595(3) 0.55797(14) 0.0562(8) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
B1 C16 1.641(5) . ?
B1 C34 1.641(5) . ?
B1 C22 1.644(5) . ?
B1 C28 1.644(5) . ?
C1 N1 1.480(5) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 N1 1.348(5) . ?
C2 C3 1.365(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.394(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.392(5) . ?
C4 C7 1.451(5) . ?
C5 C6 1.359(5) . ?
C5 H5 0.9300 . ?
C6 N1 1.332(5) . ?
C6 H6 0.9300 . ?
C7 C8 1.316(5) . ?
C7 H7 0.9300 . ?
C8 C9 1.461(5) . ?
C8 H8 0.9300 . ?
C9 C10 1.400(5) . ?
C9 C11 1.401(5) 2_656 ?
C10 O1 1.375(5) . ?
C10 C11 1.380(5) . ?
C11 C9 1.401(5) 2_656 ?
C11 H11 0.9300 . ?
C12 O1 1.419(5) . ?
C12 C13 1.509(6) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.511(6) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.504(6) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C21 1.392(5) . ?
C16 C17 1.404(5) . ?
C17 C18 1.381(6) . ?
C17 H17 0.9300 . ?
C18 C19 1.369(6) . ?
C18 H18 0.9300 . ?
C19 C20 1.372(6) . ?
C19 H19 0.9300 . ?
C20 C21 1.386(5) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 C23 1.391(5) . ?
C22 C27 1.395(5) . ?
C23 C24 1.378(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.369(6) . ?
C24 H24 0.9300 . ?
C25 C26 1.365(6) . ?
C25 H25 0.9300 . ?
C26 C27 1.400(5) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 C29 1.384(5) . ?
C28 C33 1.393(5) . ?
C29 C30 1.382(6) . ?
C29 H29 0.9300 . ?
C30 C31 1.369(6) . ?
C30 H30 0.9300 . ?
C31 C32 1.380(7) . ?
C31 H31 0.9300 . ?
C32 C33 1.375(6) . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?
C34 C39 1.398(5) . ?
C34 C35 1.401(5) . ?
C35 C36 1.385(6) . ?
C35 H35 0.9300 . ?
C36 C37 1.376(7) . ?
C36 H36 0.9300 . ?
C37 C38 1.363(7) . ?
C37 H37 0.9300 . ?
C38 C39 1.381(6) . ?
C38 H38 0.9300 . ?
C39 H39 0.9300 . ?

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_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C16 B1 C34 102.6(3) . . ?
C16 B1 C22 112.1(3) . . ?
C34 B1 C22 112.9(3) . . ?
C16 B1 C28 112.8(3) . . ?
C34 B1 C28 112.0(3) . . ?
C22 B1 C28 104.7(3) . . ?
N1 C1 H1A 109.5 . . ?
N1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
N1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N1 C2 C3 120.9(4) . . ?
N1 C2 H2 119.5 . . ?
C3 C2 H2 119.5 . . ?
C2 C3 C4 120.6(4) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 H3 119.7 . . ?
C3 C4 C5 116.0(3) . . ?
C3 C4 C7 123.0(4) . . ?
C5 C4 C7 121.0(4) . . ?
C6 C5 C4 121.9(4) . . ?
C6 C5 H5 119.1 . . ?
C4 C5 H5 119.1 . . ?
N1 C6 C5 120.3(4) . . ?
N1 C6 H6 119.8 . . ?
C5 C6 H6 119.8 . . ?
C8 C7 C4 126.7(4) . . ?
C8 C7 H7 116.7 . . ?
C4 C7 H7 116.7 . . ?
C7 C8 C9 125.2(4) . . ?
C7 C8 H8 117.4 . . ?
C9 C8 H8 117.4 . . ?
C10 C9 C11 118.5(3) . 2_656 ?
C10 C9 C8 120.8(4) . . ?
C11 C9 C8 120.7(4) 2_656 . ?
O1 C10 C11 124.1(3) . . ?
O1 C10 C9 115.4(3) . . ?
C11 C10 C9 120.4(4) . . ?
C10 C11 C9 121.1(4) . 2_656 ?
C10 C11 H11 119.5 . . ?
C9 C11 H11 119.5 2_656 . ?
O1 C12 C13 107.5(3) . . ?
O1 C12 H12A 110.2 . . ?
C13 C12 H12A 110.2 . . ?
O1 C12 H12B 110.2 . . ?
C13 C12 H12B 110.2 . . ?
H12A C12 H12B 108.5 . . ?
C14 C13 C12 113.5(4) . . ?
C14 C13 H13A 108.9 . . ?
C12 C13 H13A 108.9 . . ?
C14 C13 H13B 108.9 . . ?
C12 C13 H13B 108.9 . . ?
H13A C13 H13B 107.7 . . ?
C13 C14 C15 114.1(4) . . ?
C13 C14 H14A 108.7 . . ?
C15 C14 H14A 108.7 . . ?
C13 C14 H14B 108.7 . . ?
C15 C14 H14B 108.7 . . ?
H14A C14 H14B 107.6 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C21 C16 C17 114.3(3) . . ?
C21 C16 B1 122.3(3) . . ?
C17 C16 B1 122.9(3) . . ?
C18 C17 C16 123.1(4) . . ?
C18 C17 H17 118.5 . . ?
C16 C17 H17 118.5 . . ?
C19 C18 C17 120.4(4) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C20 C19 C18 118.8(4) . . ?
C20 C19 H19 120.6 . . ?
C18 C19 H19 120.6 . . ?
C19 C20 C21 120.4(4) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 H20 119.8 . . ?
C20 C21 C16 123.1(4) . . ?
C20 C21 H21 118.5 . . ?
C16 C21 H21 118.5 . . ?
C23 C22 C27 114.6(3) . . ?
C23 C22 B1 121.6(3) . . ?
C27 C22 B1 123.6(3) . . ?
C24 C23 C22 123.3(4) . . ?
C24 C23 H23 118.4 . . ?
C22 C23 H23 118.4 . . ?
C25 C24 C23 120.7(4) . . ?
C25 C24 H24 119.7 . . ?
C23 C24 H24 119.7 . . ?
C26 C25 C24 118.5(4) . . ?
C26 C25 H25 120.7 . . ?
C24 C25 H25 120.7 . . ?
C25 C26 C27 120.6(4) . . ?
C25 C26 H26 119.7 . . ?
C27 C26 H26 119.7 . . ?
C26 C27 C22 122.3(4) . . ?
C26 C27 H27 118.9 . . ?
C22 C27 H27 118.8 . . ?
C29 C28 C33 114.5(4) . . ?
C29 C28 B1 121.9(3) . . ?
C33 C28 B1 123.4(3) . . ?
C30 C29 C28 123.4(4) . . ?
C30 C29 H29 118.3 . . ?
C28 C29 H29 118.3 . . ?
C31 C30 C29 120.2(4) . . ?
C31 C30 H30 119.9 . . ?
C29 C30 H30 119.9 . . ?
C30 C31 C32 118.4(4) . . ?
C30 C31 H31 120.8 . . ?
C32 C31 H31 120.8 . . ?
C33 C32 C31 120.3(4) . . ?
C33 C32 H32 119.9 . . ?
C31 C32 H32 119.9 . . ?
C32 C33 C28 123.2(4) . . ?
C32 C33 H33 118.4 . . ?
C28 C33 H33 118.4 . . ?
C39 C34 C35 114.5(3) . . ?
C39 C34 B1 122.5(3) . . ?
C35 C34 B1 122.6(3) . . ?
C36 C35 C34 122.5(4) . . ?
C36 C35 H35 118.8 . . ?
C34 C35 H35 118.8 . . ?
C37 C36 C35 120.5(4) . . ?
C37 C36 H36 119.8 . . ?
C35 C36 H36 119.8 . . ?
C38 C37 C36 119.1(4) . . ?
C38 C37 H37 120.5 . . ?
C36 C37 H37 120.5 . . ?
C37 C38 C39 120.2(4) . . ?
C37 C38 H38 119.9 . . ?
C39 C38 H38 119.9 . . ?
C38 C39 C34 123.3(4) . . ?
C38 C39 H39 118.3 . . ?
C34 C39 H39 118.3 . . ?
C6 N1 C2 120.3(3) . . ?
C6 N1 C1 120.0(4) . . ?
C2 N1 C1 119.6(3) . . ?
C10 O1 C12 118.6(3) . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C2 C3 C4 1.0(7) . . . . ?
C2 C3 C4 C5 0.1(6) . . . . ?
C2 C3 C4 C7 -177.9(4) . . . . ?
C3 C4 C5 C6 -0.4(6) . . . . ?
C7 C4 C5 C6 177.6(4) . . . . ?
C4 C5 C6 N1 -0.3(7) . . . . ?
C3 C4 C7 C8 -17.9(7) . . . . ?
C5 C4 C7 C8 164.2(4) . . . . ?
C4 C7 C8 C9 173.2(4) . . . . ?
C7 C8 C9 C10 151.8(4) . . . . ?
C7 C8 C9 C11 -29.4(6) . . . 2_656 ?
C11 C9 C10 O1 177.9(4) 2_656 . . . ?
C8 C9 C10 O1 -3.3(5) . . . . ?
C11 C9 C10 C11 0.5(6) 2_656 . . . ?
C8 C9 C10 C11 179.3(4) . . . . ?
O1 C10 C11 C9 -177.6(4) . . . 2_656 ?
C9 C10 C11 C9 -0.5(7) . . . 2_656 ?
O1 C12 C13 C14 -175.6(4) . . . . ?
C12 C13 C14 C15 177.6(4) . . . . ?
C34 B1 C16 C21 -88.9(4) . . . . ?
C22 B1 C16 C21 32.6(5) . . . . ?
C28 B1 C16 C21 150.5(3) . . . . ?
C34 B1 C16 C17 83.2(4) . . . . ?
C22 B1 C16 C17 -155.3(3) . . . . ?
C28 B1 C16 C17 -37.4(5) . . . . ?
C21 C16 C17 C18 -0.3(6) . . . . ?
B1 C16 C17 C18 -173.0(4) . . . . ?
C16 C17 C18 C19 0.1(7) . . . . ?
C17 C18 C19 C20 0.1(7) . . . . ?
C18 C19 C20 C21 0.0(7) . . . . ?
C19 C20 C21 C16 -0.3(7) . . . . ?
C17 C16 C21 C20 0.4(6) . . . . ?
B1 C16 C21 C20 173.1(4) . . . . ?
C16 B1 C22 C23 42.4(4) . . . . ?
C34 B1 C22 C23 157.7(3) . . . . ?
C28 B1 C22 C23 -80.2(4) . . . . ?
C16 B1 C22 C27 -142.7(3) . . . . ?
C34 B1 C22 C27 -27.4(5) . . . . ?
C28 B1 C22 C27 94.7(4) . . . . ?
C27 C22 C23 C24 0.1(6) . . . . ?
B1 C22 C23 C24 175.4(4) . . . . ?
C22 C23 C24 C25 0.7(6) . . . . ?
C23 C24 C25 C26 -0.5(6) . . . . ?
C24 C25 C26 C27 -0.5(6) . . . . ?
C25 C26 C27 C22 1.3(6) . . . . ?
C23 C22 C27 C26 -1.0(5) . . . . ?
B1 C22 C27 C26 -176.3(3) . . . . ?
C16 B1 C28 C29 158.3(3) . . . . ?
C34 B1 C28 C29 43.2(5) . . . . ?
C22 B1 C28 C29 -79.5(4) . . . . ?
C16 B1 C28 C33 -27.3(5) . . . . ?
C34 B1 C28 C33 -142.5(3) . . . . ?
C22 B1 C28 C33 94.8(4) . . . . ?
C33 C28 C29 C30 1.1(6) . . . . ?
B1 C28 C29 C30 175.9(4) . . . . ?
C28 C29 C30 C31 -0.2(7) . . . . ?
C29 C30 C31 C32 -0.6(7) . . . . ?
C30 C31 C32 C33 0.4(7) . . . . ?
C31 C32 C33 C28 0.6(7) . . . . ?
C29 C28 C33 C32 -1.3(6) . . . . ?
B1 C28 C33 C32 -176.0(4) . . . . ?
C16 B1 C34 C39 -89.7(4) . . . . ?
C22 B1 C34 C39 149.4(3) . . . . ?
C28 B1 C34 C39 31.5(5) . . . . ?
C16 B1 C34 C35 82.7(4) . . . . ?
C22 B1 C34 C35 -38.1(5) . . . . ?
C28 B1 C34 C35 -156.1(3) . . . . ?
C39 C34 C35 C36 0.3(6) . . . . ?
B1 C34 C35 C36 -172.7(4) . . . . ?
C34 C35 C36 C37 0.6(7) . . . . ?
C35 C36 C37 C38 -0.7(7) . . . . ?
C36 C37 C38 C39 0.0(7) . . . . ?
C37 C38 C39 C34 0.9(7) . . . . ?
C35 C34 C39 C38 -1.1(6) . . . . ?
B1 C34 C39 C38 172.0(4) . . . . ?
C5 C6 N1 C2 1.3(6) . . . . ?
C5 C6 N1 C1 -178.2(4) . . . . ?
C3 C2 N1 C6 -1.7(6) . . . . ?
C3 C2 N1 C1 177.8(4) . . . . ?
C11 C10 O1 C12 6.1(6) . . . . ?
C9 C10 O1 C12 -171.2(4) . . . . ?
C13 C12 O1 C10 170.8(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         0.322
_refine_diff_density_min         -0.253
_refine_diff_density_rms         0.053

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_liu
_database_code_depnum_ccdc_archive 'CCDC 971265'
_audit_update_record             
;
2013-11-10 deposited with the CCDC.
2015-06-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C94 H70 Eu2 F24 N2 O18 S8'
_chemical_formula_weight         2531.92

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'
N N 0.0061 0.0033 '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'
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'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P-1   '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.1025(2)
_cell_length_b                   12.9530(3)
_cell_length_c                   21.3753(4)
_cell_angle_alpha                104.2860(10)
_cell_angle_beta                 99.4370(10)
_cell_angle_gamma                102.3000(10)
_cell_volume                     2578.22(9)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6801
_cell_measurement_theta_min      2.55
_cell_measurement_theta_max      25.04

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.631
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1262
_exptl_absorpt_coefficient_mu    1.475
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8665
_exptl_absorpt_correction_T_max  0.8665
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19034
_diffrn_reflns_av_R_equivalents  0.0266
_diffrn_reflns_av_sigmaI/netI    0.0450
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.68
_diffrn_reflns_theta_max         26.00
_reflns_number_total             10066
_reflns_number_gt                8271
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0999P)²+4.3523P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         10066
_refine_ls_number_parameters     669
_refine_ls_number_restraints     47
_refine_ls_R_factor_all          0.0703
_refine_ls_R_factor_gt           0.0556
_refine_ls_wR_factor_ref         0.1650
_refine_ls_wR_factor_gt          0.1530
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.082
_refine_ls_shift/su_max          0.035
_refine_ls_shift/su_mean         0.004

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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.6801(10) 1.2144(7) 0.2913(5) 0.077(2) Uani 1 1 d . . .
H1A H 0.6206 1.2042 0.3212 0.115 Uiso 1 1 calc R . .
H1B H 0.6527 1.2630 0.2675 0.115 Uiso 1 1 calc R . .
H1C H 0.7747 1.2460 0.3161 0.115 Uiso 1 1 calc R . .
C2 C 0.7716(7) 1.0920(6) 0.2131(4) 0.0547(17) Uani 1 1 d . . .
H2 H 0.8497 1.1508 0.2214 0.066 Uiso 1 1 calc R . .
C3 C 0.7636(7) 0.9933(6) 0.1702(4) 0.0531(16) Uani 1 1 d . . .
H3 H 0.8375 0.9847 0.1504 0.064 Uiso 1 1 calc R . .
C4 C 0.6474(7) 0.9048(6) 0.1554(3) 0.0474(15) Uani 1 1 d . . .
C5 C 0.5406(7) 0.9233(6) 0.1878(4) 0.0518(16) Uani 1 1 d . . .
H5 H 0.4611 0.8660 0.1799 0.062 Uiso 1 1 calc R . .
C6 C 0.5518(7) 1.0236(6) 0.2304(3) 0.0492(15) Uani 1 1 d . . .
H6 H 0.4789 1.0352 0.2503 0.059 Uiso 1 1 calc R . .
C7 C 0.6376(8) 0.7997(6) 0.1079(4) 0.0552(17) Uani 1 1 d . . .
H7 H 0.7131 0.7941 0.0888 0.066 Uiso 1 1 calc R . .
C8 C 0.5319(8) 0.7132(6) 0.0900(4) 0.0551(17) Uani 1 1 d . . .
H8 H 0.4565 0.7204 0.1090 0.066 Uiso 1 1 calc R . .
C9 C 0.5186(8) 0.6058(6) 0.0434(4) 0.0555(17) Uani 1 1 d . . .
C10 C 0.6138(8) 0.5845(6) 0.0067(4) 0.0569(17) Uani 1 1 d . . .
H10 H 0.6913 0.6415 0.0109 0.068 Uiso 1 1 calc R . .
C11 C 0.5996(8) 0.4816(6) -0.0365(4) 0.0562(17) Uani 1 1 d . . .
C12 C 0.8144(10) 0.5357(7) -0.0683(5) 0.081(3) Uani 1 1 d . . .
H12A H 0.8613 0.5743 -0.0224 0.097 Uiso 1 1 calc R . .
H12B H 0.7897 0.5892 -0.0896 0.097 Uiso 1 1 calc R . .
C13 C 0.9083(9) 0.4793(7) -0.1031(5) 0.077(2) Uani 1 1 d . . .
H13A H 0.8604 0.4421 -0.1490 0.093 Uiso 1 1 calc R . .
H13B H 0.9284 0.4237 -0.0826 0.093 Uiso 1 1 calc R . .
C14 C 1.0444(13) 0.5593(9) -0.1008(7) 0.115(4) Uani 1 1 d . . .
H14A H 1.0243 0.6091 -0.1262 0.138 Uiso 1 1 calc R . .
H14B H 1.0855 0.6035 -0.0552 0.138 Uiso 1 1 calc R . .
C15 C 1.1461(12) 0.5062(11) -0.1267(7) 0.121(4) Uani 1 1 d . . .
H15A H 1.1527 0.4462 -0.1086 0.181 Uiso 1 1 calc R . .
H15B H 1.2353 0.5592 -0.1145 0.181 Uiso 1 1 calc R . .
H15C H 1.1172 0.4784 -0.1742 0.181 Uiso 1 1 calc R . .
C16 C -0.1826(9) 0.1214(9) -0.0649(4) 0.081(3) Uani 1 1 d . . .
H16 H -0.2227 0.1101 -0.1093 0.097 Uiso 1 1 calc R . .
C17 C -0.2570(9) 0.1301(8) -0.0180(4) 0.072(2) Uani 1 1 d . . .
H17 H -0.3510 0.1274 -0.0282 0.086 Uiso 1 1 calc R . .
C18 C -0.1815(6) 0.1447(5) 0.0524(3) 0.0391(13) Uani 1 1 d . . .
H18 H -0.2144 0.1506 0.0909 0.047 Uiso 1 1 calc R . .
C19 C -0.0329(7) 0.1467(5) 0.0411(3) 0.0436(14) Uani 1 1 d . . .
C20 C 0.0849(6) 0.1617(5) 0.0960(3) 0.0401(13) Uani 1 1 d . . .
C21 C 0.2201(7) 0.1717(6) 0.0830(3) 0.0501(16) Uani 1 1 d . . .
H21 H 0.2314 0.1781 0.0417 0.060 Uiso 1 1 calc R . .
C22 C 0.3341(6) 0.1725(5) 0.1274(3) 0.0437(14) Uani 1 1 d . . .
C23 C 0.4712(8) 0.1823(7) 0.1032(4) 0.0602(19) Uani 1 1 d . . .
C24 C 0.6554(11) 0.6523(11) 0.2477(7) 0.112(4) Uani 1 1 d . . .
H24 H 0.7423 0.6702 0.2379 0.135 Uiso 1 1 calc R . .
C25 C 0.6006(12) 0.7272(9) 0.2778(7) 0.106(4) Uani 1 1 d . . .
H25 H 0.6460 0.8020 0.2896 0.128 Uiso 1 1 calc R . .
C26 C 0.4625(6) 0.6888(5) 0.2926(4) 0.0459(15) Uani 1 1 d . . .
H26 H 0.4081 0.7296 0.3133 0.055 Uiso 1 1 calc R . .
C27 C 0.4344(8) 0.5604(6) 0.2636(4) 0.0586(18) Uani 1 1 d . . .
C28 C 0.3160(7) 0.4754(6) 0.2647(4) 0.0510(16) Uani 1 1 d . . .
C29 C 0.2022(8) 0.5067(6) 0.2881(4) 0.0593(18) Uani 1 1 d . . .
H29 H 0.2089 0.5817 0.3037 0.071 Uiso 1 1 calc R . .
C30 C 0.0847(7) 0.4344(6) 0.2893(4) 0.0501(15) Uani 1 1 d . . .
C31 C -0.0263(10) 0.4801(7) 0.3171(5) 0.073(2) Uani 1 1 d . . .
C35 C 0.3270(8) 0.4107(8) 0.4853(4) 0.072(2) Uani 1 1 d D . .
C36 C 0.3284(8) 0.3202(8) 0.4254(4) 0.066(2) Uani 1 1 d . . .
C37 C 0.3681(9) 0.2250(9) 0.4345(4) 0.076(2) Uani 1 1 d . . .
H37 H 0.3837 0.2166 0.4768 0.091 Uiso 1 1 calc R . .
C38 C 0.3837(8) 0.1469(8) 0.3840(4) 0.068(2) Uani 1 1 d . . .
C39 C 0.4415(12) 0.0541(12) 0.4003(6) 0.095(3) Uani 1 1 d . . .
C40 C -0.1169(14) 0.1721(15) 0.5049(5) 0.127(5) Uani 1 1 d . . .
H40 H -0.1310 0.2186 0.5425 0.152 Uiso 1 1 calc R . .
C41 C -0.1572(16) 0.0637(14) 0.4883(8) 0.129(5) Uani 1 1 d U . .
H41 H -0.2038 0.0292 0.5148 0.155 Uiso 1 1 calc R . .
C42 C -0.1307(7) 0.0006(8) 0.4319(4) 0.061(2) Uani 1 1 d . . .
H42 H -0.1547 -0.0759 0.4143 0.073 Uiso 1 1 calc R . .
C43 C -0.0514(8) 0.0896(8) 0.4060(4) 0.068(2) Uani 1 1 d . . .
C44 C 0.0068(7) 0.0699(7) 0.3463(4) 0.0587(19) Uani 1 1 d . . .
C45 C 0.0176(9) -0.0357(7) 0.3140(4) 0.066(2) Uani 1 1 d . . .
H45 H -0.0106 -0.0933 0.3316 0.080 Uiso 1 1 calc R . .
C46 C 0.0680(8) -0.0576(6) 0.2574(4) 0.0598(18) Uani 1 1 d . . .
C47 C 0.0743(12) -0.1743(8) 0.2268(6) 0.084(3) Uani 1 1 d . . .
Eu01 Eu 0.20128(3) 0.20747(3) 0.260526(14) 0.03824(12) Uani 1 1 d . . .
F1 F 0.4659(6) 0.2026(8) 0.0474(4) 0.144(3) Uani 1 1 d . . .
F2 F 0.5135(5) 0.0926(5) 0.0994(3) 0.0913(16) Uani 1 1 d . . .
F3 F 0.5741(6) 0.2593(6) 0.1478(4) 0.128(3) Uani 1 1 d . . .
F4 F -0.1487(6) 0.4435(6) 0.2751(4) 0.113(2) Uani 1 1 d . . .
F5 F 0.0028(8) 0.5887(5) 0.3356(5) 0.144(3) Uani 1 1 d . . .
F6 F -0.0492(7) 0.4467(5) 0.3687(3) 0.1023(18) Uani 1 1 d . . .
F7 F 0.3593(11) -0.0431(8) 0.3693(7) 0.191(5) Uani 1 1 d . . .
F8 F 0.5596(8) 0.0515(8) 0.3802(4) 0.141(3) Uani 1 1 d . . .
F9 F 0.4702(10) 0.0613(9) 0.4624(4) 0.164(4) Uani 1 1 d . . .
F10 F -0.0156(9) -0.2201(5) 0.1677(4) 0.123(2) Uani 1 1 d . . .
F11 F 0.1981(8) -0.1788(5) 0.2153(4) 0.116(2) Uani 1 1 d . . .
F12 F 0.0480(9) -0.2418(5) 0.2634(4) 0.129(3) Uani 1 1 d . . .
N1 N 0.6682(6) 1.1058(5) 0.2437(3) 0.0497(13) Uani 1 1 d . . .
O1 O 0.6936(6) 0.4544(5) -0.0715(3) 0.0766(17) Uani 1 1 d . . .
O2 O 0.0587(4) 0.1629(4) 0.1515(2) 0.0450(10) Uani 1 1 d . . .
O3 O 0.3456(4) 0.1643(4) 0.1850(2) 0.0454(10) Uani 1 1 d . . .
O4 O 0.0526(4) 0.3292(4) 0.2704(2) 0.0481(10) Uani 1 1 d . . .
O5 O 0.3206(5) 0.3764(4) 0.2441(2) 0.0533(11) Uani 1 1 d . . .
O6 O 0.2943(5) 0.3335(4) 0.3696(2) 0.0589(12) Uani 1 1 d . . .
O7 O 0.3589(5) 0.1365(4) 0.3218(2) 0.0586(12) Uani 1 1 d . . .
O8 O 0.0475(5) 0.1537(4) 0.3271(3) 0.0587(12) Uani 1 1 d . . .
O9 O 0.1084(5) 0.0078(4) 0.2252(2) 0.0583(12) Uani 1 1 d . . .
S1 S -0.0164(3) 0.1319(3) -0.03888(12) 0.0851(7) Uani 1 1 d . . .
S2 S 0.5605(3) 0.5244(3) 0.2284(2) 0.1173(11) Uani 1 1 d . . .
S4 S -0.0381(4) 0.2153(4) 0.45062(19) 0.1272(13) Uani 1 1 d . . .
C34 C 0.3738(7) 0.4051(6) 0.5605(3) 0.0478(14) Uani 1 1 d DU . .
H34 H 0.4033 0.3531 0.5785 0.057 Uiso 1 1 calc R . .
C33 C 0.3514(13) 0.5158(9) 0.5897(7) 0.108(3) Uani 1 1 d DU . .
H33 H 0.3679 0.5427 0.6356 0.129 Uiso 1 1 calc R . .
C32 C 0.3074(12) 0.5801(11) 0.5520(5) 0.121(5) Uani 1 1 d D . .
H32 H 0.2965 0.6500 0.5703 0.145 Uiso 1 1 calc R . .
S3 S 0.2764(5) 0.5211(4) 0.4722(2) 0.1472(14) Uani 1 1 d DU . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.486(9) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 N1 1.341(9) . ?
C2 C3 1.355(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.384(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.405(9) . ?
C4 C7 1.456(9) . ?
C5 C6 1.361(9) . ?
C5 H5 0.9300 . ?
C6 N1 1.344(9) . ?
C6 H6 0.9300 . ?
C7 C8 1.299(10) . ?
C7 H7 0.9300 . ?
C8 C9 1.463(9) . ?
C8 H8 0.9300 . ?
C9 C10 1.368(10) . ?
C9 C11 1.419(10) 2_665 ?
C10 C11 1.384(9) . ?
C10 H10 0.9300 . ?
C11 O1 1.354(8) . ?
C11 C9 1.419(10) 2_665 ?
C12 O1 1.412(10) . ?
C12 C13 1.498(12) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.521(13) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.461(14) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C17 1.346(12) . ?
C16 S1 1.646(9) . ?
C16 H16 0.9300 . ?
C17 C18 1.517(9) . ?
C17 H17 0.9300 . ?
C18 C19 1.555(8) . ?
C18 H18 0.9300 . ?
C19 C20 1.472(9) . ?
C19 S1 1.712(6) . ?
C20 O2 1.253(7) . ?
C20 C21 1.424(8) . ?
C21 C22 1.363(9) . ?
C21 H21 0.9300 . ?
C22 O3 1.252(7) . ?
C22 C23 1.547(9) . ?
C23 F1 1.280(9) . ?
C23 F2 1.309(9) . ?
C23 F3 1.322(10) . ?
C24 C25 1.303(16) . ?
C24 S2 1.641(12) . ?
C24 H24 0.9300 . ?
C25 C26 1.491(13) . ?
C25 H25 0.9300 . ?
C26 C27 1.570(10) . ?
C26 H26 0.9300 . ?
C27 C28 1.450(10) . ?
C27 S2 1.673(8) . ?
C28 O5 1.262(8) . ?
C28 C29 1.423(10) . ?
C29 C30 1.354(10) . ?
C29 H29 0.9300 . ?
C30 O4 1.274(8) . ?
C30 C31 1.513(10) . ?
C31 F5 1.316(10) . ?
C31 F4 1.317(11) . ?
C31 F6 1.318(10) . ?
C35 C36 1.512(12) . ?
C35 C34 1.622(9) . ?
C35 S3 1.688(10) . ?
C36 O6 1.249(8) . ?
C36 C37 1.422(13) . ?
C37 C38 1.340(12) . ?
C37 H37 0.9300 . ?
C38 O7 1.280(9) . ?
C38 C39 1.531(12) . ?
C39 F9 1.286(12) . ?
C39 F7 1.295(15) . ?
C39 F8 1.337(12) . ?
C40 C41 1.31(2) . ?
C40 S4 1.651(13) . ?
C40 H40 0.9300 . ?
C41 C42 1.381(17) . ?
C41 H41 0.9300 . ?
C42 C43 1.532(11) . ?
C42 H42 0.9300 . ?
C43 C44 1.477(10) . ?
C43 S4 1.637(10) . ?
C44 O8 1.267(9) . ?
C44 C45 1.408(11) . ?
C45 C46 1.376(11) . ?
C45 H45 0.9300 . ?
C46 O9 1.262(8) . ?
C46 C47 1.510(12) . ?
C47 F11 1.324(12) . ?
C47 F12 1.325(10) . ?
C47 F10 1.340(13) . ?
Eu01 O7 2.373(4) . ?
Eu01 O8 2.382(5) . ?
Eu01 O3 2.391(4) . ?
Eu01 O2 2.392(4) . ?
Eu01 O6 2.395(5) . ?
Eu01 O4 2.395(4) . ?
Eu01 O5 2.400(4) . ?
Eu01 O9 2.431(5) . ?
C34 C33 1.497(12) . ?
C34 H34 0.9300 . ?
C33 C32 1.383(14) . ?
C33 H33 0.9300 . ?
C32 S3 1.635(10) . ?
C32 H32 0.9300 . ?

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_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 H1A 109.5 . . ?
N1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
N1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N1 C2 C3 120.7(6) . . ?
N1 C2 H2 119.7 . . ?
C3 C2 H2 119.7 . . ?
C2 C3 C4 121.2(6) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 H3 119.4 . . ?
C3 C4 C5 116.3(6) . . ?
C3 C4 C7 121.1(6) . . ?
C5 C4 C7 122.7(6) . . ?
C6 C5 C4 121.1(6) . . ?
C6 C5 H5 119.5 . . ?
C4 C5 H5 119.5 . . ?
N1 C6 C5 119.9(6) . . ?
N1 C6 H6 120.0 . . ?
C5 C6 H6 120.0 . . ?
C8 C7 C4 125.3(7) . . ?
C8 C7 H7 117.4 . . ?
C4 C7 H7 117.4 . . ?
C7 C8 C9 127.1(7) . . ?
C7 C8 H8 116.5 . . ?
C9 C8 H8 116.5 . . ?
C10 C9 C11 118.2(6) . 2_665 ?
C10 C9 C8 123.9(7) . . ?
C11 C9 C8 117.9(6) 2_665 . ?
C9 C10 C11 122.8(7) . . ?
C9 C10 H10 118.6 . . ?
C11 C10 H10 118.6 . . ?
O1 C11 C10 125.3(7) . . ?
O1 C11 C9 115.6(6) . 2_665 ?
C10 C11 C9 119.0(6) . 2_665 ?
O1 C12 C13 108.1(7) . . ?
O1 C12 H12A 110.1 . . ?
C13 C12 H12A 110.1 . . ?
O1 C12 H12B 110.1 . . ?
C13 C12 H12B 110.1 . . ?
H12A C12 H12B 108.4 . . ?
C12 C13 C14 112.6(8) . . ?
C12 C13 H13A 109.1 . . ?
C14 C13 H13A 109.1 . . ?
C12 C13 H13B 109.1 . . ?
C14 C13 H13B 109.1 . . ?
H13A C13 H13B 107.8 . . ?
C15 C14 C13 114.3(9) . . ?
C15 C14 H14A 108.7 . . ?
C13 C14 H14A 108.7 . . ?
C15 C14 H14B 108.7 . . ?
C13 C14 H14B 108.7 . . ?
H14A C14 H14B 107.6 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 S1 115.8(6) . . ?
C17 C16 H16 122.1 . . ?
S1 C16 H16 122.1 . . ?
C16 C17 C18 117.4(7) . . ?
C16 C17 H17 121.3 . . ?
C18 C17 H17 121.3 . . ?
C17 C18 C19 99.3(5) . . ?
C17 C18 H18 130.3 . . ?
C19 C18 H18 130.3 . . ?
C20 C19 C18 121.7(5) . . ?
C20 C19 S1 122.8(5) . . ?
C18 C19 S1 115.5(4) . . ?
O2 C20 C21 124.1(6) . . ?
O2 C20 C19 117.3(5) . . ?
C21 C20 C19 118.6(5) . . ?
C22 C21 C20 124.0(6) . . ?
C22 C21 H21 118.0 . . ?
C20 C21 H21 118.0 . . ?
O3 C22 C21 130.1(6) . . ?
O3 C22 C23 113.8(6) . . ?
C21 C22 C23 116.1(6) . . ?
F1 C23 F2 108.1(7) . . ?
F1 C23 F3 108.4(8) . . ?
F2 C23 F3 102.9(7) . . ?
F1 C23 C22 115.0(6) . . ?
F2 C23 C22 111.1(6) . . ?
F3 C23 C22 110.6(6) . . ?
C25 C24 S2 115.3(9) . . ?
C25 C24 H24 122.4 . . ?
S2 C24 H24 122.4 . . ?
C24 C25 C26 117.7(9) . . ?
C24 C25 H25 121.1 . . ?
C26 C25 H25 121.2 . . ?
C25 C26 C27 100.6(7) . . ?
C25 C26 H26 129.7 . . ?
C27 C26 H26 129.7 . . ?
C28 C27 C26 127.5(6) . . ?
C28 C27 S2 119.7(6) . . ?
C26 C27 S2 112.8(5) . . ?
O5 C28 C29 123.7(6) . . ?
O5 C28 C27 117.0(6) . . ?
C29 C28 C27 119.3(7) . . ?
C30 C29 C28 124.4(7) . . ?
C30 C29 H29 117.8 . . ?
C28 C29 H29 117.8 . . ?
O4 C30 C29 128.7(6) . . ?
O4 C30 C31 112.9(6) . . ?
C29 C30 C31 118.4(7) . . ?
F5 C31 F4 106.9(8) . . ?
F5 C31 F6 107.5(8) . . ?
F4 C31 F6 103.8(8) . . ?
F5 C31 C30 114.2(7) . . ?
F4 C31 C30 112.8(8) . . ?
F6 C31 C30 111.0(7) . . ?
C36 C35 C34 122.3(7) . . ?
C36 C35 S3 117.8(6) . . ?
C34 C35 S3 119.9(6) . . ?
O6 C36 C37 123.0(8) . . ?
O6 C36 C35 117.6(8) . . ?
C37 C36 C35 119.4(7) . . ?
C38 C37 C36 122.2(7) . . ?
C38 C37 H37 118.9 . . ?
C36 C37 H37 118.9 . . ?
O7 C38 C37 130.0(8) . . ?
O7 C38 C39 112.1(8) . . ?
C37 C38 C39 117.9(8) . . ?
F9 C39 F7 107.7(11) . . ?
F9 C39 F8 105.7(9) . . ?
F7 C39 F8 103.9(12) . . ?
F9 C39 C38 114.8(11) . . ?
F7 C39 C38 112.7(9) . . ?
F8 C39 C38 111.4(8) . . ?
C41 C40 S4 111.6(10) . . ?
C41 C40 H40 124.2 . . ?
S4 C40 H40 124.2 . . ?
C40 C41 C42 120.5(14) . . ?
C40 C41 H41 119.8 . . ?
C42 C41 H41 119.8 . . ?
C41 C42 C43 101.7(10) . . ?
C41 C42 H42 129.2 . . ?
C43 C42 H42 129.2 . . ?
C44 C43 C42 126.0(8) . . ?
C44 C43 S4 120.9(7) . . ?
C42 C43 S4 113.1(6) . . ?
O8 C44 C45 122.5(7) . . ?
O8 C44 C43 115.9(8) . . ?
C45 C44 C43 121.6(7) . . ?
C46 C45 C44 123.2(7) . . ?
C46 C45 H45 118.4 . . ?
C44 C45 H45 118.4 . . ?
O9 C46 C45 128.2(7) . . ?
O9 C46 C47 113.3(7) . . ?
C45 C46 C47 118.5(7) . . ?
F11 C47 F12 105.0(9) . . ?
F11 C47 F10 105.6(9) . . ?
F12 C47 F10 107.3(9) . . ?
F11 C47 C46 112.6(8) . . ?
F12 C47 C46 114.6(9) . . ?
F10 C47 C46 111.2(8) . . ?
O7 Eu01 O8 85.23(17) . . ?
O7 Eu01 O3 78.60(15) . . ?
O8 Eu01 O3 150.81(17) . . ?
O7 Eu01 O2 139.66(16) . . ?
O8 Eu01 O2 105.64(16) . . ?
O3 Eu01 O2 73.58(14) . . ?
O7 Eu01 O6 70.77(18) . . ?
O8 Eu01 O6 73.67(18) . . ?
O3 Eu01 O6 122.06(17) . . ?
O2 Eu01 O6 149.48(17) . . ?
O7 Eu01 O4 143.86(16) . . ?
O8 Eu01 O4 72.44(16) . . ?
O3 Eu01 O4 132.54(15) . . ?
O2 Eu01 O4 75.08(15) . . ?
O6 Eu01 O4 75.78(17) . . ?
O7 Eu01 O5 110.70(18) . . ?
O8 Eu01 O5 137.17(17) . . ?
O3 Eu01 O5 71.82(15) . . ?
O2 Eu01 O5 87.74(16) . . ?
O6 Eu01 O5 74.87(18) . . ?
O4 Eu01 O5 72.21(15) . . ?
O7 Eu01 O9 73.37(18) . . ?
O8 Eu01 O9 69.88(17) . . ?
O3 Eu01 O9 82.20(16) . . ?
O2 Eu01 O9 74.40(16) . . ?
O6 Eu01 O9 130.13(17) . . ?
O4 Eu01 O9 121.78(17) . . ?
O5 Eu01 O9 151.85(16) . . ?
C2 N1 C6 120.8(6) . . ?
C2 N1 C1 119.8(6) . . ?
C6 N1 C1 119.4(6) . . ?
C11 O1 C12 120.0(6) . . ?
C20 O2 Eu01 133.4(4) . . ?
C22 O3 Eu01 128.1(4) . . ?
C30 O4 Eu01 129.3(4) . . ?
C28 O5 Eu01 133.1(4) . . ?
C36 O6 Eu01 133.0(6) . . ?
C38 O7 Eu01 128.2(5) . . ?
C44 O8 Eu01 137.2(5) . . ?
C46 O9 Eu01 130.6(5) . . ?
C16 S1 C19 91.9(4) . . ?
C24 S2 C27 93.6(6) . . ?
C43 S4 C40 93.1(7) . . ?
C33 C34 C35 92.3(7) . . ?
C33 C34 H34 133.9 . . ?
C35 C34 H34 133.9 . . ?
C32 C33 C34 123.5(11) . . ?
C32 C33 H33 118.2 . . ?
C34 C33 H33 118.2 . . ?
C33 C32 S3 113.2(10) . . ?
C33 C32 H32 123.4 . . ?
S3 C32 H32 123.4 . . ?
C32 S3 C35 91.1(6) . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C2 C3 C4 1.8(11) . . . . ?
C2 C3 C4 C5 -0.8(10) . . . . ?
C2 C3 C4 C7 178.3(7) . . . . ?
C3 C4 C5 C6 1.0(10) . . . . ?
C7 C4 C5 C6 -178.1(7) . . . . ?
C4 C5 C6 N1 -2.2(11) . . . . ?
C3 C4 C7 C8 -178.7(7) . . . . ?
C5 C4 C7 C8 0.4(12) . . . . ?
C4 C7 C8 C9 -179.1(7) . . . . ?
C7 C8 C9 C10 -6.2(13) . . . . ?
C7 C8 C9 C11 173.0(8) . . . 2_665 ?
C11 C9 C10 C11 -0.2(13) 2_665 . . . ?
C8 C9 C10 C11 179.1(7) . . . . ?
C9 C10 C11 O1 -176.6(8) . . . . ?
C9 C10 C11 C9 0.2(13) . . . 2_665 ?
O1 C12 C13 C14 -178.2(10) . . . . ?
C12 C13 C14 C15 172.6(12) . . . . ?
S1 C16 C17 C18 -1.9(13) . . . . ?
C16 C17 C18 C19 1.5(10) . . . . ?
C17 C18 C19 C20 178.9(6) . . . . ?
C17 C18 C19 S1 -0.5(6) . . . . ?
C18 C19 C20 O2 6.2(9) . . . . ?
S1 C19 C20 O2 -174.5(5) . . . . ?
C18 C19 C20 C21 -174.9(6) . . . . ?
S1 C19 C20 C21 4.4(9) . . . . ?
O2 C20 C21 C22 7.0(11) . . . . ?
C19 C20 C21 C22 -171.8(6) . . . . ?
C20 C21 C22 O3 0.7(12) . . . . ?
C20 C21 C22 C23 179.0(6) . . . . ?
O3 C22 C23 F1 -172.9(8) . . . . ?
C21 C22 C23 F1 8.5(11) . . . . ?
O3 C22 C23 F2 63.9(9) . . . . ?
C21 C22 C23 F2 -114.7(8) . . . . ?
O3 C22 C23 F3 -49.7(9) . . . . ?
C21 C22 C23 F3 131.7(8) . . . . ?
S2 C24 C25 C26 1.7(17) . . . . ?
C24 C25 C26 C27 0.2(14) . . . . ?
C25 C26 C27 C28 178.0(8) . . . . ?
C25 C26 C27 S2 -2.0(8) . . . . ?
C26 C27 C28 O5 -173.4(7) . . . . ?
S2 C27 C28 O5 6.6(10) . . . . ?
C26 C27 C28 C29 6.8(11) . . . . ?
S2 C27 C28 C29 -173.2(6) . . . . ?
O5 C28 C29 C30 -2.0(12) . . . . ?
C27 C28 C29 C30 177.8(7) . . . . ?
C28 C29 C30 O4 -0.5(13) . . . . ?
C28 C29 C30 C31 178.7(8) . . . . ?
O4 C30 C31 F5 -178.5(8) . . . . ?
C29 C30 C31 F5 2.2(13) . . . . ?
O4 C30 C31 F4 -56.2(9) . . . . ?
C29 C30 C31 F4 124.5(8) . . . . ?
O4 C30 C31 F6 59.8(10) . . . . ?
C29 C30 C31 F6 -119.5(8) . . . . ?
C34 C35 C36 O6 -178.0(7) . . . . ?
S3 C35 C36 O6 1.3(10) . . . . ?
C34 C35 C36 C37 1.8(11) . . . . ?
S3 C35 C36 C37 -178.9(7) . . . . ?
O6 C36 C37 C38 6.1(14) . . . . ?
C35 C36 C37 C38 -173.7(8) . . . . ?
C36 C37 C38 O7 -5.4(16) . . . . ?
C36 C37 C38 C39 173.7(9) . . . . ?
O7 C38 C39 F9 179.0(10) . . . . ?
C37 C38 C39 F9 -0.2(15) . . . . ?
O7 C38 C39 F7 -57.3(12) . . . . ?
C37 C38 C39 F7 123.4(12) . . . . ?
O7 C38 C39 F8 59.0(13) . . . . ?
C37 C38 C39 F8 -120.3(11) . . . . ?
S4 C40 C41 C42 0.7(19) . . . . ?
C40 C41 C42 C43 1.3(16) . . . . ?
C41 C42 C43 C44 178.6(9) . . . . ?
C41 C42 C43 S4 -2.8(10) . . . . ?
C42 C43 C44 O8 168.4(7) . . . . ?
S4 C43 C44 O8 -10.1(10) . . . . ?
C42 C43 C44 C45 -12.5(12) . . . . ?
S4 C43 C44 C45 169.0(6) . . . . ?
O8 C44 C45 C46 -2.6(13) . . . . ?
C43 C44 C45 C46 178.4(8) . . . . ?
C44 C45 C46 O9 -1.7(14) . . . . ?
C44 C45 C46 C47 -179.7(8) . . . . ?
O9 C46 C47 F11 52.6(11) . . . . ?
C45 C46 C47 F11 -129.1(9) . . . . ?
O9 C46 C47 F12 172.5(9) . . . . ?
C45 C46 C47 F12 -9.1(14) . . . . ?
O9 C46 C47 F10 -65.6(10) . . . . ?
C45 C46 C47 F10 112.7(9) . . . . ?
C3 C2 N1 C6 -2.9(11) . . . . ?
C3 C2 N1 C1 179.1(7) . . . . ?
C5 C6 N1 C2 3.1(10) . . . . ?
C5 C6 N1 C1 -178.9(7) . . . . ?
C10 C11 O1 C12 -3.6(13) . . . . ?
C9 C11 O1 C12 179.6(8) 2_665 . . . ?
C13 C12 O1 C11 171.5(8) . . . . ?
C21 C20 O2 Eu01 11.0(9) . . . . ?
C19 C20 O2 Eu01 -170.2(4) . . . . ?
O7 Eu01 O2 C20 -69.5(6) . . . . ?
O8 Eu01 O2 C20 -170.8(5) . . . . ?
O3 Eu01 O2 C20 -21.2(5) . . . . ?
O6 Eu01 O2 C20 104.9(6) . . . . ?
O4 Eu01 O2 C20 122.7(6) . . . . ?
O5 Eu01 O2 C20 50.5(5) . . . . ?
O9 Eu01 O2 C20 -107.5(6) . . . . ?
C21 C22 O3 Eu01 -24.4(10) . . . . ?
C23 C22 O3 Eu01 157.3(5) . . . . ?
O7 Eu01 O3 C22 176.8(6) . . . . ?
O8 Eu01 O3 C22 119.1(6) . . . . ?
O2 Eu01 O3 C22 26.3(5) . . . . ?
O6 Eu01 O3 C22 -124.7(5) . . . . ?
O4 Eu01 O3 C22 -24.3(6) . . . . ?
O5 Eu01 O3 C22 -66.7(5) . . . . ?
O9 Eu01 O3 C22 102.3(5) . . . . ?
C29 C30 O4 Eu01 24.3(11) . . . . ?
C31 C30 O4 Eu01 -154.9(5) . . . . ?
O7 Eu01 O4 C30 72.3(6) . . . . ?
O8 Eu01 O4 C30 126.8(6) . . . . ?
O3 Eu01 O4 C30 -71.0(6) . . . . ?
O2 Eu01 O4 C30 -121.1(6) . . . . ?
O6 Eu01 O4 C30 49.7(5) . . . . ?
O5 Eu01 O4 C30 -28.6(5) . . . . ?
O9 Eu01 O4 C30 178.4(5) . . . . ?
C29 C28 O5 Eu01 -20.8(11) . . . . ?
C27 C28 O5 Eu01 159.4(5) . . . . ?
O7 Eu01 O5 C28 -113.5(6) . . . . ?
O8 Eu01 O5 C28 -7.4(7) . . . . ?
O3 Eu01 O5 C28 176.8(7) . . . . ?
O2 Eu01 O5 C28 103.3(6) . . . . ?
O6 Eu01 O5 C28 -51.3(6) . . . . ?
O4 Eu01 O5 C28 28.3(6) . . . . ?
O9 Eu01 O5 C28 153.2(6) . . . . ?
C37 C36 O6 Eu01 24.9(12) . . . . ?
C35 C36 O6 Eu01 -155.3(5) . . . . ?
O7 Eu01 O6 C36 -35.4(7) . . . . ?
O8 Eu01 O6 C36 55.2(7) . . . . ?
O3 Eu01 O6 C36 -97.6(7) . . . . ?
O2 Eu01 O6 C36 148.4(6) . . . . ?
O4 Eu01 O6 C36 130.7(7) . . . . ?
O5 Eu01 O6 C36 -154.2(7) . . . . ?
O9 Eu01 O6 C36 10.9(8) . . . . ?
C37 C38 O7 Eu01 -24.7(13) . . . . ?
C39 C38 O7 Eu01 156.1(6) . . . . ?
O8 Eu01 O7 C38 -41.2(7) . . . . ?
O3 Eu01 O7 C38 163.2(7) . . . . ?
O2 Eu01 O7 C38 -149.9(6) . . . . ?
O6 Eu01 O7 C38 33.1(7) . . . . ?
O4 Eu01 O7 C38 9.9(8) . . . . ?
O5 Eu01 O7 C38 97.8(7) . . . . ?
O9 Eu01 O7 C38 -111.6(7) . . . . ?
C45 C44 O8 Eu01 -20.1(12) . . . . ?
C43 C44 O8 Eu01 159.0(5) . . . . ?
O7 Eu01 O8 C44 -46.0(7) . . . . ?
O3 Eu01 O8 C44 10.2(9) . . . . ?
O2 Eu01 O8 C44 94.4(7) . . . . ?
O6 Eu01 O8 C44 -117.4(7) . . . . ?
O4 Eu01 O8 C44 162.8(8) . . . . ?
O5 Eu01 O8 C44 -161.6(7) . . . . ?
O9 Eu01 O8 C44 28.0(7) . . . . ?
C45 C46 O9 Eu01 25.8(12) . . . . ?
C47 C46 O9 Eu01 -156.0(6) . . . . ?
O7 Eu01 O9 C46 62.1(6) . . . . ?
O8 Eu01 O9 C46 -28.9(6) . . . . ?
O3 Eu01 O9 C46 142.5(7) . . . . ?
O2 Eu01 O9 C46 -142.5(7) . . . . ?
O6 Eu01 O9 C46 16.7(7) . . . . ?
O4 Eu01 O9 C46 -81.6(7) . . . . ?
O5 Eu01 O9 C46 165.0(6) . . . . ?
C17 C16 S1 C19 1.3(9) . . . . ?
C20 C19 S1 C16 -179.7(6) . . . . ?
C18 C19 S1 C16 -0.4(6) . . . . ?
C25 C24 S2 C27 -2.5(12) . . . . ?
C28 C27 S2 C24 -177.4(8) . . . . ?
C26 C27 S2 C24 2.6(7) . . . . ?
C44 C43 S4 C40 -178.4(7) . . . . ?
C42 C43 S4 C40 2.9(7) . . . . ?
C41 C40 S4 C43 -2.1(12) . . . . ?
C36 C35 C34 C33 178.2(8) . . . . ?
S3 C35 C34 C33 -1.1(8) . . . . ?
C35 C34 C33 C32 -0.7(13) . . . . ?
C34 C33 C32 S3 2.3(17) . . . . ?
C33 C32 S3 C35 -2.3(11) . . . . ?
C36 C35 S3 C32 -177.3(7) . . . . ?
C34 C35 S3 C32 2.0(8) . . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         2.832
_refine_diff_density_min         -1.851
_refine_diff_density_rms         0.123


#==================================================
