# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# 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_exp_244_auto
_database_code_depnum_ccdc_archive 'CCDC 2150922'
loop_
_audit_author_name
_audit_author_address
'Marzio Rancan'
;ICMATE CNR
Italy
;
_audit_update_record             
;
2022-02-08 deposited with the CCDC.	2022-06-20 downloaded from the CCDC.
;
_audit_creation_date             2022-01-25
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H21 F6 N O6'
_chemical_formula_sum            'C25 H21 F6 N O6'
_chemical_formula_weight         545.43
_chemical_melting_point          ?
_chemical_oxdiff_formula         'O6 N1 F6 C20 H20'
_chemical_oxdiff_usercomment     'DPA EtOAc/CyC6 evaporazione'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   19.326(3)
_cell_length_b                   5.6604(10)
_cell_length_c                   24.603(4)
_cell_angle_alpha                90
_cell_angle_beta                 112.609(19)
_cell_angle_gamma                90
_cell_volume                     2484.6(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    920
_cell_measurement_temperature    296.0(3)
_cell_measurement_theta_max      68.0050
_cell_measurement_theta_min      4.9270
_shelx_estimated_absorpt_T_max   0.988
_shelx_estimated_absorpt_T_min   0.882
_exptl_absorpt_coefficient_mu    1.167
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.75018
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.103a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.458
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1120
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0603
_diffrn_reflns_av_unetI/netI     0.0965
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8649
_diffrn_reflns_point_group_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        58.921
_diffrn_reflns_theta_max         58.921
_diffrn_reflns_theta_min         3.692
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      296.0(3)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0637
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -36.00  -9.00   0.10   10.00    --  -34.12  18.00 164.00  270
  2  ω    -72.00 -47.00   0.10   10.00    --  -34.12 -18.00  -3.00  250
  3  ω      9.00  34.00   0.10   10.00    --   34.12 -18.00  -3.00  250
  4  ω     48.00  99.00   0.10   10.00    --   34.12  18.00 164.00  510
  5  ω     34.00  97.00   0.10   30.00    --  103.52 -18.00  -3.00  630
  6  ω     95.00 174.00   0.10   30.00    --  103.52  18.00 164.00  790
  7  ω   -102.00 -37.00   0.10   10.00    --  -34.12 -57.00 -60.00  650
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0171831000
_diffrn_orient_matrix_UB_12      0.0113373000
_diffrn_orient_matrix_UB_13      0.0665466000
_diffrn_orient_matrix_UB_21      -0.0823883000
_diffrn_orient_matrix_UB_22      0.0641382000
_diffrn_orient_matrix_UB_23      -0.0133074000
_diffrn_orient_matrix_UB_31      -0.0194215000
_diffrn_orient_matrix_UB_32      -0.2635709000
_diffrn_orient_matrix_UB_33      -0.0004001000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2000
_reflns_number_total             3496
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.103a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.103a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.103a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.314
_refine_diff_density_min         -0.218
_refine_diff_density_rms         0.055
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.944
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         3496
_refine_ls_number_restraints     343
_refine_ls_R_factor_all          0.1707
_refine_ls_R_factor_gt           0.0930
_refine_ls_restrained_S_all      0.917
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0597P)²+11.1873P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1935
_refine_ls_wR_factor_ref         0.2194
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 C25B-C24 \\sim C25A-C24
 with sigma of 0.02
 C25A-F4A \\sim C25A-F5A \\sim C25A-F6A
 with sigma of 0.02
 C25B-F4B \\sim C25B-F5B \\sim C25B-F6B
 with sigma of 0.02
 F4B-F5B \\sim F4B-F6B \\sim F5B-F6B
 with sigma of 0.04
 F4A-F5A \\sim F4A-F6A \\sim F5A-F6A
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
Uanis(F4B) = Uanis(F4A)
Uanis(F6A) = Uanis(F6B)
Uanis(C25B) = Uanis(C25A)
Uanis(F5A) = Uanis(F5B)
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(F4B)=Sof(F5B)=Sof(F6B)=Sof(C25B)=1-FVAR(1)
 Sof(C25A)=Sof(F4A)=Sof(F5A)=Sof(F6A)=FVAR(1)
6.a Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C18(H18), C9(H9), C8(H8), C19(H19), C17(H17), C20(H20),
 C4(H4A), C23(H23)
6.b Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C13(H13A,H13B,H13C)
6.c Idealised tetrahedral OH refined as rotating group:
 O4(H4), O2(H2)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O6 O 0.1881(2) 0.0100(9) 0.57361(19) 0.0632(13) Uani 1 1 d . . . . .
O5 O 0.0825(2) 0.2174(9) 0.52522(19) 0.0678(15) Uani 1 1 d . . . . .
O4 O 0.4855(3) -0.3023(11) 0.5285(2) 0.0827(17) Uani 1 1 d . . . . .
H4 H 0.526996 -0.361857 0.544984 0.124 Uiso 1 1 calc R U . . .
O3 O 0.6261(3) -0.3063(11) 0.5907(2) 0.0888(18) Uani 1 1 d . . . . .
F2 F -0.0750(3) 1.4095(11) 0.2773(2) 0.126(2) Uani 1 1 d . . . . .
N1 N 0.1826(3) 0.2219(10) 0.4970(2) 0.0481(14) Uani 1 1 d . . . . .
F1 F -0.0656(3) 1.5045(10) 0.1977(2) 0.121(2) Uani 1 1 d . . . . .
F3 F -0.1352(3) 1.2253(12) 0.1990(3) 0.138(2) Uani 1 1 d . . . . .
F4B F 0.6615(3) 0.1221(17) 0.6975(3) 0.115(2) Uani 0.768(7) 1 d D . P A 2
C10 C 0.1521(3) 0.3813(12) 0.4481(2) 0.0458(15) Uani 1 1 d . . . . .
C6 C 0.0689(3) 0.6881(13) 0.3952(3) 0.0578(19) Uani 1 1 d . . . . .
H6 H 0.030800 0.794218 0.392117 0.069 Uiso 1 1 calc R U . . .
C7 C 0.0936(3) 0.5328(12) 0.4421(3) 0.0528(17) Uani 1 1 d . . . . .
H7 H 0.071131 0.530500 0.469436 0.063 Uiso 1 1 calc R U . . .
C21 C 0.4035(3) -0.0269(12) 0.5412(2) 0.0454(15) Uani 1 1 d . . . . .
C11 C 0.1442(3) 0.1533(13) 0.5319(3) 0.0515(17) Uani 1 1 d . . . . .
C18 C 0.3899(3) 0.1854(13) 0.5616(3) 0.0522(17) Uani 1 1 d . . . . .
H18 H 0.430112 0.275416 0.586064 0.063 Uiso 1 1 calc R U . . .
C5 C 0.0995(3) 0.6894(13) 0.3524(2) 0.0530(17) Uani 1 1 d . . . . .
C9 C 0.1833(3) 0.3819(13) 0.4059(3) 0.0534(17) Uani 1 1 d . . . . .
H9 H 0.222058 0.278113 0.409403 0.064 Uiso 1 1 calc R U . . .
C22 C 0.4792(3) -0.1222(14) 0.5578(3) 0.0538(17) Uani 1 1 d . . . . .
C12 C 0.1642(3) -0.0826(13) 0.6203(3) 0.0529(16) Uani 1 1 d . . . . .
F5B F 0.7248(4) 0.0669(18) 0.6436(3) 0.118(3) Uani 0.768(7) 1 d D . P A 2
C1 C -0.0702(5) 1.3237(17) 0.2285(3) 0.077(2) Uani 1 1 d . . . . .
C8 C 0.1571(3) 0.5355(13) 0.3588(3) 0.0553(18) Uani 1 1 d . . . . .
H8 H 0.178799 0.534799 0.330958 0.066 Uiso 1 1 calc R U . . .
C19 C 0.2705(3) -0.0736(13) 0.4892(3) 0.0529(17) Uani 1 1 d . . . . .
H19 H 0.230066 -0.162056 0.464432 0.064 Uiso 1 1 calc R U . . .
C16 C 0.2579(3) 0.1362(13) 0.5111(2) 0.0463(15) Uani 1 1 d . . . . .
C17 C 0.3177(3) 0.2693(12) 0.5468(3) 0.0487(16) Uani 1 1 d . . . . .
H17 H 0.309569 0.414760 0.560916 0.058 Uiso 1 1 calc R U . . .
C20 C 0.3424(3) -0.1559(13) 0.5033(3) 0.0531(17) Uani 1 1 d . . . . .
H20 H 0.350353 -0.297889 0.487593 0.064 Uiso 1 1 calc R U . . .
C4 C 0.0189(4) 1.0227(14) 0.2926(3) 0.063(2) Uani 1 1 d . . . . .
H4A H 0.001558 1.057574 0.322065 0.075 Uiso 1 1 calc R U . . .
F6B F 0.7182(4) -0.1993(18) 0.7020(3) 0.142(3) Uani 0.768(7) 1 d D . P A 2
O2 O 0.0991(4) 0.8082(14) 0.2615(2) 0.115(3) Uani 1 1 d . . . . .
H2 H 0.085668 0.913255 0.236611 0.173 Uiso 1 1 calc R U . . .
O1 O 0.0138(3) 1.1229(13) 0.1990(2) 0.111(2) Uani 1 1 d . . . . .
C23 C 0.5421(3) -0.0320(14) 0.6030(3) 0.063(2) Uani 1 1 d . . . . .
H23 H 0.537050 0.097705 0.624379 0.075 Uiso 1 1 calc R U . . .
C24 C 0.6117(4) -0.1320(16) 0.6165(3) 0.067(2) Uani 1 1 d D . . . .
C25B C 0.6793(5) -0.035(2) 0.6657(4) 0.096(2) Uani 0.768(7) 1 d D . P A 2
C14 C 0.0918(4) -0.2166(13) 0.5938(3) 0.065(2) Uani 1 1 d . . . . .
H14A H 0.051998 -0.109129 0.573013 0.098 Uiso 1 1 calc R U . . .
H14B H 0.081041 -0.292941 0.624539 0.098 Uiso 1 1 calc R U . . .
H14C H 0.096109 -0.333449 0.567012 0.098 Uiso 1 1 calc R U . . .
C15 C 0.2289(4) -0.2461(15) 0.6538(3) 0.080(2) Uani 1 1 d . . . . .
H15A H 0.231466 -0.371058 0.628226 0.120 Uiso 1 1 calc R U . . .
H15B H 0.221093 -0.312287 0.686904 0.120 Uiso 1 1 calc R U . . .
H15C H 0.274943 -0.158522 0.667337 0.120 Uiso 1 1 calc R U . . .
C13 C 0.1589(4) 0.1210(14) 0.6582(3) 0.075(2) Uani 1 1 d . . . . .
H13A H 0.203904 0.213573 0.669904 0.113 Uiso 1 1 calc R U . . .
H13B H 0.152734 0.060860 0.692514 0.113 Uiso 1 1 calc R U . . .
H13C H 0.116642 0.217948 0.636131 0.113 Uiso 1 1 calc R U . . .
C25A C 0.6780(12) -0.011(5) 0.6619(10) 0.096(2) Uani 0.232(7) 1 d D . P A 1
F4A F 0.6858(12) 0.221(5) 0.6568(10) 0.115(2) Uani 0.232(7) 1 d D . P A 1
F5A F 0.7451(13) -0.095(6) 0.6690(12) 0.118(3) Uani 0.232(7) 1 d D . P A 1
F6A F 0.6785(16) -0.030(7) 0.7158(11) 0.142(3) Uani 0.232(7) 1 d D . P A 1
C3 C 0.0711(4) 0.8467(15) 0.3011(3) 0.064(2) Uani 1 1 d . . . . .
C2 C -0.0080(4) 1.1491(15) 0.2398(3) 0.067(2) 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
O6 C11 1.328(7) . ?
O6 C12 1.488(7) . ?
O5 C11 1.197(7) . ?
O4 H4 0.8200 . ?
O4 C22 1.282(8) . ?
O3 C24 1.262(9) . ?
F2 C1 1.330(9) . ?
N1 C10 1.436(7) . ?
N1 C11 1.388(7) . ?
N1 C16 1.444(7) . ?
F1 C1 1.297(9) . ?
F3 C1 1.309(9) . ?
F4B C25B 1.315(11) . ?
C10 C7 1.380(8) . ?
C10 C9 1.387(8) . ?
C6 H6 0.9300 . ?
C6 C7 1.382(8) . ?
C6 C5 1.392(8) . ?
C7 H7 0.9300 . ?
C21 C18 1.367(9) . ?
C21 C22 1.463(8) . ?
C21 C20 1.395(8) . ?
C18 H18 0.9300 . ?
C18 C17 1.385(8) . ?
C5 C8 1.375(9) . ?
C5 C3 1.468(9) . ?
C9 H9 0.9300 . ?
C9 C8 1.381(8) . ?
C22 C23 1.390(9) . ?
C12 C14 1.503(9) . ?
C12 C15 1.518(9) . ?
C12 C13 1.510(9) . ?
F5B C25B 1.331(11) . ?
C1 C2 1.497(10) . ?
C8 H8 0.9300 . ?
C19 H19 0.9300 . ?
C19 C16 1.364(9) . ?
C19 C20 1.379(8) . ?
C16 C17 1.376(8) . ?
C17 H17 0.9300 . ?
C20 H20 0.9300 . ?
C4 H4A 0.9300 . ?
C4 C3 1.375(9) . ?
C4 C2 1.397(9) . ?
F6B C25B 1.309(11) . ?
O2 H2 0.8200 . ?
O2 C3 1.302(8) . ?
O1 C2 1.238(8) . ?
C23 H23 0.9300 . ?
C23 C24 1.377(9) . ?
C24 C25B 1.502(12) . ?
C24 C25A 1.50(2) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C25A F4A 1.34(2) . ?
C25A F5A 1.33(2) . ?
C25A F6A 1.33(2) . ?

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
C11 O6 C12 121.2(5) . . ?
C22 O4 H4 109.5 . . ?
C10 N1 C16 117.6(5) . . ?
C11 N1 C10 123.2(5) . . ?
C11 N1 C16 119.1(5) . . ?
C7 C10 N1 122.5(5) . . ?
C7 C10 C9 119.5(6) . . ?
C9 C10 N1 118.1(6) . . ?
C7 C6 H6 119.2 . . ?
C7 C6 C5 121.6(6) . . ?
C5 C6 H6 119.2 . . ?
C10 C7 C6 119.4(6) . . ?
C10 C7 H7 120.3 . . ?
C6 C7 H7 120.3 . . ?
C18 C21 C22 122.3(6) . . ?
C18 C21 C20 118.2(6) . . ?
C20 C21 C22 119.5(6) . . ?
O6 C11 N1 108.4(5) . . ?
O5 C11 O6 126.7(6) . . ?
O5 C11 N1 124.9(6) . . ?
C21 C18 H18 119.3 . . ?
C21 C18 C17 121.4(6) . . ?
C17 C18 H18 119.3 . . ?
C6 C5 C3 121.8(6) . . ?
C8 C5 C6 118.1(6) . . ?
C8 C5 C3 120.1(6) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 C10 120.4(6) . . ?
C8 C9 H9 119.8 . . ?
O4 C22 C21 115.8(6) . . ?
O4 C22 C23 120.0(6) . . ?
C23 C22 C21 124.1(6) . . ?
O6 C12 C14 110.9(5) . . ?
O6 C12 C15 101.5(5) . . ?
O6 C12 C13 108.8(6) . . ?
C14 C12 C15 111.3(6) . . ?
C14 C12 C13 112.3(6) . . ?
C13 C12 C15 111.6(6) . . ?
F2 C1 C2 113.8(6) . . ?
F1 C1 F2 106.5(8) . . ?
F1 C1 F3 106.1(7) . . ?
F1 C1 C2 113.5(7) . . ?
F3 C1 F2 105.7(7) . . ?
F3 C1 C2 110.6(8) . . ?
C5 C8 C9 121.0(6) . . ?
C5 C8 H8 119.5 . . ?
C9 C8 H8 119.5 . . ?
C16 C19 H19 119.7 . . ?
C16 C19 C20 120.6(6) . . ?
C20 C19 H19 119.7 . . ?
C19 C16 N1 120.9(6) . . ?
C19 C16 C17 119.8(6) . . ?
C17 C16 N1 119.3(6) . . ?
C18 C17 H17 120.2 . . ?
C16 C17 C18 119.6(6) . . ?
C16 C17 H17 120.2 . . ?
C21 C20 H20 119.9 . . ?
C19 C20 C21 120.3(6) . . ?
C19 C20 H20 119.9 . . ?
C3 C4 H4A 119.9 . . ?
C3 C4 C2 120.1(6) . . ?
C2 C4 H4A 119.9 . . ?
C3 O2 H2 109.5 . . ?
C22 C23 H23 119.5 . . ?
C24 C23 C22 121.0(7) . . ?
C24 C23 H23 119.5 . . ?
O3 C24 C23 125.7(7) . . ?
O3 C24 C25B 113.6(7) . . ?
O3 C24 C25A 116.2(11) . . ?
C23 C24 C25B 120.7(8) . . ?
C23 C24 C25A 117.8(12) . . ?
F4B C25B F5B 108.4(10) . . ?
F4B C25B C24 112.4(8) . . ?
F5B C25B C24 109.7(8) . . ?
F6B C25B F4B 106.8(9) . . ?
F6B C25B F5B 106.8(9) . . ?
F6B C25B C24 112.6(9) . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
F4A C25A C24 118.3(19) . . ?
F5A C25A C24 116(2) . . ?
F5A C25A F4A 103.1(19) . . ?
F6A C25A C24 112(2) . . ?
F6A C25A F4A 103(2) . . ?
F6A C25A F5A 101.9(19) . . ?
C4 C3 C5 125.4(6) . . ?
O2 C3 C5 114.6(7) . . ?
O2 C3 C4 119.9(6) . . ?
C4 C2 C1 119.7(7) . . ?
O1 C2 C1 115.4(6) . . ?
O1 C2 C4 124.8(7) . . ?

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
O4 C22 C23 C24 0.6(11) . . . . ?
O3 C24 C25B F4B -170.4(8) . . . . ?
O3 C24 C25B F5B 68.9(11) . . . . ?
O3 C24 C25B F6B -49.8(11) . . . . ?
O3 C24 C25A F4A 125.4(19) . . . . ?
O3 C24 C25A F5A 2(2) . . . . ?
O3 C24 C25A F6A -115.1(19) . . . . ?
F2 C1 C2 C4 24.7(12) . . . . ?
F2 C1 C2 O1 -157.9(8) . . . . ?
N1 C10 C7 C6 177.5(6) . . . . ?
N1 C10 C9 C8 -178.5(6) . . . . ?
N1 C16 C17 C18 178.4(5) . . . . ?
F1 C1 C2 C4 146.7(7) . . . . ?
F1 C1 C2 O1 -35.9(11) . . . . ?
F3 C1 C2 C4 -94.1(9) . . . . ?
F3 C1 C2 O1 83.3(10) . . . . ?
C10 N1 C11 O6 -178.7(6) . . . . ?
C10 N1 C11 O5 0.3(11) . . . . ?
C10 N1 C16 C19 -94.3(7) . . . . ?
C10 N1 C16 C17 85.3(7) . . . . ?
C10 C9 C8 C5 -0.5(10) . . . . ?
C6 C5 C8 C9 0.8(10) . . . . ?
C6 C5 C3 C4 7.4(11) . . . . ?
C6 C5 C3 O2 -172.2(7) . . . . ?
C7 C10 C9 C8 1.1(10) . . . . ?
C7 C6 C5 C8 -1.8(11) . . . . ?
C7 C6 C5 C3 177.3(7) . . . . ?
C21 C18 C17 C16 0.5(9) . . . . ?
C21 C22 C23 C24 179.5(7) . . . . ?
C11 O6 C12 C14 58.1(8) . . . . ?
C11 O6 C12 C15 176.3(6) . . . . ?
C11 O6 C12 C13 -65.9(8) . . . . ?
C11 N1 C10 C7 20.0(10) . . . . ?
C11 N1 C10 C9 -160.4(6) . . . . ?
C11 N1 C16 C19 87.7(7) . . . . ?
C11 N1 C16 C17 -92.7(7) . . . . ?
C18 C21 C22 O4 -169.1(6) . . . . ?
C18 C21 C22 C23 12.0(10) . . . . ?
C18 C21 C20 C19 -2.5(9) . . . . ?
C5 C6 C7 C10 2.5(10) . . . . ?
C9 C10 C7 C6 -2.1(10) . . . . ?
C22 C21 C18 C17 -178.0(6) . . . . ?
C22 C21 C20 C19 177.2(6) . . . . ?
C22 C23 C24 O3 0.7(12) . . . . ?
C22 C23 C24 C25B -179.5(8) . . . . ?
C22 C23 C24 C25A 174.3(13) . . . . ?
C12 O6 C11 O5 -2.5(11) . . . . ?
C12 O6 C11 N1 176.4(5) . . . . ?
C8 C5 C3 C4 -173.5(7) . . . . ?
C8 C5 C3 O2 6.9(11) . . . . ?
C19 C16 C17 C18 -1.9(9) . . . . ?
C16 N1 C10 C7 -158.0(6) . . . . ?
C16 N1 C10 C9 21.7(9) . . . . ?
C16 N1 C11 O6 -0.8(8) . . . . ?
C16 N1 C11 O5 178.2(7) . . . . ?
C16 C19 C20 C21 1.1(10) . . . . ?
C20 C21 C18 C17 1.7(9) . . . . ?
C20 C21 C22 O4 11.3(9) . . . . ?
C20 C21 C22 C23 -167.7(7) . . . . ?
C20 C19 C16 N1 -179.2(6) . . . . ?
C20 C19 C16 C17 1.1(9) . . . . ?
C23 C24 C25B F4B 9.7(13) . . . . ?
C23 C24 C25B F5B -111.0(10) . . . . ?
C23 C24 C25B F6B 130.3(10) . . . . ?
C23 C24 C25A F4A -49(2) . . . . ?
C23 C24 C25A F5A -172.3(17) . . . . ?
C23 C24 C25A F6A 71(2) . . . . ?
C3 C5 C8 C9 -178.3(7) . . . . ?
C3 C4 C2 C1 174.0(7) . . . . ?
C3 C4 C2 O1 -3.2(13) . . . . ?
C2 C4 C3 C5 -175.0(7) . . . . ?
C2 C4 C3 O2 4.5(12) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.238
_oxdiff_exptl_absorpt_empirical_full_min 0.819
####################################################################### 
# 
# 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_mo_jtpad_dpa_0m
_database_code_depnum_ccdc_archive 'CCDC 2150923'
loop_
_audit_author_name
_audit_author_address
'Marzio Rancan'
;ICMATE CNR
Italy
;
_audit_update_record             
;
2022-02-14 deposited with the CCDC.	2022-06-20 downloaded from the CCDC.
;
_audit_creation_date             2022-02-14
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
loop_
_audit_author_email
marzio.rancan@unipd.it
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C104 H88 Eu2 F24 N4 O26, C100 H80 Eu2 F24 N4 O26, C2 H6 O, 4(C8 H20 N), C2 H5 O'
_chemical_formula_sum            'C240 H259 Eu4 F48 N12 O54'
_chemical_formula_weight         5695.42
_chemical_melting_point          ?
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'
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'
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   18.0830(10)
_cell_length_b                   25.6567(16)
_cell_length_c                   32.1270(19)
_cell_angle_alpha                98.535(2)
_cell_angle_beta                 104.813(2)
_cell_angle_gamma                103.262(2)
_cell_volume                     13681.9(14)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9386
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      30.46
_cell_measurement_theta_min      2.53
_shelx_estimated_absorpt_T_max   0.990
_shelx_estimated_absorpt_T_min   0.915
_exptl_absorpt_coefficient_mu    1.008
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.382
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             5798
_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method 
'The material was recrystallised from ethanol by slow evaporation'
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1681
_diffrn_reflns_av_unetI/netI     0.0624
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            831115
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         1.982
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                43028
_reflns_number_total             55848
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         3.322
_refine_diff_density_min         -3.224
_refine_diff_density_rms         0.150
_refine_ls_extinction_coef       0.00034(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3266
_refine_ls_number_reflns         55848
_refine_ls_number_restraints     1451
_refine_ls_R_factor_all          0.1002
_refine_ls_R_factor_gt           0.0776
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0836P)²+95.8470P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1815
_refine_ls_wR_factor_ref         0.1945
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Restrained distances
 O17-H17
 0.87 with sigma of 0.01
 Eu2-H17
 3.086712 with sigma of 0.02
 C102-H17
 1.908153 with sigma of 0.02
 C179-F32B \\sim C179-F33A \\sim C179-F32A \\sim C179-F31A \\sim C179-F33B
\\sim C179-F31B
 with sigma of 0.02
 C1Q-F33A \\sim C1Q-F32A \\sim C1Q-F31A
 with sigma of 0.02
 C1B-C1H \\sim C229-C228 \\sim C1G-C1F \\sim C225-C224 \\sim C231-C230 \\sim
C1D-C1C \\sim C1I-C1E ~
 C227-C226
 with sigma of 0.02
 C179-F32B \\sim C179-F33B \\sim C179-F31B
 with sigma of 0.02
 N9-C230 \\sim N9-C1C \\sim N9-C1E \\sim N9-C226 \\sim N9-C228 \\sim N9-C1B
 with sigma of 0.02
 C1-F3B \\sim C1-F1B \\sim C1-F2B \\sim C1-F2A \\sim C1-F3A \\sim C1-F1A
 with sigma of 0.02
 F3B-F1B \\sim F3B-F2B \\sim F2A-F3A \\sim F2A-F1A
 with sigma of 0.04
 C129-F37B \\sim C129-F38B \\sim C129-F38A \\sim C129-F37A \\sim C129-F39
 with sigma of 0.02
 F32B-F33B \\sim F32B-F31B \\sim F33A-F32A \\sim F33A-F31A \\sim F32A-F31A
\\sim F33B-F31B
 with sigma of 0.04
 N10-C236 \\sim N10-C1L \\sim N10-C234 \\sim N10-C1K \\sim N10-C232 \\sim
N10-C1A \\sim N10-C238 \\sim N10-
 C1J
 with sigma of 0.02
 C237-C236 \\sim C1O-C1L \\sim C235-C234 \\sim C1N-C1K \\sim C239-C238 \\sim
C1M-C1J \\sim C233-C1A ~
 C1P-C232
 with sigma of 0.02
 F38B-F37B \\sim F38A-F37A
 with sigma of 0.02
 F8A-C51 \\sim F8B-C51 \\sim F7B-C51 \\sim F7A-C51 \\sim F9-C51
 with sigma of 0.02
 F7B-F8B \\sim F8A-F7A
 with sigma of 0.02
 O50-C240 \\sim O50-C190
 with sigma of 0.02
 O36B-C130 \\sim O36A-C130
 with sigma of 0.02
 Eu4-O36B \\sim Eu4-O36A
 with sigma of 0.02
 F33A-F32A \\sim F33A-F31A \\sim F32A-F31A
 with sigma of 0.04
 C180-C179 \\sim C1Q-C180
 with sigma of 0.02
 F32B-F33B \\sim F32B-F31B \\sim F33B-F31B
 with sigma of 0.04
3. Rigid bond restraints
 C190, C240
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C190 \\sim C240: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 2A
Uanis(F2B) = Uanis(F2A) = Uanis(F1A) = Uanis(F1B) = Uanis(F3B) = Uanis(F3A)
Uanis(C1N) = Uanis(C235) = Uanis(C234) = Uanis(C238) = Uanis(C1K) = Uanis(C239)
= Uanis(C1M) = Uanis(C237) = Uanis(C1O) = Uanis(C232) = Uanis(C236) =
Uanis(C233) = Uanis(C1P) = Uanis(C1A) = Uanis(C1L)
Uanis(F32B) = Uanis(F32A) = Uanis(F31B) = Uanis(F31A) = Uanis(F33B) =
Uanis(F33A)
Uanis(F39) = Uanis(F38B) = Uanis(F38A) = Uanis(F37A) = Uanis(F37B)
Uanis(F32B) = Uanis(F32A) = Uanis(F31B) = Uanis(F31A) = Uanis(F33A) =
Uanis(F33B) = Uanis(F38B) = Uanis(F38A) = Uanis(F37B) = Uanis(F37A) = Uanis(F39)
Uanis(F7B) = Uanis(F7A) = Uanis(F8A) = Uanis(F8B)
Uanis(O36A) = Uanis(O36B)
Uanis(F7A) = Uanis(F7B) = Uanis(F8A) = Uanis(F8B) = Uanis(F9)
Uanis(C228) = Uanis(C227) = Uanis(C1I) = Uanis(C1E) = Uanis(C226) = Uanis(C229)
= Uanis(C1H) = Uanis(C1B) = Uanis(C1G) = Uanis(C225) = Uanis(C1D) = Uanis(C231)
= Uanis(C230) = Uanis(C1F) = Uanis(C1C) = Uanis(C224)
Uanis(C240) = Uanis(C190)
Uanis(C154) = Uanis(C203)
Uanis(C179) = Uanis(C1Q) = Uanis(C180)
5. Rigid body (RIGU) restrains
 C123, C240, C86, C110, C07T, C122, C219, C79, C237, C124, C17, C150, C99, C4,
 C1B, C107, C24, C108, C185, C82, C68, C106, C91, C146, C118, C202, C224, C152,
 C226, C114, C1J, C119, C87, C113, C188, C112, C97, C178, C61, C148, C94, C54,
 C11, C45, C50, C111, C37, C78, C102, C120, C207, C151, C39, C182, C234, C53,
 C192, C20, C229, C76, C1F, C172, C1M, C44, C32, C201, C140, C149, C187, C47,
 C139, C183, C66, C173, C28, C5, C98, C170, C64, C105, C15, C141, C161, C153,
 C180, C147, C101, C109, C14, C43, C210, C127, C211, C70, C214, C171, C213, C41,
  C89, C46, C40, C206, C166, C177, C222, C174, C129, C176, C203, C167, C84,
 C235, C96, C216, C8, C1A, C164, C204, C196, C1D, C121, C1H, C56, C1L, C19, C1O,
  C125, C242, C132, C18, C21, C34, C83, C165, C92, C159, C77, C9, C81, C138,
 C100, C162, C95, C67, C55, C58, C128, C29, C186, C197, C16, C35, C163, C59,
 C42, C218, C133, C25, C199, C233, C7, C239, C145, C143, C134, C158, C48, C189,
 C169, C12, C156, C13, C135, C154, C75, C142, C136, C73, C93, C63, C227, C51,
 C144, C131, C6, C65, C175, C103, C126, C62, C80, C115, C155, C179, C231, C130,
 C72, C74, C117, C38, C57, C88, C52, C116, C71, C26, C60, C230, C225, C215, C49,
  C190, C195, C220, C200, C238, C90, C221, C2, C236, C10, C208, C184, C212,
 C160, C168, C85, C191, C1, C223, C36, C193, C104, C228, C33, C217, C3, C205,
 C137, C1C, C69, C1E, C181, C1G, C23, C1I, C22, C1K, C27, C232, C31, C1N, C198,
 C1P, C194, C241, C157, C243, C30
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 F29, F27, F33A, F30, F6, F28, F8A, F13, F32B, F40, F38B, F34, F37A, F42, F31B,
  F36, F47, F9, F4, F44, F2B, F35, F8B, F41, F31A, F5, F3A, F12, F25, F45, F18,
 F48, F21, F14, F22, F15, F20, F10, F17, F46, F37B, F23, F7B, F11, F1B, F19,
 F3B, F16, F32A, F24, F38A, F26, F1A, F43, F2A, F33B, F7A, F39
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 F7A, F7B, F8A, F8B
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C208, C210, C214, C213, C211, C215, C212, C209
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 N5, C183, C109, C196, C186, C199, C195, C184, C198, C194, C187, C188, C197,
 C185
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Sof(C227)=Sof(H22A)=Sof(H22B)=Sof(H22C)=Sof(C231)=Sof(H23U)=Sof(H23V)=
 Sof(H23W)=Sof(C225)=Sof(H22D)=Sof(H22E)=Sof(H22F)=Sof(C230)=Sof(H23X)=
 Sof(H23Y)=Sof(C224)=Sof(H22G)=Sof(H22H)=Sof(C226)=Sof(H22I)=Sof(H22J)=
 Sof(C228)=Sof(H22K)=Sof(H22L)=Sof(C229)=Sof(H22M)=Sof(H22N)=Sof(H22O)=1-FVAR(1)
 Sof(C1B)=Sof(H1BA)=Sof(H1BB)=Sof(C1C)=Sof(H1CA)=Sof(H1CB)=Sof(C1D)=Sof(H1DA)=
 Sof(H1DB)=Sof(H1DC)=Sof(C1E)=Sof(H1EA)=Sof(H1EB)=Sof(C1F)=Sof(H1FA)=Sof(H1FB)=
 Sof(C1G)=Sof(H1GA)=Sof(H1GB)=Sof(H1GC)=Sof(C1H)=Sof(H1HA)=Sof(H1HB)=Sof(H1HC)=
 Sof(C1I)=Sof(H1IA)=Sof(H1IB)=Sof(H1IC)=FVAR(1)
 Sof(C237)=Sof(H23A)=Sof(H23B)=Sof(H23C)=Sof(C233)=Sof(H23D)=Sof(H23E)=
 Sof(H23F)=Sof(C239)=Sof(H23G)=Sof(H23H)=Sof(H23I)=Sof(C238)=Sof(H23J)=
 Sof(H23K)=Sof(C234)=Sof(H23L)=Sof(H23M)=Sof(C236)=Sof(H23N)=Sof(H23O)=
 Sof(C235)=Sof(H23P)=Sof(H23Q)=Sof(H23R)=Sof(C1A)=Sof(H1AA)=Sof(H1AB)=1-FVAR(2)
 Sof(C1J)=Sof(H1JA)=Sof(H1JB)=Sof(C1K)=Sof(H1KA)=Sof(H1KB)=Sof(C1L)=Sof(H1LA)=
 Sof(H1LB)=Sof(C232)=Sof(H23S)=Sof(H23T)=Sof(C1M)=Sof(H1MA)=Sof(H1MB)=Sof(H1MC)=
 Sof(C1N)=Sof(H1NA)=Sof(H1NB)=Sof(H1NC)=Sof(C1O)=Sof(H1OA)=Sof(H1OB)=Sof(H1OC)=
 Sof(C1P)=Sof(H1PA)=Sof(H1PB)=Sof(H1PC)=FVAR(2)
 Sof(F33B)=Sof(F31B)=Sof(F32B)=1-FVAR(3)
 Sof(F33A)=Sof(F32A)=Sof(F31A)=FVAR(3)
 Sof(F37B)=Sof(F38B)=1-FVAR(4)
 Sof(F38A)=Sof(F37A)=FVAR(4)
 Sof(F2B)=Sof(F1B)=Sof(F3B)=1-FVAR(5)
 Sof(F1A)=Sof(F3A)=Sof(F2A)=FVAR(5)
 Sof(F7B)=Sof(F8B)=1-FVAR(6)
 Sof(F8A)=Sof(F7A)=FVAR(6)
 Sof(C190)=Sof(C192)=Sof(H19A)=Sof(H19B)=Sof(H19C)=Sof(C191)=Sof(H19D)=
 Sof(H19E)=Sof(H19F)=Sof(C193)=Sof(H19G)=Sof(H19H)=Sof(H19I)=1-FVAR(7)
 Sof(C240)=Sof(C241)=Sof(H24A)=Sof(H24B)=Sof(H24C)=Sof(C242)=Sof(H24D)=
 Sof(H24E)=Sof(H24F)=Sof(C243)=Sof(H24G)=Sof(H24H)=Sof(H24I)=FVAR(7)
 Sof(O36B)=1-FVAR(8)
 Sof(O36A)=FVAR(8)
 Sof(C179)=1-FVAR(9)
 Sof(C1Q)=FVAR(9)
7.a Rotating group:
 O34(H34A,H34B), O43(H43A,H43B)
7.b Secondary CH2 refined with riding coordinates:
 C206(H20F,H20G), C100(H10A,H10B), C218(H21P,H21Q), C210(H21A,H21B), C214(H21F,
 H21G), C213(H21H,H21I), C102(H10I,H10J), C230(H23X,H23Y), C222(H22P,H22Q),
 C220(H22R,H22S), C224(H22G,H22H), C238(H23J,H23K), C234(H23L,H23M), C236(H23N,
 H23O), C208(H20A,H20B), C216(H21U,H21V), C226(H22I,H22J), C1A(H1AA,H1AB),
 C228(H22K,H22L), C1B(H1BA,H1BB), C1C(H1CA,H1CB), C1E(H1EA,H1EB), C1F(H1FA,
 H1FB), C1J(H1JA,H1JB), C1K(H1KA,H1KB), C1L(H1LA,H1LB), C232(H23S,H23T)
7.c Aromatic/amide H refined with riding coordinates:
 C123(H123), C110(H110), C122(H122), C82(H82), C106(H106), C146(H146),
 C112(H112), C148(H148), C45(H45), C111(H111), C120(H120), C151(H151), C53(H53),
  C20(H20), C44(H44), C201(H201), C173(H173), C170(H170), C147(H147),
 C109(H109), C43(H43), C70(H70), C171(H171), C174(H174), C176(H176), C8(H8A),
 C196(H196), C121(H121), C56(H56), C19(H19), C83(H83), C92(H92), C77(H77),
 C81(H81), C186(H186), C42(H42), C7(H7), C145(H145), C134(H134), C48(H48),
 C156(H156), C135(H135), C136(H136), C93(H93), C6(H6), C126(H126), C80(H80),
 C57(H57), C195(H195), C184(H184), C160(H160), C33(H33), C3(H3), C137(H137),
 C69(H69), C181(H181), C23(H23), C31(H31), C198(H198), C32(H32), C18(H18),
 C34(H34), C159(H159), C187(H187), C9(H9), C162(H162), C67(H67), C58(H58),
 C97(H97), C28(H28), C197(H197), C185(H185), C59(H59), C07T(H07T), C94(H94),
 C161(H161), C68(H68), C17(H17A), C91(H91), C131(H131), C204(H204)
7.d Idealised Me refined as rotating group:
 C227(H22A,H22B,H22C), C231(H23U,H23V,H23W), C225(H22D,H22E,H22F), C140(H14A,
 H14B,H14C), C237(H23A,H23B,H23C), C64(H64A,H64B,H64C), C233(H23D,H23E,H23F),
 C15(H15A,H15B,H15C), C239(H23G,H23H,H23I), C143(H14D,H14E,H14F), C13(H13A,H13B,
 H13C), C101(H10C,H10D,H10E), C142(H14G,H14H,H14I), C14(H14J,H14K,H14L),
 C63(H63A,H63B,H63C), C211(H21C,H21D,H21E), C65(H65A,H65B,H65C), C103(H10F,H10G,
 H10H), C86(H86A,H86B,H86C), C115(H11A,H11B,H11C), C89(H89A,H89B,H89C),
 C118(H11D,H11E,H11F), C38(H38A,H38B,H38C), C40(H40A,H40B,H40C), C88(H88A,H88B,
 H88C), C207(H20H,H20I,H20J), C116(H11G,H11H,H11I), C166(H16A,H16B,H16C),
 C215(H21J,H21K,H21L), C39(H39A,H39B,H39C), C221(H22T,H22U,H22V), C167(H16D,
 H16E,H16F), C219(H21R,H21S,H21T), C212(H21M,H21N,H21O), C235(H23P,H23Q,H23R),
 C168(H16G,H16H,H16I), C192(H19A,H19B,H19C), C191(H19D,H19E,H19F), C223(H22W,
 H22X,H22Y), C193(H19G,H19H,H19I), C229(H22M,H22N,H22O), C217(H21W,H21X,H21Y),
 C205(H20K,H20L,H20M), C1D(H1DA,H1DB,H1DC), C1G(H1GA,H1GB,H1GC), C1H(H1HA,H1HB,
 H1HC), C1I(H1IA,H1IB,H1IC), C1M(H1MA,H1MB,H1MC), C1N(H1NA,H1NB,H1NC), C1O(H1OA,
 H1OB,H1OC), C1P(H1PA,H1PB,H1PC), C241(H24A,H24B,H24C), C242(H24D,H24E,H24F),
 C243(H24G,H24H,H24I), C209(H20C,H20D,H20E)
7.e Idealised tetrahedral OH refined as rotating group:
 O8(H8), O52(H52), O53(H53A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 1.37467(2) 0.61545(2) 1.13674(2) 0.02389(8) Uani 1 1 d . . . . .
Eu3 Eu 1.08522(2) 0.77329(2) 0.47983(2) 0.02104(8) Uani 1 1 d . . . . .
Eu4 Eu 0.42902(2) 0.71621(2) 0.53248(2) 0.02684(9) Uani 1 1 d D . . . .
Eu2 Eu 1.21302(2) 0.90435(2) 0.88362(2) 0.02933(9) Uani 1 1 d D . . . .
F29 F 1.1861(2) 1.01123(13) 0.48330(13) 0.0266(8) Uani 1 1 d . . . . .
F30 F 1.2501(2) 0.95755(15) 0.46034(14) 0.0297(9) Uani 1 1 d . . . . .
F28 F 1.2548(2) 0.97392(14) 0.52895(12) 0.0278(8) Uani 1 1 d . . . . .
F13 F 0.9821(2) 0.99294(17) 0.94677(12) 0.0306(9) Uani 1 1 d . . . . .
F40 F 0.4785(3) 0.83550(17) 0.68171(14) 0.0384(10) Uani 1 1 d . . . . .
F34 F 1.1106(2) 0.79707(17) 0.32940(13) 0.0354(10) Uani 1 1 d . . . . .
O2 O 1.4577(2) 0.65628(16) 1.09221(13) 0.0188(8) Uani 1 1 d . . . . .
O30 O 1.0186(2) 0.70974(15) 0.52127(13) 0.0176(8) Uani 1 1 d . . . . .
F42 F 0.4170(2) 0.75955(18) 0.69364(13) 0.0362(10) Uani 1 1 d . . . . .
O26 O 0.9901(2) 0.82710(16) 0.45098(13) 0.0173(8) Uani 1 1 d . . . . .
O29 O 1.1828(2) 0.77620(17) 0.55566(13) 0.0193(9) Uani 1 1 d . . . . .
O27 O 1.1555(2) 0.87165(16) 0.48422(13) 0.0162(8) Uani 1 1 d . . . . .
F36 F 1.0012(3) 0.74235(18) 0.28640(12) 0.0394(11) Uani 1 1 d . . . . .
O28 O 1.0582(2) 0.82991(16) 0.54210(13) 0.0177(8) Uani 1 1 d . . . . .
O38 O 0.3896(2) 0.80591(17) 0.53293(14) 0.0221(9) Uani 1 1 d . . . . .
O45 O 1.0028(2) 1.03656(16) 0.68487(14) 0.0215(9) Uani 1 1 d . . . . .
F9 F 1.2165(3) 0.6914(2) 1.26347(13) 0.0495(9) Uani 1 1 d D . . . .
F44 F 0.3130(3) 0.87813(19) 0.55861(15) 0.0426(11) Uani 1 1 d . . . . .
O7 O 1.3047(2) 0.57238(17) 1.05606(13) 0.0207(9) Uani 1 1 d . . . . .
O35 O 0.4741(2) 0.75759(17) 0.47370(14) 0.0216(9) Uani 1 1 d . . . . .
O33 O 1.0808(3) 0.76708(17) 0.39985(13) 0.0235(10) Uani 1 1 d . . . . .
F35 F 1.0975(3) 0.7109(2) 0.31589(16) 0.0504(12) Uani 1 1 d . . . . .
F41 F 0.5422(3) 0.7936(2) 0.72535(13) 0.0434(11) Uani 1 1 d . . . . .
O3 O 1.3968(2) 0.71854(17) 1.15241(13) 0.0199(9) Uani 1 1 d . . . . .
O34 O 1.2245(3) 0.77402(18) 0.47250(14) 0.0222(9) Uani 1 1 d . . . . .
H34A H 1.221329 0.750409 0.448478 0.033 Uiso 1 1 d R U . . .
H34B H 1.252697 0.762346 0.495028 0.033 Uiso 1 1 d R U . . .
O1 O 1.4532(3) 0.55229(17) 1.11388(14) 0.0220(9) Uani 1 1 d . . . . .
F5 F 1.6572(3) 0.78148(18) 1.27192(18) 0.0561(14) Uani 1 1 d . . . . .
O5 O 1.3302(3) 0.64397(18) 1.20154(13) 0.0233(9) Uani 1 1 d . . . . .
O39 O 0.5394(3) 0.68890(17) 0.58089(13) 0.0208(9) Uani 1 1 d . . . . .
O48 O 0.5227(2) 0.46177(17) 0.30989(15) 0.0228(9) Uani 1 1 d . . . . .
F12 F 1.0545(3) 0.4595(2) 1.07431(14) 0.0495(13) Uani 1 1 d . . . . .
F45 F 0.3463(3) 0.8947(2) 0.50222(17) 0.0501(12) Uani 1 1 d . . . . .
O14 O 1.2308(2) 0.93279(18) 0.96513(14) 0.0221(9) Uani 1 1 d . . . . .
F48 F 0.3032(3) 0.47673(16) 0.50998(19) 0.0527(13) Uani 1 1 d . . . . .
O44 O 0.8798(3) 1.04670(17) 0.68261(15) 0.0250(10) Uani 1 1 d . . . . .
O40 O 0.4433(2) 0.74614(18) 0.61218(14) 0.0220(9) Uani 1 1 d . . . . .
O8 O 1.4142(3) 0.55570(19) 1.19139(14) 0.0261(10) Uani 1 1 d . . . . .
H8 H 1.460529 0.552393 1.195350 0.039 Uiso 1 1 calc R U . . .
O21 O 1.2651(3) 1.01401(17) 1.19408(14) 0.0241(9) Uani 1 1 d . . . . .
O52 O 0.5815(3) 0.5811(2) 0.21577(17) 0.0332(11) Uani 1 1 d . . . . .
H52 H 0.569221 0.609454 0.210061 0.050 Uiso 1 1 calc R U . . .
O4 O 1.5125(3) 0.66948(17) 1.19486(13) 0.0221(9) Uani 1 1 d . . . . .
O10 O 1.2911(3) 0.89246(18) 0.82968(15) 0.0305(11) Uani 1 1 d . . . . .
O01A O 1.2450(2) 0.64105(17) 1.11240(13) 0.0198(9) Uani 1 1 d . . . . .
O12 O 1.3490(3) 0.90226(18) 0.92766(15) 0.0244(10) Uani 1 1 d . . . . .
O37 O 0.5518(2) 0.79800(17) 0.56581(14) 0.0213(9) Uani 1 1 d . . . . .
F14 F 0.9592(3) 0.9431(2) 0.88247(15) 0.0558(14) Uani 1 1 d . . . . .
O6 O 1.2544(3) 0.53544(18) 1.12584(14) 0.0252(10) Uani 1 1 d . . . . .
O42 O 0.3641(3) 0.61985(18) 0.53468(15) 0.0286(10) Uani 1 1 d . . . . .
O43 O 0.2849(3) 0.70435(19) 0.53685(17) 0.0325(11) Uani 1 1 d . . . . .
H43A H 0.279478 0.690974 0.560236 0.049 Uiso 1 1 d R U . . .
H43B H 0.250530 0.678556 0.514104 0.049 Uiso 1 1 d R U . . .
F15 F 1.0252(3) 1.0278(2) 0.89804(17) 0.0512(13) Uani 1 1 d . . . . .
O15 O 1.1060(3) 0.83996(18) 0.90393(14) 0.0259(10) Uani 1 1 d . . . . .
O13 O 1.1208(3) 0.9585(2) 0.89769(14) 0.0269(10) Uani 1 1 d . . . . .
O49 O 0.6454(3) 0.47598(18) 0.30200(17) 0.0289(10) Uani 1 1 d . . . . .
F10 F 1.1394(3) 0.4427(2) 1.12716(17) 0.0542(13) Uani 1 1 d . . . . .
F46 F 0.3090(3) 0.53468(18) 0.56804(18) 0.0521(13) Uani 1 1 d . . . . .
F23 F 1.4085(3) 1.09983(17) 0.90365(19) 0.0575(14) Uani 1 1 d . . . . .
F11 F 1.1041(3) 0.5164(2) 1.13664(16) 0.0514(13) Uani 1 1 d . . . . .
O41 O 0.4711(3) 0.64768(17) 0.48594(15) 0.0375(13) Uani 1 1 d . . . . .
O32 O 0.9553(3) 0.71157(17) 0.42952(14) 0.0274(10) Uani 1 1 d . . . . .
O47 O 0.7124(2) 0.96062(19) 0.33756(15) 0.0272(10) Uani 1 1 d . . . . .
N10 N 0.7601(3) 0.74961(18) 0.50934(15) 0.0185(10) Uani 1 1 d D . . . .
O11 O 1.3156(3) 0.99503(17) 0.89816(15) 0.0254(10) Uani 1 1 d . . . . .
O24 O 1.1005(3) 0.46522(18) 0.82237(15) 0.0353(12) Uani 1 1 d . . . . .
F19 F 1.3835(4) 0.8315(2) 0.76172(19) 0.0711(19) Uani 1 1 d . . . . .
F16 F 0.9640(3) 0.7304(2) 0.74995(16) 0.0585(14) Uani 1 1 d . . . . .
O20 O 1.3099(4) 0.9640(2) 1.24268(16) 0.0413(13) Uani 1 1 d . . . . .
N7 N 0.8966(3) 0.96368(19) 0.65659(16) 0.0164(10) Uani 1 1 d . . . . .
F24 F 1.4890(3) 1.0636(2) 0.8802(2) 0.075(2) Uani 1 1 d . . . . .
O16 O 1.0999(3) 0.8499(2) 0.81720(15) 0.0325(11) Uani 1 1 d . . . . .
O9 O 1.2244(3) 0.80710(18) 0.86763(15) 0.0268(10) Uani 1 1 d . . . . .
F26 F 1.2473(4) 0.7928(4) 0.67039(16) 0.101(3) Uani 1 1 d . . . . .
F43 F 0.4119(3) 0.94601(19) 0.5660(2) 0.080(2) Uani 1 1 d . . . . .
N1 N 1.3031(3) 0.9406(2) 1.17059(16) 0.0257(12) Uani 1 1 d . . . . .
O19 O 1.7313(3) 0.84927(19) 0.96170(16) 0.0282(10) Uani 1 1 d . . . . .
O25 O 1.1199(3) 0.5228(2) 0.77599(15) 0.0366(12) Uani 1 1 d . . . . .
O46 O 0.5823(3) 0.9282(2) 0.33409(19) 0.0374(13) Uani 1 1 d . . . . .
N9 N 1.2809(3) 0.7513(2) 1.00633(17) 0.0265(12) Uani 1 1 d D . . . .
O31 O 1.1008(4) 0.67777(19) 0.4630(2) 0.0468(16) Uani 1 1 d . . . . .
F33B F 1.0316(10) 0.5851(7) 0.3839(5) 0.0523(7) Uani 0.325(7) 1 d D . P A 2
O51 O 0.9262(3) 0.5626(2) 0.6841(2) 0.0429(14) Uani 1 1 d . . . . .
F39 F 0.1820(3) 0.6667(2) 0.39333(16) 0.0523(7) Uani 1 1 d D . . . .
O18 O 1.7602(3) 0.7884(2) 1.00355(18) 0.0348(12) Uani 1 1 d . . . . .
F25 F 1.3172(3) 0.7984(3) 0.6258(2) 0.088(2) Uani 1 1 d . . . . .
N6 N 0.6165(3) 0.5374(2) 0.34929(18) 0.0294(13) Uani 1 1 d . . . . .
O17 O 1.1851(3) 0.9624(2) 0.82299(17) 0.0362(12) Uani 1 1 d D . . . .
H17 H 1.2296(11) 0.984(2) 0.8219(16) 0.054 Uiso 1 1 d D U . . .
F31B F 1.1348(9) 0.5812(6) 0.4319(6) 0.0523(7) Uani 0.325(7) 1 d D . P A 2
N2 N 1.6426(3) 0.8097(2) 0.99218(19) 0.0249(12) Uani 1 1 d . . . . .
C123 C 0.7820(3) 0.8864(2) 0.64519(19) 0.0164(11) Uani 1 1 d . . . . .
H123 H 0.815207 0.870811 0.664570 0.020 Uiso 1 1 calc R U . . .
F18 F 1.0569(4) 0.7857(3) 0.73692(17) 0.0726(18) Uani 1 1 d . . . . .
F27 F 1.2356(4) 0.7242(3) 0.6226(2) 0.081(2) Uani 1 1 d . . . . .
O22 O 0.8452(3) 0.6408(2) 1.03617(19) 0.0374(13) Uani 1 1 d . . . . .
F21 F 1.3102(4) 0.8844(2) 0.74615(17) 0.0707(18) Uani 1 1 d . . . . .
O23 O 0.7974(3) 0.6769(2) 0.97744(19) 0.0371(13) Uani 1 1 d . . . . .
O36B O 0.3408(7) 0.6623(5) 0.4537(3) 0.0152(12) Uani 0.322(8) 1 d D . P B 2
C110 C 0.9813(3) 0.9006(2) 0.66415(18) 0.0163(11) Uani 1 1 d . . . . .
H110 H 0.975471 0.898292 0.692433 0.020 Uiso 1 1 calc R U . . .
C122 C 0.7018(3) 0.8579(2) 0.62433(19) 0.0175(11) Uani 1 1 d . . . . .
H122 H 0.680939 0.822547 0.629023 0.021 Uiso 1 1 calc R U . . .
F47 F 0.2251(3) 0.5293(2) 0.5062(2) 0.0723(18) Uani 1 1 d . . . . .
F22 F 1.3723(4) 1.0468(2) 0.83972(17) 0.0639(15) Uani 1 1 d . . . . .
C79 C 1.2153(3) 0.9447(2) 1.0361(2) 0.0185(11) Uani 1 1 d . . . . .
F32B F 1.0205(10) 0.5316(6) 0.4284(6) 0.0523(7) Uani 0.325(7) 1 d D . P A 2
C124 C 0.6525(3) 0.8812(2) 0.59680(18) 0.0161(11) Uani 1 1 d . . . . .
C150 C 0.9891(3) 0.8749(2) 0.44868(17) 0.0140(11) Uani 1 1 d . . . . .
F20 F 1.4177(4) 0.9151(3) 0.7985(2) 0.0735(18) Uani 1 1 d . . . . .
C4 C 1.4984(3) 0.6419(2) 1.0689(2) 0.0193(12) Uani 1 1 d . . . . .
C107 C 1.0767(3) 0.8390(2) 0.58333(18) 0.0141(11) Uani 1 1 d . . . . .
C108 C 1.0334(3) 0.8729(2) 0.60480(18) 0.0125(10) Uani 1 1 d . . . . .
O50 O 0.8298(3) 0.5840(3) 0.7115(2) 0.0489(17) Uani 1 1 d D . . . .
C82 C 1.2952(4) 0.9470(3) 1.0551(2) 0.0228(12) Uani 1 1 d . . . . .
H82 H 1.330284 0.948542 1.037503 0.027 Uiso 1 1 calc R U . . .
F4 F 1.6695(3) 0.7062(3) 1.2388(3) 0.097(3) Uani 1 1 d . . . . .
N5 N 0.8454(3) 0.6103(2) 0.6508(2) 0.0289(13) Uani 1 1 d . . . . .
C106 C 1.1351(4) 0.8203(3) 0.6106(2) 0.0212(12) Uani 1 1 d . . . . .
H106 H 1.142399 0.827617 0.641492 0.025 Uiso 1 1 calc R U . . .
N3 N 1.1739(4) 0.5515(2) 0.84999(17) 0.0278(13) Uani 1 1 d . . . . .
C146 C 0.8497(4) 0.8378(3) 0.4007(2) 0.0220(12) Uani 1 1 d . . . . .
H146 H 0.860213 0.803188 0.395752 0.026 Uiso 1 1 calc R U . . .
C202 C 0.4995(3) 0.7546(2) 0.6473(2) 0.0194(12) Uani 1 1 d . . . . .
C152 C 1.1351(3) 0.9140(2) 0.47817(18) 0.0133(10) Uani 1 1 d . . . . .
C114 C 0.9234(3) 1.0194(2) 0.6755(2) 0.0192(12) Uani 1 1 d . . . . .
C119 C 0.8128(3) 0.9375(2) 0.63747(19) 0.0163(11) Uani 1 1 d . . . . .
F17 F 0.9554(4) 0.8106(3) 0.74287(18) 0.0764(18) Uani 1 1 d . . . . .
C113 C 0.9476(3) 0.9346(2) 0.64084(18) 0.0142(11) Uani 1 1 d . . . . .
C112 C 0.9570(3) 0.9390(2) 0.59917(19) 0.0156(11) Uani 1 1 d . . . . .
H112 H 0.934659 0.963007 0.583359 0.019 Uiso 1 1 calc R U . . .
N8 N 0.6768(3) 0.8935(2) 0.37151(19) 0.0254(12) Uani 1 1 d . . . . .
C178 C 1.0591(4) 0.7483(3) 0.3238(2) 0.0273(14) Uani 1 1 d . . . . .
C148 C 0.8934(3) 0.9341(3) 0.4336(2) 0.0219(12) Uani 1 1 d . . . . .
H148 H 0.934169 0.965876 0.451153 0.026 Uiso 1 1 calc R U . . .
C54 C 1.1967(4) 0.6563(2) 1.13028(19) 0.0183(11) Uani 1 1 d . . . . .
F6 F 1.6064(4) 0.7051(2) 1.2867(2) 0.087(2) Uani 1 1 d . . . . .
C45 C 1.2792(4) 0.5573(2) 0.96661(19) 0.0216(12) Uani 1 1 d . . . . .
H45 H 1.332489 0.567473 0.985452 0.026 Uiso 1 1 calc R U . . .
C111 C 0.9995(3) 0.9077(2) 0.58167(19) 0.0167(11) Uani 1 1 d . . . . .
H111 H 1.005586 0.909979 0.553438 0.020 Uiso 1 1 calc R U . . .
C78 C 1.1879(4) 0.9453(2) 0.98796(19) 0.0173(11) Uani 1 1 d . . . . .
C120 C 0.7642(3) 0.9606(2) 0.6095(2) 0.0191(12) Uani 1 1 d . . . . .
H120 H 0.785413 0.995549 0.604094 0.023 Uiso 1 1 calc R U . . .
C151 C 1.0596(3) 0.9206(2) 0.46293(19) 0.0173(11) Uani 1 1 d . . . . .
H151 H 1.054336 0.956409 0.461866 0.021 Uiso 1 1 calc R U . . .
F37B F 0.2418(5) 0.6516(4) 0.3438(2) 0.0523(7) Uani 0.642(9) 1 d D . P C 2
C182 C 1.0014(4) 0.6595(2) 0.5218(2) 0.0201(12) Uani 1 1 d . . . . .
C53 C 1.2070(4) 0.6666(3) 1.1765(2) 0.0224(13) Uani 1 1 d . . . . .
H53 H 1.167568 0.678323 1.186989 0.027 Uiso 1 1 calc R U . . .
C20 C 1.5574(4) 0.9268(3) 0.9753(2) 0.0255(13) Uani 1 1 d . . . . .
H20 H 1.571947 0.965601 0.984548 0.031 Uiso 1 1 calc R U . . .
F2B F 1.5877(6) 0.5060(4) 1.0717(4) 0.0478(10) Uani 0.496(5) 1 d D . P D 2
C76 C 1.0906(4) 0.9653(2) 0.9288(2) 0.0202(12) Uani 1 1 d . . . . .
N11 N 1.1654(4) 0.5903(3) 0.67700(19) 0.0414(17) Uani 1 1 d . . . . .
C172 C 0.8391(4) 0.6534(2) 0.37632(19) 0.0223(13) Uani 1 1 d . . . . .
N4 N 0.9295(3) 0.6873(3) 1.0069(2) 0.0327(14) Uani 1 1 d . . . . .
C44 C 1.2650(4) 0.5585(3) 0.9221(2) 0.0245(13) Uani 1 1 d . . . . .
H44 H 1.308117 0.568624 0.910421 0.029 Uiso 1 1 calc R U . . .
C201 C 0.5682(3) 0.7370(2) 0.65398(19) 0.0177(11) Uani 1 1 d . . . . .
H201 H 0.606808 0.748518 0.682298 0.021 Uiso 1 1 calc R U . . .
C149 C 0.9107(3) 0.8842(3) 0.42766(19) 0.0177(11) Uani 1 1 d . . . . .
C47 C 1.2367(4) 0.5431(2) 1.03281(19) 0.0172(11) Uani 1 1 d . . . . .
C183 C 0.9639(4) 0.6438(2) 0.5561(2) 0.0210(12) Uani 1 1 d . . . . .
C173 C 0.7076(4) 0.6058(3) 0.3267(2) 0.0317(16) Uani 1 1 d . . . . .
H173 H 0.668023 0.599791 0.299148 0.038 Uiso 1 1 calc R U . . .
C5 C 1.5359(3) 0.6840(2) 1.0468(2) 0.0185(11) Uani 1 1 d . . . . .
C170 C 0.7497(4) 0.5846(3) 0.3983(2) 0.0254(14) Uani 1 1 d . . . . .
H170 H 0.739137 0.563748 0.419280 0.030 Uiso 1 1 calc R U . . .
C105 C 1.1825(4) 0.7916(3) 0.5946(2) 0.0224(13) Uani 1 1 d . . . . .
C141 C 0.7000(4) 1.0045(3) 0.3132(2) 0.0231(13) Uani 1 1 d . . . . .
C153 C 1.2058(4) 0.9645(2) 0.4877(2) 0.0208(13) Uani 1 1 d . . . . .
C147 C 0.8177(4) 0.9389(3) 0.4144(2) 0.0253(13) Uani 1 1 d . . . . .
H147 H 0.807237 0.973604 0.418487 0.030 Uiso 1 1 calc R U . . .
C109 C 1.0237(3) 0.8699(2) 0.64618(18) 0.0171(11) Uani 1 1 d . . . . .
H109 H 1.046583 0.846309 0.662265 0.021 Uiso 1 1 calc R U . . .
C43 C 1.1392(4) 0.5257(3) 0.9556(2) 0.0259(13) Uani 1 1 d . . . . .
H43 H 1.096021 0.513114 0.966717 0.031 Uiso 1 1 calc R U . . .
C127 C 0.4284(4) 0.8550(3) 0.5489(2) 0.0231(13) Uani 1 1 d . . . . .
C70 C 1.0280(4) 0.7962(3) 0.9587(2) 0.0258(13) Uani 1 1 d . . . . .
H70 H 1.061127 0.832949 0.968531 0.031 Uiso 1 1 calc R U . . .
F7B F 1.3389(6) 0.6994(6) 1.2851(3) 0.0495(9) Uani 0.431(9) 1 d D . P E 2
C171 C 0.8231(4) 0.6237(2) 0.4076(2) 0.0232(13) Uani 1 1 d . . . . .
H171 H 0.862219 0.630016 0.435312 0.028 Uiso 1 1 calc R U . . .
C41 C 1.1861(4) 0.5445(2) 0.89483(19) 0.0225(12) Uani 1 1 d . . . . .
C46 C 1.2168(4) 0.5415(2) 0.98381(19) 0.0193(12) Uani 1 1 d . . . . .
C206 C 0.6472(5) 0.5758(3) 0.2003(3) 0.0369(17) Uani 1 1 d . . . . .
H20F H 0.695706 0.605429 0.217989 0.044 Uiso 1 1 calc R U . . .
H20G H 0.635951 0.578819 0.169072 0.044 Uiso 1 1 calc R U . . .
C177 C 1.0298(4) 0.7426(2) 0.36404(19) 0.0180(12) Uani 1 1 d . . . . .
C174 C 0.7810(4) 0.6442(3) 0.3358(2) 0.0274(14) Uani 1 1 d . . . . .
H174 H 0.791708 0.664119 0.314320 0.033 Uiso 1 1 calc R U . . .
C176 C 0.9527(4) 0.7095(2) 0.35547(19) 0.0215(13) Uani 1 1 d . . . . .
H176 H 0.920173 0.696494 0.325638 0.026 Uiso 1 1 calc R U . . .
C203 C 0.4850(4) 0.7860(3) 0.6874(3) 0.0319(11) Uani 1 1 d . . . . .
C84 C 1.2727(4) 0.9441(2) 1.1254(2) 0.0221(12) Uani 1 1 d . . . . .
C96 C 1.4377(3) 0.7600(2) 1.1817(2) 0.0195(12) Uani 1 1 d . . . . .
C8 C 1.5534(4) 0.7389(3) 1.0675(2) 0.0284(14) Uani 1 1 d . . . . .
H8A H 1.539977 0.748247 1.093869 0.034 Uiso 1 1 calc R U . . .
C164 C 0.5984(4) 0.4889(3) 0.3184(2) 0.0217(13) Uani 1 1 d . . . . .
C196 C 0.7154(4) 0.6996(3) 0.6701(2) 0.0221(12) Uani 1 1 d . . . . .
H196 H 0.715160 0.729111 0.691759 0.026 Uiso 1 1 calc R U . . .
C121 C 0.6850(4) 0.9328(3) 0.5897(2) 0.0218(12) Uani 1 1 d . . . . .
H121 H 0.651868 0.948959 0.570809 0.026 Uiso 1 1 calc R U . . .
F38B F 0.2398(5) 0.6013(3) 0.3861(3) 0.0523(7) Uani 0.642(9) 1 d D . P C 2
C56 C 1.0960(4) 0.6330(3) 1.0569(2) 0.0226(12) Uani 1 1 d . . . . .
H56 H 1.121483 0.606683 1.047990 0.027 Uiso 1 1 calc R U . . .
C19 C 1.6119(4) 0.8983(3) 0.9897(2) 0.0267(14) Uani 1 1 d . . . . .
H19 H 1.663421 0.917384 1.009227 0.032 Uiso 1 1 calc R U . . .
C125 C 0.5667(3) 0.8490(2) 0.5753(2) 0.0199(12) Uani 1 1 d . . . . .
C132 C 0.4562(4) 0.7497(3) 0.4327(2) 0.0276(14) Uani 1 1 d . . . . .
C21 C 1.4817(4) 0.8988(3) 0.9474(2) 0.0205(12) Uani 1 1 d . . . . .
C83 C 1.3234(4) 0.9471(3) 1.0997(2) 0.0273(14) Uani 1 1 d . . . . .
H83 H 1.377857 0.949181 1.112469 0.033 Uiso 1 1 calc R U . . .
C92 C 1.2909(4) 0.8434(2) 1.1617(2) 0.0207(12) Uani 1 1 d . . . . .
H92 H 1.235019 0.836420 1.149343 0.025 Uiso 1 1 calc R U . . .
C77 C 1.1170(4) 0.9600(2) 0.9714(2) 0.0194(12) Uani 1 1 d . . . . .
H77 H 1.086504 0.966436 0.990693 0.023 Uiso 1 1 calc R U . . .
C81 C 1.1934(4) 0.9412(3) 1.1071(2) 0.0224(12) Uani 1 1 d . . . . .
H81 H 1.158514 0.939005 1.124871 0.027 Uiso 1 1 calc R U . . .
C100 C 1.3869(4) 0.5431(3) 1.2274(2) 0.0328(16) Uani 1 1 d . . . . .
H10A H 1.383577 0.504224 1.228266 0.039 Uiso 1 1 calc R U . . .
H10B H 1.332586 0.547514 1.222744 0.039 Uiso 1 1 calc R U . . .
C95 C 1.4054(4) 0.8092(3) 1.18267(19) 0.0207(12) Uani 1 1 d . . . . .
C55 C 1.1241(4) 0.6638(3) 1.1003(2) 0.0199(12) Uani 1 1 d . . . . .
C128 C 0.3748(4) 0.8939(3) 0.5442(2) 0.0309(15) Uani 1 1 d . . . . .
C186 C 0.9704(4) 0.6847(2) 0.5915(2) 0.0208(12) Uani 1 1 d . . . . .
H186 H 1.000084 0.721279 0.593864 0.025 Uiso 1 1 calc R U . . .
C16 C 1.5903(4) 0.8415(3) 0.9753(2) 0.0231(12) Uani 1 1 d . . . . .
C163 C 0.5695(4) 0.5486(3) 0.3776(2) 0.0279(14) Uani 1 1 d . . . . .
C42 C 1.1238(4) 0.5281(3) 0.9114(2) 0.0260(13) Uani 1 1 d . . . . .
H42 H 1.070419 0.518392 0.892676 0.031 Uiso 1 1 calc R U . . .
C133 C 0.5118(3) 0.7863(3) 0.4143(2) 0.0234(13) Uani 1 1 d . . . . .
C199 C 0.6521(3) 0.6794(2) 0.6312(2) 0.0182(11) Uani 1 1 d . . . . .
C7 C 1.5905(4) 0.7115(3) 0.9900(2) 0.0222(12) Uani 1 1 d . . . . .
H7 H 1.602994 0.702245 0.963358 0.027 Uiso 1 1 calc R U . . .
C145 C 0.7749(4) 0.8425(3) 0.3815(2) 0.0267(14) Uani 1 1 d . . . . .
H145 H 0.734517 0.811156 0.362856 0.032 Uiso 1 1 calc R U . . .
C134 C 0.5656(4) 0.8330(3) 0.4436(2) 0.0252(13) Uani 1 1 d . . . . .
H134 H 0.565996 0.840627 0.473561 0.030 Uiso 1 1 calc R U . . .
C48 C 1.1788(4) 0.5133(2) 1.0497(2) 0.0223(13) Uani 1 1 d . . . . .
H48 H 1.128660 0.492333 1.029570 0.027 Uiso 1 1 calc R U . . .
C169 C 0.6924(4) 0.5765(3) 0.3579(2) 0.0287(15) Uani 1 1 d . . . . .
C156 C 0.4008(4) 0.5585(3) 0.4852(2) 0.0302(15) Uani 1 1 d . . . . .
H156 H 0.392912 0.520621 0.474041 0.036 Uiso 1 1 calc R U . . .
C135 C 0.6191(4) 0.8688(3) 0.4288(2) 0.0246(13) Uani 1 1 d . . . . .
H135 H 0.655936 0.900777 0.448710 0.030 Uiso 1 1 calc R U . . .
C75 C 1.0138(4) 0.9824(3) 0.9148(2) 0.0297(15) Uani 1 1 d . . . . .
C136 C 0.5109(4) 0.7752(3) 0.3703(2) 0.0264(13) Uani 1 1 d . . . . .
H136 H 0.473658 0.743515 0.350253 0.032 Uiso 1 1 calc R U . . .
C93 C 1.3243(4) 0.8001(3) 1.16350(19) 0.0209(12) Uani 1 1 d . . . . .
H93 H 1.291290 0.763580 1.151402 0.025 Uiso 1 1 calc R U . . .
C227 C 1.3691(12) 0.7122(11) 0.9660(6) 0.0294(8) Uani 0.405(5) 1 d D . P F 2
H22A H 1.325238 0.699716 0.938286 0.044 Uiso 0.405(5) 1 calc R U P F 2
H22B H 1.401334 0.686175 0.967748 0.044 Uiso 0.405(5) 1 calc R U P F 2
H22C H 1.402409 0.748542 0.966866 0.044 Uiso 0.405(5) 1 calc R U P F 2
C144 C 0.7577(3) 0.8924(3) 0.3892(2) 0.0220(12) Uani 1 1 d . . . . .
C6 C 1.5541(4) 0.6706(3) 1.0077(2) 0.0226(12) Uani 1 1 d . . . . .
H6 H 1.541380 0.633220 0.993111 0.027 Uiso 1 1 calc R U . . .
C175 C 0.9203(4) 0.6944(2) 0.3889(2) 0.0226(13) Uani 1 1 d . . . . .
C126 C 0.5095(4) 0.8784(3) 0.5683(2) 0.0276(14) Uani 1 1 d . . . . .
H126 H 0.527950 0.917248 0.577478 0.033 Uiso 1 1 calc R U . . .
C80 C 1.1647(4) 0.9414(2) 1.0624(2) 0.0201(12) Uani 1 1 d . . . . .
H80 H 1.110172 0.939300 1.049887 0.024 Uiso 1 1 calc R U . . .
C155 C 0.3601(4) 0.5732(3) 0.5143(2) 0.0269(14) Uani 1 1 d . . . . .
C231 C 1.1467(11) 0.6832(7) 0.9590(9) 0.0294(8) Uani 0.405(5) 1 d D . P F 2
H23U H 1.112578 0.670004 0.928332 0.044 Uiso 0.405(5) 1 calc R U P F 2
H23V H 1.113918 0.689329 0.978292 0.044 Uiso 0.405(5) 1 calc R U P F 2
H23W H 1.173816 0.655783 0.967637 0.044 Uiso 0.405(5) 1 calc R U P F 2
C72 C 1.0471(4) 0.7997(3) 0.8856(2) 0.0264(13) Uani 1 1 d . . . . .
C117 C 1.0458(4) 1.0956(3) 0.7022(2) 0.0306(15) Uani 1 1 d . . . . .
C57 C 1.0306(4) 0.6404(3) 1.0266(2) 0.0272(14) Uani 1 1 d . . . . .
H57 H 1.012102 0.619727 0.997010 0.033 Uiso 1 1 calc R U . . .
C52 C 1.2732(4) 0.6600(3) 1.20709(19) 0.0230(13) Uani 1 1 d . . . . .
C71 C 1.0104(4) 0.7701(3) 0.9153(2) 0.0243(13) Uani 1 1 d . . . . .
C60 C 0.9931(4) 0.6782(3) 1.0402(2) 0.0265(13) Uani 1 1 d . . . . .
C225 C 1.1971(15) 0.7881(8) 1.0486(10) 0.0294(8) Uani 0.405(5) 1 d D . P F 2
H22D H 1.147161 0.771325 1.024686 0.044 Uiso 0.405(5) 1 calc R U P F 2
H22E H 1.218279 0.826395 1.047231 0.044 Uiso 0.405(5) 1 calc R U P F 2
H22F H 1.187194 0.786969 1.077074 0.044 Uiso 0.405(5) 1 calc R U P F 2
C49 C 1.1921(4) 0.5134(3) 1.0937(2) 0.0239(13) Uani 1 1 d . . . . .
C195 C 0.7788(4) 0.6766(3) 0.6772(2) 0.0256(13) Uani 1 1 d . . . . .
H195 H 0.822535 0.691131 0.703413 0.031 Uiso 1 1 calc R U . . .
C200 C 0.5824(3) 0.7026(2) 0.62013(19) 0.0156(11) Uani 1 1 d . . . . .
C90 C 1.3389(4) 0.8970(3) 1.1780(2) 0.0249(13) Uani 1 1 d . . . . .
C2 C 1.4902(4) 0.5510(2) 1.0866(2) 0.0223(13) Uani 1 1 d . . . . .
C10 C 1.6090(4) 0.7663(3) 1.0112(2) 0.0223(12) Uani 1 1 d . . . . .
C184 C 0.9201(4) 0.5899(3) 0.5537(3) 0.0338(16) Uani 1 1 d . . . . .
H184 H 0.915574 0.561178 0.530054 0.041 Uiso 1 1 calc R U . . .
C160 C 0.5404(5) 0.5105(3) 0.4002(2) 0.0333(16) Uani 1 1 d . . . . .
H160 H 0.547072 0.474662 0.395212 0.040 Uiso 1 1 calc R U . . .
C85 C 1.2934(4) 0.9733(3) 1.2063(2) 0.0319(16) Uani 1 1 d . . . . .
C1 C 1.5168(3) 0.4990(3) 1.0779(2) 0.0250(13) Uani 1 1 d D . . . .
C36 C 1.1292(4) 0.5126(3) 0.8126(2) 0.0274(15) Uani 1 1 d . . . . .
C104 C 1.2457(5) 0.7777(4) 0.6292(2) 0.041(2) Uani 1 1 d . . . . .
C33 C 1.1603(4) 0.6939(3) 0.8481(2) 0.0275(14) Uani 1 1 d . . . . .
H33 H 1.123939 0.714582 0.851188 0.033 Uiso 1 1 calc R U . . .
C3 C 1.5128(4) 0.5902(2) 1.0626(2) 0.0253(14) Uani 1 1 d . . . . .
H3 H 1.538826 0.581462 1.041383 0.030 Uiso 1 1 calc R U . . .
C137 C 0.5649(4) 0.8108(3) 0.3558(2) 0.0290(14) Uani 1 1 d . . . . .
H137 H 0.565042 0.803060 0.325970 0.035 Uiso 1 1 calc R U . . .
C69 C 0.9987(4) 0.7702(3) 0.9882(2) 0.0280(14) Uani 1 1 d . . . . .
H69 H 1.010349 0.789428 1.017810 0.034 Uiso 1 1 calc R U . . .
C181 C 1.0178(4) 0.6189(3) 0.4939(3) 0.0328(16) Uani 1 1 d . . . . .
H181 H 0.994940 0.581400 0.493155 0.039 Uiso 1 1 calc R U . . .
C23 C 1.4419(4) 0.9775(3) 0.9185(2) 0.0267(14) Uani 1 1 d . . . . .
H23 H 1.496698 0.993077 0.921899 0.032 Uiso 1 1 calc R U . . .
C22 C 1.4192(4) 0.9272(3) 0.9314(2) 0.0215(12) Uani 1 1 d . . . . .
C27 C 1.3125(4) 0.8543(3) 0.8123(2) 0.0283(14) Uani 1 1 d . . . . .
C31 C 1.2859(5) 0.6875(3) 0.8385(2) 0.0290(14) Uani 1 1 d . . . . .
H31 H 1.335526 0.704134 0.834487 0.035 Uiso 1 1 calc R U . . .
C198 C 0.6529(4) 0.6351(3) 0.6005(2) 0.0239(13) Uani 1 1 d . . . . .
H198 H 0.610193 0.621175 0.573858 0.029 Uiso 1 1 calc R U . . .
C194 C 0.7786(4) 0.6326(3) 0.6463(2) 0.0243(13) Uani 1 1 d . . . . .
C157 C 0.4528(5) 0.5968(3) 0.4717(2) 0.0312(15) Uani 1 1 d . . . . .
C30 C 1.2329(4) 0.7188(3) 0.8428(2) 0.0257(13) Uani 1 1 d . . . . .
C32 C 1.2662(5) 0.6324(3) 0.8401(2) 0.0300(14) Uani 1 1 d . . . . .
H32 H 1.302400 0.611439 0.837320 0.036 Uiso 1 1 calc R U . . .
C18 C 1.4615(4) 0.8419(3) 0.9331(2) 0.0253(13) Uani 1 1 d . . . . .
H18 H 1.409795 0.822304 0.914047 0.030 Uiso 1 1 calc R U . . .
C87 C 1.2452(4) 1.0522(3) 1.2264(2) 0.0304(14) Uani 1 1 d . . . . .
C34 C 1.1412(4) 0.6385(3) 0.8490(2) 0.0278(14) Uani 1 1 d . . . . .
H34 H 1.090947 0.621196 0.851932 0.033 Uiso 1 1 calc R U . . .
F1B F 1.5244(7) 0.4738(4) 1.1129(3) 0.0478(10) Uani 0.496(5) 1 d D . P D 2
C140 C 0.6685(5) 1.0448(3) 0.3382(3) 0.0413(18) Uani 1 1 d . . . . .
H14A H 0.697818 1.053232 0.369694 0.062 Uiso 1 1 calc R U . . .
H14B H 0.611770 1.028651 0.333895 0.062 Uiso 1 1 calc R U . . .
H14C H 0.675696 1.078668 0.327128 0.062 Uiso 1 1 calc R U . . .
C165 C 0.4911(4) 0.4055(3) 0.2821(3) 0.0335(16) Uani 1 1 d . . . . .
C24 C 1.3876(4) 1.0049(2) 0.9011(2) 0.0229(13) Uani 1 1 d . . . . .
C159 C 0.5015(5) 0.5251(3) 0.4302(2) 0.0342(16) Uani 1 1 d . . . . .
H159 H 0.481457 0.498954 0.445520 0.041 Uiso 1 1 calc R U . . .
C187 C 0.9338(4) 0.6728(3) 0.6236(2) 0.0245(13) Uani 1 1 d . . . . .
H187 H 0.939725 0.700888 0.648044 0.029 Uiso 1 1 calc R U . . .
C9 C 1.5901(5) 0.7801(3) 1.0500(2) 0.0327(16) Uani 1 1 d . . . . .
H9 H 1.602339 0.817514 1.064416 0.039 Uiso 1 1 calc R U . . .
C188 C 0.8889(4) 0.6199(3) 0.6197(2) 0.0276(14) Uani 1 1 d . . . . .
C138 C 0.6183(4) 0.8575(3) 0.3853(2) 0.0256(13) Uani 1 1 d . . . . .
C139 C 0.6515(4) 0.9289(3) 0.3462(2) 0.0262(14) Uani 1 1 d . . . . .
C162 C 0.5566(4) 0.5995(3) 0.3842(2) 0.0321(15) Uani 1 1 d . . . . .
H162 H 0.574614 0.624933 0.367816 0.039 Uiso 1 1 calc R U . . .
N12 N 0.3656(4) 0.9012(3) 0.3560(3) 0.056(2) Uani 1 1 d . . . . .
C237 C 0.7069(15) 0.7238(8) 0.4253(6) 0.0254(8) Uani 0.369(5) 1 d D . P G 2
H23A H 0.659208 0.719344 0.400717 0.038 Uiso 0.369(5) 1 calc R U P G 2
H23B H 0.723645 0.690062 0.422754 0.038 Uiso 0.369(5) 1 calc R U P G 2
H23C H 0.749828 0.754524 0.424559 0.038 Uiso 0.369(5) 1 calc R U P G 2
F8B F 1.2504(9) 0.6225(4) 1.2662(3) 0.0495(9) Uani 0.431(9) 1 d D . P E 2
C67 C 0.9323(4) 0.6890(3) 0.9309(3) 0.0331(15) Uani 1 1 d . . . . .
H67 H 0.899476 0.652148 0.921201 0.040 Uiso 1 1 calc R U . . .
C66 C 0.9520(4) 0.7157(3) 0.9744(2) 0.0308(14) Uani 1 1 d . . . . .
C58 C 1.0833(4) 0.7003(3) 1.1124(2) 0.0300(14) Uani 1 1 d . . . . .
H58 H 1.100219 0.720425 1.142079 0.036 Uiso 1 1 calc R U . . .
C97 C 1.5096(4) 0.7625(3) 1.2134(2) 0.0284(14) Uani 1 1 d . . . . .
H97 H 1.538249 0.796496 1.233487 0.034 Uiso 1 1 calc R U . . .
C29 C 1.2529(4) 0.7794(3) 0.8436(2) 0.0250(13) Uani 1 1 d . . . . .
C28 C 1.2983(5) 0.8001(3) 0.8170(2) 0.0311(15) Uani 1 1 d . . . . .
H28 H 1.320136 0.776096 0.801540 0.037 Uiso 1 1 calc R U . . .
C197 C 0.7143(4) 0.6112(3) 0.6082(2) 0.0287(14) Uani 1 1 d . . . . .
H197 H 0.712801 0.580078 0.587514 0.034 Uiso 1 1 calc R U . . .
C185 C 0.8834(5) 0.5783(3) 0.5856(3) 0.0375(17) Uani 1 1 d . . . . .
H185 H 0.854434 0.541751 0.583955 0.045 Uiso 1 1 calc R U . . .
C35 C 1.1949(4) 0.6083(3) 0.84559(19) 0.0249(13) Uani 1 1 d . . . . .
F3B F 1.4626(6) 0.4613(3) 1.0462(3) 0.0478(10) Uani 0.496(5) 1 d D . P D 2
C98 C 1.5400(4) 0.7191(3) 1.2167(2) 0.0246(13) Uani 1 1 d . . . . .
C59 C 1.0194(4) 0.7082(3) 1.0829(2) 0.0336(15) Uani 1 1 d . . . . .
H59 H 0.993449 0.734126 1.091880 0.040 Uiso 1 1 calc R U . . .
C61 C 0.8516(4) 0.6687(3) 1.0044(3) 0.0314(16) Uani 1 1 d . . . . .
C218 C 0.3623(5) 0.9552(4) 0.3433(3) 0.0446(19) Uani 1 1 d . . . . .
H21P H 0.351775 0.978678 0.367228 0.053 Uiso 1 1 calc R U . . .
H21Q H 0.316394 0.947898 0.316457 0.053 Uiso 1 1 calc R U . . .
C64 C 0.7035(4) 0.5882(3) 1.0084(3) 0.0338(15) Uani 1 1 d . . . . .
H64A H 0.723774 0.560050 0.994672 0.051 Uiso 1 1 calc R U . . .
H64B H 0.684748 0.609158 0.986782 0.051 Uiso 1 1 calc R U . . .
H64C H 0.659183 0.570550 1.018468 0.051 Uiso 1 1 calc R U . . .
C25 C 1.4171(4) 1.0542(3) 0.8814(3) 0.0346(17) Uani 1 1 d . . . . .
C07T C 1.0165(4) 0.7807(3) 0.8391(2) 0.0352(16) Uani 1 1 d . . . . .
H07T H 0.973859 0.747928 0.827461 0.042 Uiso 1 1 calc R U . . .
C233 C 0.7915(14) 0.8528(7) 0.5079(7) 0.0254(8) Uani 0.369(5) 1 d D . P G 2
H23D H 0.753290 0.848684 0.479008 0.038 Uiso 0.369(5) 1 calc R U P G 2
H23E H 0.835965 0.885737 0.513664 0.038 Uiso 0.369(5) 1 calc R U P G 2
H23F H 0.765030 0.856346 0.530855 0.038 Uiso 0.369(5) 1 calc R U P G 2
C15 C 1.7962(5) 0.9024(3) 0.9223(3) 0.0411(18) Uani 1 1 d . . . . .
H15A H 1.785273 0.933546 0.938901 0.062 Uiso 1 1 calc R U . . .
H15B H 1.751183 0.884980 0.895621 0.062 Uiso 1 1 calc R U . . .
H15C H 1.844633 0.915367 0.914104 0.062 Uiso 1 1 calc R U . . .
C239 C 0.8271(12) 0.7726(8) 0.5911(6) 0.0254(8) Uani 0.369(5) 1 d D . P G 2
H23G H 0.861785 0.806099 0.587717 0.038 Uiso 0.369(5) 1 calc R U P G 2
H23H H 0.852628 0.742870 0.589009 0.038 Uiso 0.369(5) 1 calc R U P G 2
H23I H 0.817784 0.779120 0.619893 0.038 Uiso 0.369(5) 1 calc R U P G 2
C94 C 1.4524(4) 0.8632(3) 1.2011(3) 0.042(2) Uani 1 1 d . . . . .
H94 H 1.507533 0.870144 1.215755 0.050 Uiso 1 1 calc R U . . .
C143 C 0.7850(4) 1.0318(3) 0.3141(3) 0.0356(17) Uani 1 1 d . . . . .
H14D H 0.785199 1.062284 0.299015 0.053 Uiso 1 1 calc R U . . .
H14E H 0.805613 1.004808 0.299081 0.053 Uiso 1 1 calc R U . . .
H14F H 0.818847 1.045683 0.344784 0.053 Uiso 1 1 calc R U . . .
C161 C 0.5184(5) 0.6148(3) 0.4141(2) 0.0316(16) Uani 1 1 d . . . . .
H161 H 0.510442 0.650274 0.418324 0.038 Uiso 1 1 calc R U . . .
C158 C 0.4913(5) 0.5772(3) 0.4382(2) 0.0295(15) Uani 1 1 d . . . . .
C68 C 0.9603(4) 0.7159(3) 0.9014(2) 0.0301(14) Uani 1 1 d . . . . .
H68 H 0.945524 0.697535 0.871279 0.036 Uiso 1 1 calc R U . . .
C189 C 0.8721(4) 0.5835(3) 0.6833(3) 0.0360(18) Uani 1 1 d . . . . .
C180 C 1.0659(5) 0.6316(3) 0.4677(3) 0.0409(18) Uani 1 1 d D . . . .
C12 C 1.8075(4) 0.8611(3) 0.9508(2) 0.0298(14) Uani 1 1 d . . . . .
C11 C 1.7165(4) 0.8141(3) 0.9870(2) 0.0267(14) Uani 1 1 d . . . . .
C13 C 1.8773(5) 0.8867(3) 0.9925(3) 0.0381(17) Uani 1 1 d . . . . .
H13A H 1.924824 0.903130 0.984488 0.057 Uiso 1 1 calc R U . . .
H13B H 1.887385 0.858385 1.008727 0.057 Uiso 1 1 calc R U . . .
H13C H 1.864581 0.915216 1.011023 0.057 Uiso 1 1 calc R U . . .
C101 C 1.4400(6) 0.5788(4) 1.2709(3) 0.051(2) Uani 1 1 d . . . . .
H10C H 1.440481 0.617101 1.271010 0.077 Uiso 1 1 calc R U . . .
H10D H 1.494212 0.575385 1.275327 0.077 Uiso 1 1 calc R U . . .
H10E H 1.420092 0.567292 1.294652 0.077 Uiso 1 1 calc R U . . .
C154 C 0.2991(4) 0.5281(3) 0.5254(3) 0.0319(11) Uani 1 1 d . . . . .
C17 C 1.5169(4) 0.8143(3) 0.9469(2) 0.0254(13) Uani 1 1 d . . . . .
H17A H 1.503662 0.775741 0.936430 0.030 Uiso 1 1 calc R U . . .
C142 C 0.6475(6) 0.9777(3) 0.2670(3) 0.050(2) Uani 1 1 d . . . . .
H14G H 0.594683 0.958123 0.267768 0.075 Uiso 1 1 calc R U . . .
H14H H 0.671088 0.951597 0.253365 0.075 Uiso 1 1 calc R U . . .
H14I H 0.642457 1.005764 0.249680 0.075 Uiso 1 1 calc R U . . .
C14 C 1.8159(4) 0.8087(3) 0.9254(3) 0.0402(18) Uani 1 1 d . . . . .
H14J H 1.769367 0.793016 0.899176 0.060 Uiso 1 1 calc R U . . .
H14K H 1.819320 0.782216 0.944327 0.060 Uiso 1 1 calc R U . . .
H14L H 1.864267 0.817342 0.916319 0.060 Uiso 1 1 calc R U . . .
C73 C 1.0460(4) 0.8075(3) 0.8096(2) 0.0344(16) Uani 1 1 d . . . . .
C50 C 1.1230(4) 0.4833(3) 1.1076(2) 0.0368(18) Uani 1 1 d . . . . .
C63 C 0.7906(5) 0.5974(3) 1.0848(3) 0.0406(19) Uani 1 1 d . . . . .
H63A H 0.744758 0.586693 1.095839 0.061 Uiso 1 1 calc R U . . .
H63B H 0.835658 0.622409 1.108750 0.061 Uiso 1 1 calc R U . . .
H63C H 0.805309 0.564563 1.074214 0.061 Uiso 1 1 calc R U . . .
C210 C 1.2380(5) 0.6046(4) 0.7182(3) 0.0453(18) Uani 1 1 d . . . . .
H21A H 1.219015 0.600370 0.744103 0.054 Uiso 1 1 calc R U . . .
H21B H 1.268831 0.577779 0.714710 0.054 Uiso 1 1 calc R U . . .
C51 C 1.2741(4) 0.6727(3) 1.2550(2) 0.042(2) Uani 1 1 d D . . . .
C91 C 1.4191(5) 0.9071(3) 1.1981(3) 0.046(2) Uani 1 1 d . . . . .
H91 H 1.451750 0.943784 1.209989 0.055 Uiso 1 1 calc R U . . .
C131 C 0.3880(5) 0.7121(4) 0.4048(2) 0.055(3) Uani 1 1 d . . . . .
H131 H 0.382938 0.703502 0.374192 0.066 Uiso 1 1 calc R U . . .
C211 C 1.2920(6) 0.6606(4) 0.7272(3) 0.061(2) Uani 1 1 d . . . . .
H21C H 1.308642 0.666164 0.701108 0.091 Uiso 1 1 calc R U . . .
H21D H 1.339098 0.665049 0.752238 0.091 Uiso 1 1 calc R U . . .
H21E H 1.264176 0.687624 0.734391 0.091 Uiso 1 1 calc R U . . .
C65 C 0.7510(4) 0.6797(3) 1.0634(3) 0.0360(17) Uani 1 1 d . . . . .
H65A H 0.739352 0.698335 1.038982 0.054 Uiso 1 1 calc R U . . .
H65B H 0.797399 0.703554 1.087189 0.054 Uiso 1 1 calc R U . . .
H65C H 0.704869 0.671570 1.074485 0.054 Uiso 1 1 calc R U . . .
C37 C 1.0498(5) 0.4165(3) 0.7862(2) 0.0396(17) Uani 1 1 d . . . . .
C103 C 1.0532(6) 0.9674(5) 0.7928(3) 0.068(3) Uani 1 1 d . . . . .
H10F H 1.009884 0.958817 0.765072 0.102 Uiso 1 1 calc R U . . .
H10G H 1.063975 1.005761 0.807588 0.102 Uiso 1 1 calc R U . . .
H10H H 1.037775 0.943345 0.811950 0.102 Uiso 1 1 calc R U . . .
C214 C 1.1213(6) 0.6336(4) 0.6771(3) 0.050(2) Uani 1 1 d . . . . .
H21F H 1.071509 0.620361 0.652107 0.060 Uiso 1 1 calc R U . . .
H21G H 1.154405 0.667080 0.671863 0.060 Uiso 1 1 calc R U . . .
C62 C 0.7687(4) 0.6261(3) 1.0470(3) 0.0315(15) Uani 1 1 d . . . . .
C86 C 1.1788(6) 1.0210(3) 1.2400(3) 0.046(2) Uani 1 1 d . . . . .
H86A H 1.161147 1.046572 1.258422 0.069 Uiso 1 1 calc R U . . .
H86B H 1.197027 0.995055 1.256746 0.069 Uiso 1 1 calc R U . . .
H86C H 1.134348 1.000878 1.213643 0.069 Uiso 1 1 calc R U . . .
C115 C 1.0166(5) 1.1273(3) 0.6687(3) 0.047(2) Uani 1 1 d . . . . .
H11A H 0.962452 1.128408 0.667887 0.071 Uiso 1 1 calc R U . . .
H11B H 1.016311 1.109223 0.639534 0.071 Uiso 1 1 calc R U . . .
H11C H 1.051963 1.164749 0.676891 0.071 Uiso 1 1 calc R U . . .
C213 C 1.1094(6) 0.5374(4) 0.6748(3) 0.054(2) Uani 1 1 d . . . . .
H21H H 1.061334 0.531038 0.649346 0.065 Uiso 1 1 calc R U . . .
H21I H 1.092475 0.540492 0.701803 0.065 Uiso 1 1 calc R U . . .
C179 C 1.0586(10) 0.5840(6) 0.4274(6) 0.0409(18) Uani 0.31(2) 1 d D . P A 2
C102 C 1.1247(5) 0.9587(4) 0.7833(3) 0.0440(19) Uani 1 1 d D . . . .
H10I H 1.111465 0.922109 0.763762 0.053 Uiso 1 1 calc R U . . .
H10J H 1.144935 0.986709 0.767709 0.053 Uiso 1 1 calc R U . . .
C130 C 0.3255(6) 0.6857(5) 0.4194(3) 0.072(4) Uani 1 1 d D . . . .
C89 C 1.2195(6) 1.0914(3) 1.1994(3) 0.044(2) Uani 1 1 d . . . . .
H89A H 1.172061 1.071507 1.174561 0.065 Uiso 1 1 calc R U . . .
H89B H 1.262580 1.108165 1.188122 0.065 Uiso 1 1 calc R U . . .
H89C H 1.206951 1.120134 1.217807 0.065 Uiso 1 1 calc R U . . .
C74 C 1.0049(5) 0.7823(4) 0.7594(3) 0.048(2) Uani 1 1 d . . . . .
C118 C 1.0373(6) 1.1141(4) 0.7477(3) 0.062(3) Uani 1 1 d . . . . .
H11D H 1.065757 1.153119 0.759263 0.093 Uiso 1 1 calc R U . . .
H11E H 1.059802 1.092583 0.767715 0.093 Uiso 1 1 calc R U . . .
H11F H 0.980738 1.108535 0.745249 0.093 Uiso 1 1 calc R U . . .
C38 C 1.0231(6) 0.3739(3) 0.8114(3) 0.059(2) Uani 1 1 d . . . . .
H38A H 1.069943 0.366969 0.830438 0.089 Uiso 1 1 calc R U . . .
H38B H 0.989600 0.339797 0.790472 0.089 Uiso 1 1 calc R U . . .
H38C H 0.992570 0.387559 0.829575 0.089 Uiso 1 1 calc R U . . .
C40 C 0.9789(5) 0.4294(4) 0.7587(3) 0.057(2) Uani 1 1 d . . . . .
H40A H 0.952115 0.445708 0.777919 0.086 Uiso 1 1 calc R U . . .
H40B H 0.941875 0.395564 0.738795 0.086 Uiso 1 1 calc R U . . .
H40C H 0.996238 0.455403 0.741270 0.086 Uiso 1 1 calc R U . . .
C88 C 1.3186(5) 1.0818(4) 1.2649(3) 0.052(2) Uani 1 1 d . . . . .
H88A H 1.310214 1.114794 1.280445 0.078 Uiso 1 1 calc R U . . .
H88B H 1.364574 1.092221 1.254071 0.078 Uiso 1 1 calc R U . . .
H88C H 1.328447 1.057459 1.285286 0.078 Uiso 1 1 calc R U . . .
C207 C 0.6600(6) 0.5209(4) 0.2046(3) 0.050(2) Uani 1 1 d . . . . .
H20H H 0.610172 0.492009 0.189358 0.075 Uiso 1 1 calc R U . . .
H20I H 0.676811 0.519734 0.235864 0.075 Uiso 1 1 calc R U . . .
H20J H 0.701355 0.514982 0.191284 0.075 Uiso 1 1 calc R U . . .
C116 C 1.1312(4) 1.0959(3) 0.7050(3) 0.0437(19) Uani 1 1 d . . . . .
H11G H 1.133734 1.080886 0.675702 0.066 Uiso 1 1 calc R U . . .
H11H H 1.148929 1.073265 0.725450 0.066 Uiso 1 1 calc R U . . .
H11I H 1.165778 1.133584 0.715731 0.066 Uiso 1 1 calc R U . . .
C166 C 0.4057(4) 0.3901(3) 0.2833(3) 0.049(2) Uani 1 1 d . . . . .
H16A H 0.405131 0.393691 0.313998 0.074 Uiso 1 1 calc R U . . .
H16B H 0.379122 0.352020 0.267127 0.074 Uiso 1 1 calc R U . . .
H16C H 0.377632 0.414503 0.269500 0.074 Uiso 1 1 calc R U . . .
C26 C 1.3572(6) 0.8713(4) 0.7799(3) 0.051(2) Uani 1 1 d . . . . .
C99 C 1.6181(5) 0.7276(3) 1.2538(3) 0.055(3) Uani 1 1 d . . . . .
C230 C 1.2074(8) 0.7361(6) 0.9632(5) 0.0294(8) Uani 0.405(5) 1 d D . P F 2
H23X H 1.181359 0.766074 0.963320 0.035 Uiso 0.405(5) 1 calc R U P F 2
H23Y H 1.226920 0.733316 0.937108 0.035 Uiso 0.405(5) 1 calc R U P F 2
C222 C 0.4378(6) 0.9071(4) 0.3920(3) 0.054(2) Uani 1 1 d . . . . .
H22P H 0.484610 0.919606 0.381628 0.065 Uiso 1 1 calc R U . . .
H22Q H 0.437451 0.870533 0.398441 0.065 Uiso 1 1 calc R U . . .
C215 C 1.1004(5) 0.6492(4) 0.7191(3) 0.048(2) Uani 1 1 d . . . . .
H21J H 1.072391 0.677570 0.716304 0.071 Uiso 1 1 calc R U . . .
H21K H 1.149278 0.663261 0.744077 0.071 Uiso 1 1 calc R U . . .
H21L H 1.065922 0.616735 0.724137 0.071 Uiso 1 1 calc R U . . .
C39 C 1.1029(6) 0.3993(4) 0.7606(4) 0.079(4) Uani 1 1 d . . . . .
H39A H 1.123768 0.429173 0.747311 0.119 Uiso 1 1 calc R U . . .
H39B H 1.071977 0.366596 0.737297 0.119 Uiso 1 1 calc R U . . .
H39C H 1.147259 0.390856 0.780586 0.119 Uiso 1 1 calc R U . . .
C190 C 0.8366(8) 0.5442(7) 0.7419(5) 0.027(3) Uani 0.593(17) 1 d D U P H 2
C129 C 0.2453(6) 0.6560(4) 0.3843(3) 0.064(3) Uani 1 1 d D . . . .
C220 C 0.2923(6) 0.8804(4) 0.3733(3) 0.056(2) Uani 1 1 d . . . . .
H22R H 0.293898 0.909773 0.397540 0.067 Uiso 1 1 calc R U . . .
H22S H 0.242955 0.875197 0.349066 0.067 Uiso 1 1 calc R U . . .
C224 C 1.2562(10) 0.7573(7) 1.0437(6) 0.0294(8) Uani 0.405(5) 1 d D . P F 2
H22G H 1.304786 0.774639 1.069032 0.035 Uiso 0.405(5) 1 calc R U P F 2
H22H H 1.234325 0.719785 1.047451 0.035 Uiso 0.405(5) 1 calc R U P F 2
C238 C 0.7448(10) 0.7558(7) 0.5533(4) 0.0254(8) Uani 0.369(5) 1 d D . P G 2
H23J H 0.710701 0.720693 0.555416 0.030 Uiso 0.369(5) 1 calc R U P G 2
H23K H 0.716778 0.784316 0.556590 0.030 Uiso 0.369(5) 1 calc R U P G 2
C221 C 0.2863(7) 0.8274(5) 0.3900(4) 0.075(3) Uani 1 1 d . . . . .
H22T H 0.281143 0.797170 0.365954 0.112 Uiso 1 1 calc R U . . .
H22U H 0.239481 0.819284 0.400539 0.112 Uiso 1 1 calc R U . . .
H22V H 0.334382 0.831738 0.414305 0.112 Uiso 1 1 calc R U . . .
C234 C 0.8074(9) 0.7075(5) 0.5030(6) 0.0254(8) Uani 0.369(5) 1 d D . P G 2
H23L H 0.859674 0.719551 0.526074 0.030 Uiso 0.369(5) 1 calc R U P G 2
H23M H 0.816998 0.705461 0.473877 0.030 Uiso 0.369(5) 1 calc R U P G 2
C236 C 0.6873(9) 0.7359(7) 0.4705(4) 0.0254(8) Uani 0.369(5) 1 d D . P G 2
H23N H 0.663275 0.766859 0.471129 0.030 Uiso 0.369(5) 1 calc R U P G 2
H23O H 0.647811 0.703219 0.472456 0.030 Uiso 0.369(5) 1 calc R U P G 2
C167 C 0.5345(6) 0.3688(4) 0.3039(4) 0.069(3) Uani 1 1 d . . . . .
H16D H 0.591188 0.381781 0.306518 0.104 Uiso 1 1 calc R U . . .
H16E H 0.512478 0.331230 0.286141 0.104 Uiso 1 1 calc R U . . .
H16F H 0.528210 0.369554 0.333405 0.104 Uiso 1 1 calc R U . . .
C208 C 1.1986(7) 0.5889(6) 0.6371(3) 0.077(4) Uani 1 1 d . . . . .
H20A H 1.232314 0.563420 0.638386 0.093 Uiso 1 1 calc R U . . .
H20B H 1.232607 0.625978 0.639053 0.093 Uiso 1 1 calc R U . . .
C219 C 0.4364(5) 0.9875(5) 0.3343(3) 0.056(2) Uani 1 1 d . . . . .
H21R H 0.447555 0.965072 0.310469 0.085 Uiso 1 1 calc R U . . .
H21S H 0.481947 0.997146 0.361107 0.085 Uiso 1 1 calc R U . . .
H21T H 0.427492 1.021154 0.325628 0.085 Uiso 1 1 calc R U . . .
C212 C 1.1411(8) 0.4875(5) 0.6702(5) 0.089(4) Uani 1 1 d . . . . .
H21M H 1.156720 0.483204 0.643154 0.133 Uiso 1 1 calc R U . . .
H21N H 1.099481 0.454609 0.668872 0.133 Uiso 1 1 calc R U . . .
H21O H 1.187486 0.492473 0.695755 0.133 Uiso 1 1 calc R U . . .
C235 C 0.7603(12) 0.6494(6) 0.5057(6) 0.0254(8) Uani 0.369(5) 1 d D . P G 2
H23P H 0.710549 0.636132 0.481280 0.038 Uiso 0.369(5) 1 calc R U P G 2
H23Q H 0.748122 0.651868 0.533840 0.038 Uiso 0.369(5) 1 calc R U P G 2
H23R H 0.792742 0.623891 0.503725 0.038 Uiso 0.369(5) 1 calc R U P G 2
C168 C 0.4950(7) 0.4061(5) 0.2360(3) 0.078(4) Uani 1 1 d . . . . .
H16G H 0.469489 0.433089 0.224686 0.117 Uiso 1 1 calc R U . . .
H16H H 0.467130 0.369581 0.216941 0.117 Uiso 1 1 calc R U . . .
H16I H 0.550777 0.415880 0.236286 0.117 Uiso 1 1 calc R U . . .
C192 C 0.8166(10) 0.4854(7) 0.7198(6) 0.040(3) Uani 0.593(17) 1 d . . P H 2
H19A H 0.760342 0.472737 0.702081 0.060 Uiso 0.593(17) 1 calc R U P H 2
H19B H 0.826108 0.463601 0.742150 0.060 Uiso 0.593(17) 1 calc R U P H 2
H19C H 0.850025 0.481232 0.700571 0.060 Uiso 0.593(17) 1 calc R U P H 2
C191 C 0.9226(10) 0.5688(7) 0.7734(5) 0.028(3) Uani 0.593(17) 1 d . . P H 2
H19D H 0.960411 0.560395 0.758171 0.042 Uiso 0.593(17) 1 calc R U P H 2
H19E H 0.928293 0.552845 0.799544 0.042 Uiso 0.593(17) 1 calc R U P H 2
H19F H 0.933560 0.608679 0.782438 0.042 Uiso 0.593(17) 1 calc R U P H 2
C216 C 0.3669(6) 0.8571(4) 0.3197(3) 0.063(3) Uani 1 1 d . . . . .
H21U H 0.373415 0.824348 0.331419 0.075 Uiso 1 1 calc R U . . .
H21V H 0.412844 0.870587 0.308921 0.075 Uiso 1 1 calc R U . . .
C223 C 0.4480(8) 0.9462(5) 0.4341(4) 0.073(3) Uani 1 1 d . . . . .
H22W H 0.446470 0.982352 0.427983 0.109 Uiso 1 1 calc R U . . .
H22X H 0.499427 0.949471 0.455330 0.109 Uiso 1 1 calc R U . . .
H22Y H 0.404940 0.932419 0.446318 0.109 Uiso 1 1 calc R U . . .
C226 C 1.3360(9) 0.7153(6) 1.0041(5) 0.0294(8) Uani 0.405(5) 1 d D . P F 2
H22I H 1.381350 0.728242 1.031532 0.035 Uiso 0.405(5) 1 calc R U P F 2
H22J H 1.306754 0.677528 1.003979 0.035 Uiso 0.405(5) 1 calc R U P F 2
C193 C 0.7770(9) 0.5556(8) 0.7643(6) 0.043(4) Uani 0.593(17) 1 d . . P H 2
H19G H 0.792103 0.594822 0.777905 0.065 Uiso 0.593(17) 1 calc R U P H 2
H19H H 0.775815 0.534239 0.787107 0.065 Uiso 0.593(17) 1 calc R U P H 2
H19I H 0.724113 0.545227 0.742525 0.065 Uiso 0.593(17) 1 calc R U P H 2
C1A C 0.8237(9) 0.8013(5) 0.5083(6) 0.0254(8) Uani 0.369(5) 1 d D . P G 2
H1AA H 0.840812 0.793724 0.481670 0.030 Uiso 0.369(5) 1 calc R U P G 2
H1AB H 0.870871 0.809253 0.534484 0.030 Uiso 0.369(5) 1 calc R U P G 2
C228 C 1.3210(8) 0.8109(5) 1.0000(5) 0.0294(8) Uani 0.405(5) 1 d D . P F 2
H22K H 1.330329 0.806872 0.970745 0.035 Uiso 0.405(5) 1 calc R U P F 2
H22L H 1.282981 0.833222 0.999849 0.035 Uiso 0.405(5) 1 calc R U P F 2
C229 C 1.3985(9) 0.8416(7) 1.0347(5) 0.0294(8) Uani 0.405(5) 1 d D . P F 2
H22M H 1.416947 0.878413 1.029596 0.044 Uiso 0.405(5) 1 calc R U P F 2
H22N H 1.438377 0.821755 1.033121 0.044 Uiso 0.405(5) 1 calc R U P F 2
H22O H 1.390623 0.844507 1.063904 0.044 Uiso 0.405(5) 1 calc R U P F 2
C217 C 0.2896(9) 0.8413(5) 0.2813(4) 0.091(4) Uani 1 1 d . . . . .
H21W H 0.301607 0.851042 0.254925 0.137 Uiso 1 1 calc R U . . .
H21X H 0.252977 0.861114 0.289122 0.137 Uiso 1 1 calc R U . . .
H21Y H 0.264755 0.801705 0.275364 0.137 Uiso 1 1 calc R U . . .
O53 O 0.6814(5) 0.6777(3) 0.9018(2) 0.0678(19) Uani 1 1 d . . . . .
H53A H 0.716035 0.687592 0.926598 0.102 Uiso 1 1 calc R U . . .
C204 C 0.7047(9) 0.6392(7) 0.8717(6) 0.110(5) Uani 1 1 d . . . . .
H204 H 0.731355 0.650429 0.851264 0.131 Uiso 1 1 calc R U . . .
C205 C 0.6843(8) 0.5854(5) 0.8762(5) 0.086(4) Uani 1 1 d . . . . .
H20K H 0.685566 0.560922 0.850063 0.129 Uiso 1 1 calc R U . . .
H20L H 0.630524 0.575866 0.879230 0.129 Uiso 1 1 calc R U . . .
H20M H 0.722282 0.581268 0.902518 0.129 Uiso 1 1 calc R U . . .
C1B C 1.3467(6) 0.7557(4) 1.0515(3) 0.0294(8) Uani 0.595(5) 1 d D . P F 1
H1BA H 1.320848 0.749943 1.074760 0.035 Uiso 0.595(5) 1 calc R U P F 1
H1BB H 1.373980 0.726812 1.047626 0.035 Uiso 0.595(5) 1 calc R U P F 1
C1C C 1.2259(6) 0.6923(4) 1.0019(4) 0.0294(8) Uani 0.595(5) 1 d D . P F 1
H1CA H 1.257911 0.665785 1.002058 0.035 Uiso 0.595(5) 1 calc R U P F 1
H1CB H 1.205697 0.692184 1.027783 0.035 Uiso 0.595(5) 1 calc R U P F 1
C1D C 1.1571(7) 0.6742(6) 0.9609(5) 0.0294(8) Uani 0.595(5) 1 d D . P F 1
H1DA H 1.176463 0.669718 0.935180 0.044 Uiso 0.595(5) 1 calc R U P F 1
H1DB H 1.127580 0.701867 0.959368 0.044 Uiso 0.595(5) 1 calc R U P F 1
H1DC H 1.121803 0.639137 0.961308 0.044 Uiso 0.595(5) 1 calc R U P F 1
C1E C 1.3161(7) 0.7512(5) 0.9686(4) 0.0294(8) Uani 0.595(5) 1 d D . P F 1
H1EA H 1.272910 0.748020 0.941461 0.035 Uiso 0.595(5) 1 calc R U P F 1
H1EB H 1.355338 0.787363 0.974164 0.035 Uiso 0.595(5) 1 calc R U P F 1
C1F C 1.2396(7) 0.7923(5) 1.0107(4) 0.0294(8) Uani 0.595(5) 1 d D . P F 1
H1FA H 1.196600 0.785477 0.982625 0.035 Uiso 0.595(5) 1 calc R U P F 1
H1FB H 1.277407 0.828317 1.013786 0.035 Uiso 0.595(5) 1 calc R U P F 1
C1G C 1.2031(11) 0.7974(6) 1.0474(7) 0.0294(8) Uani 0.595(5) 1 d D . P F 1
H1GA H 1.165322 0.762237 1.045273 0.044 Uiso 0.595(5) 1 calc R U P F 1
H1GB H 1.175020 0.825815 1.045234 0.044 Uiso 0.595(5) 1 calc R U P F 1
H1GC H 1.245034 0.807540 1.075814 0.044 Uiso 0.595(5) 1 calc R U P F 1
C1H C 1.4067(6) 0.8115(4) 1.0651(4) 0.0294(8) Uani 0.595(5) 1 d D . P F 1
H1HA H 1.424078 0.820220 1.039867 0.044 Uiso 0.595(5) 1 calc R U P F 1
H1HB H 1.452801 0.811302 1.089051 0.044 Uiso 0.595(5) 1 calc R U P F 1
H1HC H 1.382228 0.839236 1.075417 0.044 Uiso 0.595(5) 1 calc R U P F 1
C1I C 1.3564(8) 0.7078(7) 0.9596(5) 0.0294(8) Uani 0.595(5) 1 d D . P F 1
H1IA H 1.385979 0.716762 0.938750 0.044 Uiso 0.595(5) 1 calc R U P F 1
H1IB H 1.316231 0.672203 0.946871 0.044 Uiso 0.595(5) 1 calc R U P F 1
H1IC H 1.393293 0.705905 0.987227 0.044 Uiso 0.595(5) 1 calc R U P F 1
C1J C 0.8342(5) 0.7576(4) 0.5463(3) 0.023(2) Uani 0.631(5) 1 d D . P G 1
H1JA H 0.874116 0.791480 0.546868 0.028 Uiso 0.631(5) 1 calc R U P G 1
H1JB H 0.856614 0.726349 0.540989 0.028 Uiso 0.631(5) 1 calc R U P G 1
C1K C 0.6936(6) 0.7003(3) 0.5111(3) 0.0254(8) Uani 0.631(5) 1 d D . P G 1
H1KA H 0.684686 0.707017 0.540333 0.030 Uiso 0.631(5) 1 calc R U P G 1
H1KB H 0.643447 0.698159 0.488508 0.030 Uiso 0.631(5) 1 calc R U P G 1
C1L C 0.7774(6) 0.7414(4) 0.4659(3) 0.0254(8) Uani 0.631(5) 1 d D . P G 1
H1LA H 0.797127 0.708613 0.462234 0.030 Uiso 0.631(5) 1 calc R U P G 1
H1LB H 0.819813 0.773581 0.465887 0.030 Uiso 0.631(5) 1 calc R U P G 1
C232 C 0.7210(6) 0.7968(3) 0.5147(3) 0.0254(8) Uani 0.631(5) 1 d D . P G 1
H23S H 0.671773 0.788821 0.489729 0.030 Uiso 0.631(5) 1 calc R U P G 1
H23T H 0.705905 0.798760 0.542273 0.030 Uiso 0.631(5) 1 calc R U P G 1
C1M C 0.8182(8) 0.7619(5) 0.5927(4) 0.0254(8) Uani 0.631(5) 1 d D . P G 1
H1MA H 0.784273 0.726672 0.593745 0.038 Uiso 0.631(5) 1 calc R U P G 1
H1MB H 0.791470 0.790584 0.596992 0.038 Uiso 0.631(5) 1 calc R U P G 1
H1MC H 0.869013 0.771223 0.616162 0.038 Uiso 0.631(5) 1 calc R U P G 1
C1N C 0.7124(7) 0.6445(4) 0.5032(3) 0.0254(8) Uani 0.631(5) 1 d D . P G 1
H1NA H 0.726752 0.639180 0.475765 0.038 Uiso 0.631(5) 1 calc R U P G 1
H1NB H 0.665475 0.614886 0.500935 0.038 Uiso 0.631(5) 1 calc R U P G 1
H1NC H 0.757067 0.644158 0.527941 0.038 Uiso 0.631(5) 1 calc R U P G 1
C1O C 0.7006(8) 0.7338(5) 0.4258(4) 0.0254(8) Uani 0.631(5) 1 d D . P G 1
H1OA H 0.707446 0.715465 0.398580 0.038 Uiso 0.631(5) 1 calc R U P G 1
H1OB H 0.692964 0.769760 0.422718 0.038 Uiso 0.631(5) 1 calc R U P G 1
H1OC H 0.653795 0.711293 0.431255 0.038 Uiso 0.631(5) 1 calc R U P G 1
C1P C 0.7771(8) 0.8525(4) 0.5161(4) 0.0254(8) Uani 0.631(5) 1 d D . P G 1
H1PA H 0.788173 0.851791 0.487733 0.038 Uiso 0.631(5) 1 calc R U P G 1
H1PB H 0.827067 0.859587 0.539733 0.038 Uiso 0.631(5) 1 calc R U P G 1
H1PC H 0.751643 0.881579 0.521661 0.038 Uiso 0.631(5) 1 calc R U P G 1
F33A F 1.0557(5) 0.5782(3) 0.4024(3) 0.0523(7) Uani 0.675(7) 1 d D . P A 1
F32A F 1.0605(5) 0.5359(3) 0.4541(3) 0.0523(7) Uani 0.675(7) 1 d D . P A 1
F31A F 1.1665(5) 0.5922(3) 0.4525(3) 0.0523(7) Uani 0.675(7) 1 d D . P A 1
F38A F 0.2231(9) 0.6100(5) 0.3627(6) 0.0523(7) Uani 0.358(9) 1 d D . P C 1
F37A F 0.2387(9) 0.6776(6) 0.3463(4) 0.0523(7) Uani 0.358(9) 1 d D . P C 1
F1A F 1.4757(6) 0.4569(3) 1.0884(4) 0.0478(10) Uani 0.504(5) 1 d D . P D 1
F3A F 1.5069(6) 0.4803(4) 1.0342(3) 0.0478(10) Uani 0.504(5) 1 d D . P D 1
F2A F 1.5940(5) 0.5091(4) 1.0968(4) 0.0478(10) Uani 0.504(5) 1 d D . P D 1
F8A F 1.2970(7) 0.6355(4) 1.2766(3) 0.0495(9) Uani 0.569(9) 1 d D . P E 1
F7A F 1.3418(5) 0.7185(4) 1.2746(3) 0.0495(9) Uani 0.569(9) 1 d D . P E 1
C240 C 0.8513(12) 0.5700(10) 0.7566(6) 0.027(3) Uani 0.407(17) 1 d D U P H 1
C241 C 0.8223(14) 0.5069(11) 0.7414(8) 0.042(5) Uani 0.407(17) 1 d . . P H 1
H24A H 0.767028 0.495841 0.722321 0.064 Uiso 0.407(17) 1 calc R U P H 1
H24B H 0.825324 0.490546 0.767276 0.064 Uiso 0.407(17) 1 calc R U P H 1
H24C H 0.856090 0.494315 0.725032 0.064 Uiso 0.407(17) 1 calc R U P H 1
C242 C 0.8013(15) 0.5922(14) 0.7823(9) 0.051(6) Uani 0.407(17) 1 d . . P H 1
H24D H 0.825077 0.631719 0.794128 0.077 Uiso 0.407(17) 1 calc R U P H 1
H24E H 0.799254 0.573593 0.806703 0.077 Uiso 0.407(17) 1 calc R U P H 1
H24F H 0.747126 0.585542 0.762697 0.077 Uiso 0.407(17) 1 calc R U P H 1
C243 C 0.9400(15) 0.5915(11) 0.7845(10) 0.036(6) Uani 0.407(17) 1 d . . P H 1
H24G H 0.971748 0.573350 0.769894 0.054 Uiso 0.407(17) 1 calc R U P H 1
H24H H 0.945957 0.583442 0.813836 0.054 Uiso 0.407(17) 1 calc R U P H 1
H24I H 0.958468 0.631220 0.787316 0.054 Uiso 0.407(17) 1 calc R U P H 1
O36A O 0.3201(3) 0.6910(2) 0.45886(17) 0.0152(12) Uani 0.678(8) 1 d D . P B 1
C209 C 1.1314(9) 0.5704(8) 0.5926(3) 0.131(7) Uani 1 1 d . . . . .
H20C H 1.154975 0.571552 0.568287 0.196 Uiso 1 1 calc R U . . .
H20D H 1.097265 0.595143 0.591427 0.196 Uiso 1 1 calc R U . . .
H20E H 1.099586 0.532900 0.589729 0.196 Uiso 1 1 calc R U . . .
C1Q C 1.0893(6) 0.5829(4) 0.4444(4) 0.0409(18) Uani 0.69(2) 1 d D . P A 1


_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
Eu1 O2 2.494(4) . ?
Eu1 O7 2.525(4) . ?
Eu1 O3 2.535(4) . ?
Eu1 O1 2.534(4) . ?
Eu1 O5 2.488(4) . ?
Eu1 O8 2.570(4) . ?
Eu1 O4 2.624(4) . ?
Eu1 O01A 2.542(4) . ?
Eu1 O6 2.532(4) . ?
Eu3 O30 2.538(4) . ?
Eu3 O26 2.525(4) . ?
Eu3 O29 2.596(4) . ?
Eu3 O27 2.517(4) . ?
Eu3 O28 2.512(4) . ?
Eu3 O33 2.530(4) . ?
Eu3 O34 2.585(4) . ?
Eu3 O32 2.496(4) . ?
Eu3 O31 2.526(5) . ?
Eu4 O38 2.560(4) . ?
Eu4 O35 2.519(4) . ?
Eu4 O39 2.504(4) . ?
Eu4 O40 2.490(4) . ?
Eu4 O37 2.542(4) . ?
Eu4 O42 2.502(4) . ?
Eu4 O43 2.595(5) . ?
Eu4 O41 2.514(5) . ?
Eu4 O36B 2.598(10) . ?
Eu4 O36A 2.544(6) . ?
Eu2 O14 2.527(4) . ?
Eu2 O10 2.527(4) . ?
Eu2 O12 2.520(4) . ?
Eu2 O15 2.529(5) . ?
Eu2 O13 2.485(4) . ?
Eu2 O11 2.515(5) . ?
Eu2 O16 2.502(5) . ?
Eu2 O9 2.538(4) . ?
Eu2 O17 2.640(5) . ?
F29 C153 1.344(7) . ?
F30 C153 1.352(7) . ?
F28 C153 1.343(7) . ?
F13 C75 1.323(8) . ?
F40 C203 1.336(8) . ?
F34 C178 1.334(7) . ?
O2 C4 1.251(7) . ?
O30 C182 1.258(7) . ?
F42 C203 1.341(8) . ?
O26 C150 1.244(7) . ?
O29 C105 1.256(7) . ?
O27 C152 1.250(7) . ?
F36 C178 1.340(8) . ?
O28 C107 1.252(7) . ?
O38 C127 1.249(7) . ?
O45 C114 1.340(7) . ?
O45 C117 1.482(7) . ?
F9 C51 1.313(7) . ?
F44 C128 1.320(8) . ?
O7 C47 1.255(7) . ?
O35 C132 1.247(8) . ?
O33 C177 1.243(7) . ?
F35 C178 1.337(8) . ?
F41 C203 1.337(8) . ?
O3 C96 1.245(7) . ?
O34 H34A 0.8880 . ?
O34 H34B 0.9054 . ?
O1 C2 1.233(8) . ?
F5 C99 1.360(9) . ?
O5 C52 1.237(8) . ?
O39 C200 1.249(7) . ?
O48 C164 1.323(7) . ?
O48 C165 1.478(7) . ?
F12 C50 1.353(8) . ?
F45 C128 1.319(9) . ?
O14 C78 1.256(7) . ?
F48 C154 1.363(8) . ?
O44 C114 1.209(7) . ?
O40 C202 1.263(7) . ?
O8 H8 0.8400 . ?
O8 C100 1.421(8) . ?
O21 C85 1.331(8) . ?
O21 C87 1.490(7) . ?
O52 H52 0.8400 . ?
O52 C206 1.426(9) . ?
O4 C98 1.275(8) . ?
O10 C27 1.240(8) . ?
O01A C54 1.263(7) . ?
O12 C22 1.250(8) . ?
O37 C125 1.248(7) . ?
F14 C75 1.333(9) . ?
O6 C49 1.263(8) . ?
O42 C155 1.253(8) . ?
O43 H43A 0.8895 . ?
O43 H43B 0.8912 . ?
F15 C75 1.349(8) . ?
O15 C72 1.243(8) . ?
O13 C76 1.264(7) . ?
O49 C164 1.189(8) . ?
F10 C50 1.345(9) . ?
F46 C154 1.316(9) . ?
F23 C25 1.340(8) . ?
F11 C50 1.329(9) . ?
O41 C157 1.253(8) . ?
O32 C175 1.257(7) . ?
O47 C141 1.490(7) . ?
O47 C139 1.329(7) . ?
N10 C238 1.500(12) . ?
N10 C234 1.545(12) . ?
N10 C236 1.494(12) . ?
N10 C1A 1.554(12) . ?
N10 C1J 1.495(9) . ?
N10 C1K 1.552(9) . ?
N10 C1L 1.501(9) . ?
N10 C232 1.545(9) . ?
O11 C24 1.243(8) . ?
O24 C36 1.323(8) . ?
O24 C37 1.500(8) . ?
F19 C26 1.341(9) . ?
F16 C74 1.314(10) . ?
O20 C85 1.204(8) . ?
N7 C114 1.386(7) . ?
N7 C119 1.436(7) . ?
N7 C113 1.450(7) . ?
F24 C25 1.281(9) . ?
O16 C73 1.227(9) . ?
O9 C29 1.255(8) . ?
F26 C104 1.312(9) . ?
F43 C128 1.342(8) . ?
N1 C84 1.438(8) . ?
N1 C90 1.436(8) . ?
N1 C85 1.390(8) . ?
O19 C12 1.483(8) . ?
O19 C11 1.329(8) . ?
O25 C36 1.220(8) . ?
O46 C139 1.207(8) . ?
N9 C230 1.581(12) . ?
N9 C224 1.383(17) . ?
N9 C226 1.513(12) . ?
N9 C228 1.603(12) . ?
N9 C1B 1.592(10) . ?
N9 C1C 1.572(10) . ?
N9 C1E 1.506(10) . ?
N9 C1F 1.434(12) . ?
O31 C180 1.259(8) . ?
F33B C179 1.365(15) . ?
O51 C189 1.215(8) . ?
F39 C129 1.326(8) . ?
O18 C11 1.211(8) . ?
F25 C104 1.319(10) . ?
N6 C164 1.386(8) . ?
N6 C163 1.437(9) . ?
N6 C169 1.436(8) . ?
O17 H17 0.875(10) . ?
O17 C102 1.425(9) . ?
F31B C179 1.369(16) . ?
N2 C16 1.441(8) . ?
N2 C10 1.439(8) . ?
N2 C11 1.370(8) . ?
C123 H123 0.9500 . ?
C123 C122 1.399(8) . ?
C123 C119 1.386(8) . ?
F18 C74 1.320(11) . ?
F27 C104 1.319(10) . ?
O22 C61 1.344(8) . ?
O22 C62 1.490(8) . ?
F21 C26 1.334(11) . ?
O23 C61 1.211(8) . ?
O36B C130 1.329(13) . ?
C110 H110 0.9500 . ?
C110 C113 1.378(8) . ?
C110 C109 1.382(8) . ?
C122 H122 0.9500 . ?
C122 C124 1.388(8) . ?
F47 C154 1.332(9) . ?
F22 C25 1.337(9) . ?
C79 C82 1.401(9) . ?
C79 C78 1.502(8) . ?
C79 C80 1.394(8) . ?
F32B C179 1.371(15) . ?
C124 C121 1.398(8) . ?
C124 C125 1.504(8) . ?
C150 C151 1.437(8) . ?
C150 C149 1.495(8) . ?
F20 C26 1.312(12) . ?
C4 C5 1.505(8) . ?
C4 C3 1.405(8) . ?
C107 C108 1.501(7) . ?
C107 C106 1.414(8) . ?
C108 C111 1.393(8) . ?
C108 C109 1.396(8) . ?
O50 C189 1.326(9) . ?
O50 C190 1.518(11) . ?
O50 C240 1.521(14) . ?
C82 H82 0.9500 . ?
C82 C83 1.392(9) . ?
F4 C99 1.337(11) . ?
N5 C194 1.435(8) . ?
N5 C188 1.438(8) . ?
N5 C189 1.379(8) . ?
C106 H106 0.9500 . ?
C106 C105 1.395(8) . ?
N3 C41 1.445(8) . ?
N3 C36 1.369(8) . ?
N3 C35 1.456(8) . ?
C146 H146 0.9500 . ?
C146 C149 1.409(8) . ?
C146 C145 1.376(9) . ?
C202 C201 1.395(8) . ?
C202 C203 1.528(9) . ?
C152 C151 1.385(8) . ?
C152 C153 1.527(8) . ?
C119 C120 1.388(8) . ?
F17 C74 1.334(11) . ?
C113 C112 1.409(8) . ?
C112 H112 0.9500 . ?
C112 C111 1.387(8) . ?
N8 C144 1.436(7) . ?
N8 C138 1.443(7) . ?
N8 C139 1.383(8) . ?
C178 C177 1.530(8) . ?
C148 H148 0.9500 . ?
C148 C149 1.385(9) . ?
C148 C147 1.391(8) . ?
C54 C53 1.424(8) . ?
C54 C55 1.487(8) . ?
F6 C99 1.318(13) . ?
C45 H45 0.9500 . ?
C45 C44 1.393(8) . ?
C45 C46 1.385(9) . ?
C111 H111 0.9500 . ?
C78 C77 1.414(8) . ?
C120 H120 0.9500 . ?
C120 C121 1.376(8) . ?
C151 H151 0.9500 . ?
F37B C129 1.274(10) . ?
C182 C183 1.493(8) . ?
C182 C181 1.406(9) . ?
C53 H53 0.9500 . ?
C53 C52 1.403(9) . ?
C20 H20 0.9500 . ?
C20 C19 1.383(9) . ?
C20 C21 1.387(9) . ?
F2B C1 1.323(10) . ?
C76 C77 1.368(9) . ?
C76 C75 1.531(9) . ?
N11 C210 1.536(10) . ?
N11 C214 1.508(9) . ?
N11 C213 1.475(13) . ?
N11 C208 1.547(10) . ?
C172 C171 1.398(8) . ?
C172 C174 1.397(9) . ?
C172 C175 1.513(8) . ?
N4 C60 1.446(8) . ?
N4 C66 1.445(9) . ?
N4 C61 1.357(9) . ?
C44 H44 0.9500 . ?
C44 C41 1.401(9) . ?
C201 H201 0.9500 . ?
C201 C200 1.410(8) . ?
C47 C46 1.514(8) . ?
C47 C48 1.421(8) . ?
C183 C186 1.389(9) . ?
C183 C184 1.407(9) . ?
C173 H173 0.9500 . ?
C173 C174 1.390(9) . ?
C173 C169 1.384(9) . ?
C5 C8 1.392(9) . ?
C5 C6 1.394(9) . ?
C170 H170 0.9500 . ?
C170 C171 1.397(8) . ?
C170 C169 1.392(10) . ?
C105 C104 1.525(9) . ?
C141 C140 1.515(10) . ?
C141 C143 1.527(9) . ?
C141 C142 1.502(10) . ?
C147 H147 0.9500 . ?
C147 C144 1.387(9) . ?
C109 H109 0.9500 . ?
C43 H43 0.9500 . ?
C43 C46 1.392(9) . ?
C43 C42 1.389(9) . ?
C127 C128 1.540(9) . ?
C127 C126 1.384(9) . ?
C70 H70 0.9500 . ?
C70 C71 1.374(10) . ?
C70 C69 1.381(9) . ?
F7B C51 1.276(11) . ?
C171 H171 0.9500 . ?
C41 C42 1.373(10) . ?
C206 H20F 0.9900 . ?
C206 H20G 0.9900 . ?
C206 C207 1.500(11) . ?
C177 C176 1.390(8) . ?
C174 H174 0.9500 . ?
C176 H176 0.9500 . ?
C176 C175 1.408(8) . ?
C84 C83 1.381(9) . ?
C84 C81 1.383(9) . ?
C96 C95 1.509(8) . ?
C96 C97 1.412(9) . ?
C8 H8A 0.9500 . ?
C8 C9 1.385(9) . ?
C196 H196 0.9500 . ?
C196 C199 1.394(9) . ?
C196 C195 1.390(9) . ?
C121 H121 0.9500 . ?
F38B C129 1.395(11) . ?
C56 H56 0.9500 . ?
C56 C55 1.396(9) . ?
C56 C57 1.397(9) . ?
C19 H19 0.9500 . ?
C19 C16 1.392(9) . ?
C125 C126 1.405(9) . ?
C132 C133 1.509(8) . ?
C132 C131 1.375(10) . ?
C21 C22 1.504(8) . ?
C21 C18 1.396(9) . ?
C83 H83 0.9500 . ?
C92 H92 0.9500 . ?
C92 C93 1.382(9) . ?
C92 C90 1.388(9) . ?
C77 H77 0.9500 . ?
C81 H81 0.9500 . ?
C81 C80 1.398(9) . ?
C100 H10A 0.9900 . ?
C100 H10B 0.9900 . ?
C100 C101 1.497(12) . ?
C95 C93 1.386(9) . ?
C95 C94 1.396(9) . ?
C55 C58 1.389(9) . ?
C186 H186 0.9500 . ?
C186 C187 1.394(9) . ?
C16 C17 1.360(10) . ?
C163 C160 1.389(9) . ?
C163 C162 1.375(10) . ?
C42 H42 0.9500 . ?
C133 C134 1.391(10) . ?
C133 C136 1.393(9) . ?
C199 C200 1.498(8) . ?
C199 C198 1.396(9) . ?
C7 H7 0.9500 . ?
C7 C6 1.382(9) . ?
C7 C10 1.390(9) . ?
C145 H145 0.9500 . ?
C145 C144 1.387(10) . ?
C134 H134 0.9500 . ?
C134 C135 1.401(9) . ?
C48 H48 0.9500 . ?
C48 C49 1.373(9) . ?
C156 H156 0.9500 . ?
C156 C155 1.389(10) . ?
C156 C157 1.397(9) . ?
C135 H135 0.9500 . ?
C135 C138 1.382(10) . ?
C136 H136 0.9500 . ?
C136 C137 1.398(9) . ?
C93 H93 0.9500 . ?
C227 H22A 0.9800 . ?
C227 H22B 0.9800 . ?
C227 H22C 0.9800 . ?
C227 C226 1.494(15) . ?
C6 H6 0.9500 . ?
C126 H126 0.9500 . ?
C80 H80 0.9500 . ?
C155 C154 1.555(9) . ?
C231 H23U 0.9800 . ?
C231 H23V 0.9800 . ?
C231 H23W 0.9800 . ?
C231 C230 1.499(15) . ?
C72 C71 1.495(9) . ?
C72 C07T 1.420(10) . ?
C117 C115 1.505(11) . ?
C117 C118 1.525(11) . ?
C117 C116 1.520(10) . ?
C57 H57 0.9500 . ?
C57 C60 1.385(10) . ?
C52 C51 1.522(9) . ?
C71 C68 1.409(9) . ?
C60 C59 1.372(10) . ?
C225 H22D 0.9800 . ?
C225 H22E 0.9800 . ?
C225 H22F 0.9800 . ?
C225 C224 1.494(15) . ?
C49 C50 1.516(9) . ?
C195 H195 0.9500 . ?
C195 C194 1.387(10) . ?
C90 C91 1.372(10) . ?
C2 C1 1.530(9) . ?
C2 C3 1.406(9) . ?
C10 C9 1.393(9) . ?
C184 H184 0.9500 . ?
C184 C185 1.389(10) . ?
C160 H160 0.9500 . ?
C160 C159 1.386(10) . ?
C1 F1B 1.369(9) . ?
C1 F3B 1.303(10) . ?
C1 F1A 1.302(9) . ?
C1 F3A 1.368(9) . ?
C1 F2A 1.319(10) . ?
C33 H33 0.9500 . ?
C33 C30 1.385(10) . ?
C33 C34 1.389(9) . ?
C3 H3 0.9500 . ?
C137 H137 0.9500 . ?
C137 C138 1.389(10) . ?
C69 H69 0.9500 . ?
C69 C66 1.397(10) . ?
C181 H181 0.9500 . ?
C181 C180 1.378(9) . ?
C23 H23 0.9500 . ?
C23 C22 1.418(9) . ?
C23 C24 1.388(9) . ?
C27 C28 1.394(9) . ?
C27 C26 1.528(10) . ?
C31 H31 0.9500 . ?
C31 C30 1.404(9) . ?
C31 C32 1.389(9) . ?
C198 H198 0.9500 . ?
C198 C197 1.374(9) . ?
C194 C197 1.391(10) . ?
C157 C158 1.510(10) . ?
C30 C29 1.508(9) . ?
C32 H32 0.9500 . ?
C32 C35 1.364(10) . ?
C18 H18 0.9500 . ?
C18 C17 1.375(9) . ?
C87 C86 1.483(11) . ?
C87 C89 1.500(10) . ?
C87 C88 1.512(10) . ?
C34 H34 0.9500 . ?
C34 C35 1.390(10) . ?
C140 H14A 0.9800 . ?
C140 H14B 0.9800 . ?
C140 H14C 0.9800 . ?
C165 C166 1.514(10) . ?
C165 C167 1.499(12) . ?
C165 C168 1.504(12) . ?
C24 C25 1.544(9) . ?
C159 H159 0.9500 . ?
C159 C158 1.385(10) . ?
C187 H187 0.9500 . ?
C187 C188 1.381(9) . ?
C9 H9 0.9500 . ?
C188 C185 1.376(11) . ?
C162 H162 0.9500 . ?
C162 C161 1.381(10) . ?
N12 C218 1.514(12) . ?
N12 C222 1.464(13) . ?
N12 C220 1.578(11) . ?
N12 C216 1.508(12) . ?
C237 H23A 0.9800 . ?
C237 H23B 0.9800 . ?
C237 H23C 0.9800 . ?
C237 C236 1.582(15) . ?
F8B C51 1.390(11) . ?
C67 H67 0.9500 . ?
C67 C66 1.379(11) . ?
C67 C68 1.382(10) . ?
C58 H58 0.9500 . ?
C58 C59 1.371(10) . ?
C97 H97 0.9500 . ?
C97 C98 1.357(9) . ?
C29 C28 1.408(9) . ?
C28 H28 0.9500 . ?
C197 H197 0.9500 . ?
C185 H185 0.9500 . ?
C98 C99 1.543(10) . ?
C59 H59 0.9500 . ?
C218 H21P 0.9900 . ?
C218 H21Q 0.9900 . ?
C218 C219 1.525(13) . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C64 C62 1.499(11) . ?
C07T H07T 0.9500 . ?
C07T C73 1.392(10) . ?
C233 H23D 0.9800 . ?
C233 H23E 0.9800 . ?
C233 H23F 0.9800 . ?
C233 C1A 1.561(14) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C15 C12 1.514(10) . ?
C239 H23G 0.9800 . ?
C239 H23H 0.9800 . ?
C239 H23I 0.9800 . ?
C239 C238 1.580(15) . ?
C94 H94 0.9500 . ?
C94 C91 1.399(10) . ?
C143 H14D 0.9800 . ?
C143 H14E 0.9800 . ?
C143 H14F 0.9800 . ?
C161 H161 0.9500 . ?
C161 C158 1.402(9) . ?
C68 H68 0.9500 . ?
C180 C179 1.595(18) . ?
C180 C1Q 1.556(11) . ?
C12 C13 1.520(10) . ?
C12 C14 1.523(10) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C101 H10C 0.9800 . ?
C101 H10D 0.9800 . ?
C101 H10E 0.9800 . ?
C17 H17A 0.9500 . ?
C142 H14G 0.9800 . ?
C142 H14H 0.9800 . ?
C142 H14I 0.9800 . ?
C14 H14J 0.9800 . ?
C14 H14K 0.9800 . ?
C14 H14L 0.9800 . ?
C73 C74 1.558(11) . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C63 C62 1.527(10) . ?
C210 H21A 0.9900 . ?
C210 H21B 0.9900 . ?
C210 C211 1.480(14) . ?
C51 F8A 1.340(9) . ?
C51 F7A 1.414(10) . ?
C91 H91 0.9500 . ?
C131 H131 0.9500 . ?
C131 C130 1.405(11) . ?
C211 H21C 0.9800 . ?
C211 H21D 0.9800 . ?
C211 H21E 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C65 C62 1.531(10) . ?
C37 C38 1.517(13) . ?
C37 C40 1.495(11) . ?
C37 C39 1.513(12) . ?
C103 H10F 0.9800 . ?
C103 H10G 0.9800 . ?
C103 H10H 0.9800 . ?
C103 C102 1.458(12) . ?
C214 H21F 0.9900 . ?
C214 H21G 0.9900 . ?
C214 C215 1.516(11) . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C115 H11A 0.9800 . ?
C115 H11B 0.9800 . ?
C115 H11C 0.9800 . ?
C213 H21H 0.9900 . ?
C213 H21I 0.9900 . ?
C213 C212 1.523(12) . ?
C102 H10I 0.9900 . ?
C102 H10J 0.9900 . ?
C130 C129 1.536(13) . ?
C130 O36A 1.285(10) . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C118 H11D 0.9800 . ?
C118 H11E 0.9800 . ?
C118 H11F 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
C207 H20H 0.9800 . ?
C207 H20I 0.9800 . ?
C207 H20J 0.9800 . ?
C116 H11G 0.9800 . ?
C116 H11H 0.9800 . ?
C116 H11I 0.9800 . ?
C166 H16A 0.9800 . ?
C166 H16B 0.9800 . ?
C166 H16C 0.9800 . ?
C230 H23X 0.9900 . ?
C230 H23Y 0.9900 . ?
C222 H22P 0.9900 . ?
C222 H22Q 0.9900 . ?
C222 C223 1.502(14) . ?
C215 H21J 0.9800 . ?
C215 H21K 0.9800 . ?
C215 H21L 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C190 C192 1.49(2) . ?
C190 C191 1.549(19) . ?
C190 C193 1.498(18) . ?
C129 F38A 1.195(12) . ?
C129 F37A 1.402(12) . ?
C220 H22R 0.9900 . ?
C220 H22S 0.9900 . ?
C220 C221 1.525(14) . ?
C224 H22G 0.9900 . ?
C224 H22H 0.9900 . ?
C238 H23J 0.9900 . ?
C238 H23K 0.9900 . ?
C221 H22T 0.9800 . ?
C221 H22U 0.9800 . ?
C221 H22V 0.9800 . ?
C234 H23L 0.9900 . ?
C234 H23M 0.9900 . ?
C234 C235 1.564(14) . ?
C236 H23N 0.9900 . ?
C236 H23O 0.9900 . ?
C167 H16D 0.9800 . ?
C167 H16E 0.9800 . ?
C167 H16F 0.9800 . ?
C208 H20A 0.9900 . ?
C208 H20B 0.9900 . ?
C208 C209 1.548(16) . ?
C219 H21R 0.9800 . ?
C219 H21S 0.9800 . ?
C219 H21T 0.9800 . ?
C212 H21M 0.9800 . ?
C212 H21N 0.9800 . ?
C212 H21O 0.9800 . ?
C235 H23P 0.9800 . ?
C235 H23Q 0.9800 . ?
C235 H23R 0.9800 . ?
C168 H16G 0.9800 . ?
C168 H16H 0.9800 . ?
C168 H16I 0.9800 . ?
C192 H19A 0.9800 . ?
C192 H19B 0.9800 . ?
C192 H19C 0.9800 . ?
C191 H19D 0.9800 . ?
C191 H19E 0.9800 . ?
C191 H19F 0.9800 . ?
C216 H21U 0.9900 . ?
C216 H21V 0.9900 . ?
C216 C217 1.533(16) . ?
C223 H22W 0.9800 . ?
C223 H22X 0.9800 . ?
C223 H22Y 0.9800 . ?
C226 H22I 0.9900 . ?
C226 H22J 0.9900 . ?
C193 H19G 0.9800 . ?
C193 H19H 0.9800 . ?
C193 H19I 0.9800 . ?
C1A H1AA 0.9900 . ?
C1A H1AB 0.9900 . ?
C228 H22K 0.9900 . ?
C228 H22L 0.9900 . ?
C228 C229 1.503(14) . ?
C229 H22M 0.9800 . ?
C229 H22N 0.9800 . ?
C229 H22O 0.9800 . ?
C217 H21W 0.9800 . ?
C217 H21X 0.9800 . ?
C217 H21Y 0.9800 . ?
O53 H53A 0.8400 . ?
O53 C204 1.485(19) . ?
C204 H204 0.9500 . ?
C204 C205 1.383(18) . ?
C205 H20K 0.9800 . ?
C205 H20L 0.9800 . ?
C205 H20M 0.9800 . ?
C1B H1BA 0.9900 . ?
C1B H1BB 0.9900 . ?
C1B C1H 1.510(12) . ?
C1C H1CA 0.9900 . ?
C1C H1CB 0.9900 . ?
C1C C1D 1.487(13) . ?
C1D H1DA 0.9800 . ?
C1D H1DB 0.9800 . ?
C1D H1DC 0.9800 . ?
C1E H1EA 0.9900 . ?
C1E H1EB 0.9900 . ?
C1E C1I 1.497(14) . ?
C1F H1FA 0.9900 . ?
C1F H1FB 0.9900 . ?
C1F C1G 1.495(14) . ?
C1G H1GA 0.9800 . ?
C1G H1GB 0.9800 . ?
C1G H1GC 0.9800 . ?
C1H H1HA 0.9800 . ?
C1H H1HB 0.9800 . ?
C1H H1HC 0.9800 . ?
C1I H1IA 0.9800 . ?
C1I H1IB 0.9800 . ?
C1I H1IC 0.9800 . ?
C1J H1JA 0.9900 . ?
C1J H1JB 0.9900 . ?
C1J C1M 1.582(12) . ?
C1K H1KA 0.9900 . ?
C1K H1KB 0.9900 . ?
C1K C1N 1.545(11) . ?
C1L H1LA 0.9900 . ?
C1L H1LB 0.9900 . ?
C1L C1O 1.586(12) . ?
C232 H23S 0.9900 . ?
C232 H23T 0.9900 . ?
C232 C1P 1.538(11) . ?
C1M H1MA 0.9800 . ?
C1M H1MB 0.9800 . ?
C1M H1MC 0.9800 . ?
C1N H1NA 0.9800 . ?
C1N H1NB 0.9800 . ?
C1N H1NC 0.9800 . ?
C1O H1OA 0.9800 . ?
C1O H1OB 0.9800 . ?
C1O H1OC 0.9800 . ?
C1P H1PA 0.9800 . ?
C1P H1PB 0.9800 . ?
C1P H1PC 0.9800 . ?
F33A C1Q 1.306(11) . ?
F32A C1Q 1.315(10) . ?
F31A C1Q 1.310(11) . ?
C240 C241 1.54(3) . ?
C240 C242 1.52(3) . ?
C240 C243 1.55(3) . ?
C241 H24A 0.9800 . ?
C241 H24B 0.9800 . ?
C241 H24C 0.9800 . ?
C242 H24D 0.9800 . ?
C242 H24E 0.9800 . ?
C242 H24F 0.9800 . ?
C243 H24G 0.9800 . ?
C243 H24H 0.9800 . ?
C243 H24I 0.9800 . ?
C209 H20C 0.9800 . ?
C209 H20D 0.9800 . ?
C209 H20E 0.9800 . ?

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
O2 Eu1 O7 71.14(13) . . ?
O2 Eu1 O3 70.78(13) . . ?
O2 Eu1 O1 68.90(13) . . ?
O2 Eu1 O8 125.24(14) . . ?
O2 Eu1 O4 75.43(13) . . ?
O2 Eu1 O01A 105.30(13) . . ?
O2 Eu1 O6 138.45(14) . . ?
O7 Eu1 O3 111.41(13) . . ?
O7 Eu1 O1 74.17(14) . . ?
O7 Eu1 O8 120.44(14) . . ?
O7 Eu1 O4 144.55(14) . . ?
O7 Eu1 O01A 70.10(13) . . ?
O7 Eu1 O6 68.15(13) . . ?
O3 Eu1 O8 128.15(14) . . ?
O3 Eu1 O4 66.85(13) . . ?
O3 Eu1 O01A 68.06(13) . . ?
O1 Eu1 O3 134.47(14) . . ?
O1 Eu1 O8 65.23(14) . . ?
O1 Eu1 O4 83.20(14) . . ?
O1 Eu1 O01A 143.52(14) . . ?
O5 Eu1 O2 139.80(14) . . ?
O5 Eu1 O7 134.65(14) . . ?
O5 Eu1 O3 70.54(14) . . ?
O5 Eu1 O1 138.51(13) . . ?
O5 Eu1 O8 73.48(14) . . ?
O5 Eu1 O4 79.77(14) . . ?
O5 Eu1 O01A 69.43(13) . . ?
O5 Eu1 O6 78.45(15) . . ?
O8 Eu1 O4 71.06(14) . . ?
O01A Eu1 O8 129.37(14) . . ?
O01A Eu1 O4 131.58(13) . . ?
O6 Eu1 O3 132.81(14) . . ?
O6 Eu1 O1 92.08(15) . . ?
O6 Eu1 O8 71.69(15) . . ?
O6 Eu1 O4 140.81(13) . . ?
O6 Eu1 O01A 68.14(14) . . ?
O30 Eu3 O29 68.62(13) . . ?
O30 Eu3 O34 121.41(13) . . ?
O26 Eu3 O30 107.00(13) . . ?
O26 Eu3 O29 136.03(13) . . ?
O26 Eu3 O33 75.32(14) . . ?
O26 Eu3 O34 131.59(13) . . ?
O26 Eu3 O31 139.08(18) . . ?
O27 Eu3 O30 143.54(13) . . ?
O27 Eu3 O26 67.39(12) . . ?
O27 Eu3 O29 90.35(13) . . ?
O27 Eu3 O33 80.69(13) . . ?
O27 Eu3 O34 73.72(13) . . ?
O27 Eu3 O31 140.88(14) . . ?
O28 Eu3 O30 70.97(13) . . ?
O28 Eu3 O26 69.02(13) . . ?
O28 Eu3 O29 68.45(13) . . ?
O28 Eu3 O27 73.70(13) . . ?
O28 Eu3 O33 141.89(14) . . ?
O28 Eu3 O34 125.63(14) . . ?
O28 Eu3 O31 135.38(15) . . ?
O33 Eu3 O30 134.38(13) . . ?
O33 Eu3 O29 140.29(14) . . ?
O33 Eu3 O34 70.87(14) . . ?
O34 Eu3 O29 69.47(13) . . ?
O32 Eu3 O30 70.01(13) . . ?
O32 Eu3 O26 68.44(14) . . ?
O32 Eu3 O29 136.96(13) . . ?
O32 Eu3 O27 131.21(14) . . ?
O32 Eu3 O28 108.26(14) . . ?
O32 Eu3 O33 69.01(13) . . ?
O32 Eu3 O34 125.98(15) . . ?
O32 Eu3 O31 71.95(19) . . ?
O31 Eu3 O30 67.49(14) . . ?
O31 Eu3 O29 81.74(18) . . ?
O31 Eu3 O33 81.44(17) . . ?
O31 Eu3 O34 67.60(15) . . ?
O38 Eu4 O43 68.13(14) . . ?
O38 Eu4 O36B 99.1(3) . . ?
O35 Eu4 O38 73.11(14) . . ?
O35 Eu4 O37 68.46(14) . . ?
O35 Eu4 O43 121.49(14) . . ?
O35 Eu4 O36B 68.2(3) . . ?
O35 Eu4 O36A 66.96(15) . . ?
O39 Eu4 O38 133.78(13) . . ?
O39 Eu4 O35 110.53(14) . . ?
O39 Eu4 O37 69.58(14) . . ?
O39 Eu4 O43 127.97(14) . . ?
O39 Eu4 O41 70.88(16) . . ?
O39 Eu4 O36B 125.7(3) . . ?
O39 Eu4 O36A 146.03(17) . . ?
O40 Eu4 O38 79.15(14) . . ?
O40 Eu4 O35 137.37(14) . . ?
O40 Eu4 O39 68.07(13) . . ?
O40 Eu4 O37 71.89(14) . . ?
O40 Eu4 O42 89.74(14) . . ?
O40 Eu4 O43 74.50(15) . . ?
O40 Eu4 O41 136.94(15) . . ?
O40 Eu4 O36B 149.4(3) . . ?
O40 Eu4 O36A 138.09(15) . . ?
O37 Eu4 O38 69.79(13) . . ?
O37 Eu4 O43 129.83(15) . . ?
O37 Eu4 O36B 136.6(3) . . ?
O37 Eu4 O36A 131.29(16) . . ?
O42 Eu4 O38 136.39(15) . . ?
O42 Eu4 O35 132.45(14) . . ?
O42 Eu4 O39 76.60(15) . . ?
O42 Eu4 O37 145.54(15) . . ?
O42 Eu4 O43 68.26(15) . . ?
O42 Eu4 O41 68.42(15) . . ?
O42 Eu4 O36B 70.3(3) . . ?
O42 Eu4 O36A 81.69(17) . . ?
O43 Eu4 O36B 76.5(3) . . ?
O41 Eu4 O38 141.84(15) . . ?
O41 Eu4 O35 70.22(14) . . ?
O41 Eu4 O37 105.30(16) . . ?
O41 Eu4 O43 124.64(16) . . ?
O41 Eu4 O36B 57.4(3) . . ?
O41 Eu4 O36A 76.98(19) . . ?
O36A Eu4 O38 79.38(17) . . ?
O36A Eu4 O43 64.18(16) . . ?
O14 Eu2 O15 70.45(14) . . ?
O14 Eu2 O9 108.35(14) . . ?
O14 Eu2 O17 127.62(15) . . ?
O10 Eu2 O14 141.78(15) . . ?
O10 Eu2 O15 134.11(15) . . ?
O10 Eu2 O9 68.24(14) . . ?
O10 Eu2 O17 68.32(15) . . ?
O12 Eu2 O14 70.22(14) . . ?
O12 Eu2 O10 73.08(15) . . ?
O12 Eu2 O15 110.14(14) . . ?
O12 Eu2 O9 70.92(15) . . ?
O12 Eu2 O17 125.31(15) . . ?
O15 Eu2 O9 70.09(14) . . ?
O15 Eu2 O17 124.51(15) . . ?
O13 Eu2 O14 68.25(14) . . ?
O13 Eu2 O10 137.84(14) . . ?
O13 Eu2 O12 133.45(15) . . ?
O13 Eu2 O15 74.38(15) . . ?
O13 Eu2 O11 86.54(15) . . ?
O13 Eu2 O16 85.55(16) . . ?
O13 Eu2 O9 142.88(16) . . ?
O13 Eu2 O17 69.58(15) . . ?
O11 Eu2 O14 82.77(14) . . ?
O11 Eu2 O10 74.02(15) . . ?
O11 Eu2 O12 68.17(14) . . ?
O11 Eu2 O15 151.33(14) . . ?
O11 Eu2 O9 130.44(14) . . ?
O11 Eu2 O17 65.01(16) . . ?
O16 Eu2 O14 135.38(15) . . ?
O16 Eu2 O10 81.32(17) . . ?
O16 Eu2 O12 140.28(15) . . ?
O16 Eu2 O15 67.95(15) . . ?
O16 Eu2 O11 132.67(15) . . ?
O16 Eu2 O9 71.60(16) . . ?
O16 Eu2 O17 68.51(16) . . ?
O9 Eu2 O17 124.02(16) . . ?
C4 O2 Eu1 138.5(4) . . ?
C182 O30 Eu3 138.6(4) . . ?
C150 O26 Eu3 140.7(3) . . ?
C105 O29 Eu3 132.2(4) . . ?
C152 O27 Eu3 136.1(3) . . ?
C107 O28 Eu3 139.2(4) . . ?
C127 O38 Eu4 132.3(4) . . ?
C114 O45 C117 120.5(5) . . ?
C47 O7 Eu1 137.2(4) . . ?
C132 O35 Eu4 139.7(4) . . ?
C177 O33 Eu3 134.1(4) . . ?
C96 O3 Eu1 139.4(4) . . ?
Eu3 O34 H34A 111.8 . . ?
Eu3 O34 H34B 110.8 . . ?
H34A O34 H34B 104.2 . . ?
C2 O1 Eu1 133.2(4) . . ?
C52 O5 Eu1 135.3(4) . . ?
C200 O39 Eu4 138.2(4) . . ?
C164 O48 C165 120.2(5) . . ?
C78 O14 Eu2 135.5(4) . . ?
C202 O40 Eu4 133.8(4) . . ?
Eu1 O8 H8 115.0 . . ?
C100 O8 Eu1 131.3(4) . . ?
C100 O8 H8 109.5 . . ?
C85 O21 C87 120.2(5) . . ?
C206 O52 H52 109.5 . . ?
C98 O4 Eu1 132.2(4) . . ?
C27 O10 Eu2 135.9(4) . . ?
C54 O01A Eu1 137.3(4) . . ?
C22 O12 Eu2 135.4(4) . . ?
C125 O37 Eu4 137.1(4) . . ?
C49 O6 Eu1 132.0(4) . . ?
C155 O42 Eu4 134.9(4) . . ?
Eu4 O43 H43A 110.3 . . ?
Eu4 O43 H43B 110.2 . . ?
H43A O43 H43B 103.6 . . ?
C72 O15 Eu2 138.9(4) . . ?
C76 O13 Eu2 132.4(4) . . ?
C157 O41 Eu4 139.0(5) . . ?
C175 O32 Eu3 139.1(4) . . ?
C139 O47 C141 120.0(5) . . ?
C238 N10 C234 112.5(9) . . ?
C238 N10 C1A 110.3(9) . . ?
C234 N10 C1A 97.6(9) . . ?
C236 N10 C238 114.8(10) . . ?
C236 N10 C234 109.0(10) . . ?
C236 N10 C1A 111.4(9) . . ?
C1J N10 C1K 109.9(6) . . ?
C1J N10 C1L 110.1(6) . . ?
C1J N10 C232 112.9(6) . . ?
C1L N10 C1K 111.4(6) . . ?
C1L N10 C232 111.4(6) . . ?
C232 N10 C1K 101.0(6) . . ?
C24 O11 Eu2 129.6(4) . . ?
C36 O24 C37 120.0(5) . . ?
C114 N7 C119 119.9(5) . . ?
C114 N7 C113 121.6(5) . . ?
C119 N7 C113 114.8(4) . . ?
C73 O16 Eu2 134.6(4) . . ?
C29 O9 Eu2 138.2(4) . . ?
C90 N1 C84 116.7(5) . . ?
C85 N1 C84 124.1(5) . . ?
C85 N1 C90 118.9(5) . . ?
C11 O19 C12 121.1(5) . . ?
C230 N9 C228 95.8(8) . . ?
C224 N9 C230 110.6(10) . . ?
C224 N9 C226 117.0(10) . . ?
C224 N9 C228 108.9(10) . . ?
C226 N9 C230 112.7(9) . . ?
C226 N9 C228 109.7(9) . . ?
C1C N9 C1B 98.8(6) . . ?
C1E N9 C1B 111.1(7) . . ?
C1E N9 C1C 109.6(7) . . ?
C1F N9 C1B 111.3(7) . . ?
C1F N9 C1C 111.5(7) . . ?
C1F N9 C1E 113.7(7) . . ?
C180 O31 Eu3 134.5(4) . . ?
C164 N6 C163 124.7(5) . . ?
C164 N6 C169 118.0(5) . . ?
C169 N6 C163 116.8(5) . . ?
Eu2 O17 H17 110.9(15) . . ?
C102 O17 Eu2 138.2(5) . . ?
C102 O17 H17 107.5(16) . . ?
C10 N2 C16 115.5(5) . . ?
C11 N2 C16 125.1(5) . . ?
C11 N2 C10 119.0(5) . . ?
C122 C123 H123 120.1 . . ?
C119 C123 H123 120.1 . . ?
C119 C123 C122 119.7(5) . . ?
C61 O22 C62 120.4(5) . . ?
C130 O36B Eu4 123.4(8) . . ?
C113 C110 H110 120.2 . . ?
C113 C110 C109 119.7(5) . . ?
C109 C110 H110 120.2 . . ?
C123 C122 H122 119.8 . . ?
C124 C122 C123 120.3(5) . . ?
C124 C122 H122 119.8 . . ?
C82 C79 C78 118.3(5) . . ?
C80 C79 C82 118.7(6) . . ?
C80 C79 C78 123.0(5) . . ?
C122 C124 C121 118.7(5) . . ?
C122 C124 C125 118.3(5) . . ?
C121 C124 C125 122.9(5) . . ?
O26 C150 C151 123.3(5) . . ?
O26 C150 C149 117.6(5) . . ?
C151 C150 C149 119.0(5) . . ?
O2 C4 C5 116.9(5) . . ?
O2 C4 C3 125.0(6) . . ?
C3 C4 C5 118.1(5) . . ?
O28 C107 C108 116.6(5) . . ?
O28 C107 C106 124.9(5) . . ?
C106 C107 C108 118.4(5) . . ?
C111 C108 C107 118.2(5) . . ?
C111 C108 C109 118.7(5) . . ?
C109 C108 C107 123.0(5) . . ?
C189 O50 C190 116.4(7) . . ?
C189 O50 C240 125.9(9) . . ?
C79 C82 H82 119.8 . . ?
C83 C82 C79 120.3(6) . . ?
C83 C82 H82 119.8 . . ?
C194 N5 C188 115.5(5) . . ?
C189 N5 C194 125.4(5) . . ?
C189 N5 C188 119.0(5) . . ?
C107 C106 H106 118.3 . . ?
C105 C106 C107 123.4(6) . . ?
C105 C106 H106 118.3 . . ?
C41 N3 C35 114.9(5) . . ?
C36 N3 C41 126.1(6) . . ?
C36 N3 C35 117.2(5) . . ?
C149 C146 H146 119.8 . . ?
C145 C146 H146 119.8 . . ?
C145 C146 C149 120.3(6) . . ?
O40 C202 C201 128.9(6) . . ?
O40 C202 C203 112.9(5) . . ?
C201 C202 C203 118.2(5) . . ?
O27 C152 C151 129.7(5) . . ?
O27 C152 C153 113.0(5) . . ?
C151 C152 C153 117.2(5) . . ?
O45 C114 N7 109.6(5) . . ?
O44 C114 O45 126.9(5) . . ?
O44 C114 N7 123.4(5) . . ?
C123 C119 N7 118.3(5) . . ?
C123 C119 C120 120.2(5) . . ?
C120 C119 N7 121.3(5) . . ?
C110 C113 N7 121.4(5) . . ?
C110 C113 C112 120.6(5) . . ?
C112 C113 N7 117.8(5) . . ?
C113 C112 H112 120.6 . . ?
C111 C112 C113 118.8(5) . . ?
C111 C112 H112 120.6 . . ?
C144 N8 C138 115.7(5) . . ?
C139 N8 C144 126.2(5) . . ?
C139 N8 C138 117.8(5) . . ?
F34 C178 F36 105.7(5) . . ?
F34 C178 F35 106.0(6) . . ?
F34 C178 C177 112.5(5) . . ?
F36 C178 C177 114.3(6) . . ?
F35 C178 F36 106.6(5) . . ?
F35 C178 C177 111.1(5) . . ?
C149 C148 H148 119.2 . . ?
C149 C148 C147 121.6(6) . . ?
C147 C148 H148 119.2 . . ?
O01A C54 C53 124.7(6) . . ?
O01A C54 C55 116.6(5) . . ?
C53 C54 C55 118.6(5) . . ?
C44 C45 H45 119.5 . . ?
C46 C45 H45 119.5 . . ?
C46 C45 C44 121.0(6) . . ?
C108 C111 H111 119.4 . . ?
C112 C111 C108 121.1(5) . . ?
C112 C111 H111 119.4 . . ?
O14 C78 C79 116.7(5) . . ?
O14 C78 C77 124.5(5) . . ?
C77 C78 C79 118.8(5) . . ?
C119 C120 H120 120.2 . . ?
C121 C120 C119 119.7(5) . . ?
C121 C120 H120 120.2 . . ?
C150 C151 H151 119.0 . . ?
C152 C151 C150 122.0(5) . . ?
C152 C151 H151 119.0 . . ?
O30 C182 C183 116.0(5) . . ?
O30 C182 C181 124.7(5) . . ?
C181 C182 C183 119.2(5) . . ?
C54 C53 H53 118.8 . . ?
C52 C53 C54 122.4(6) . . ?
C52 C53 H53 118.8 . . ?
C19 C20 H20 119.8 . . ?
C19 C20 C21 120.3(6) . . ?
C21 C20 H20 119.8 . . ?
O13 C76 C77 129.5(6) . . ?
O13 C76 C75 112.3(5) . . ?
C77 C76 C75 118.2(5) . . ?
C210 N11 C208 106.0(7) . . ?
C214 N11 C210 111.7(7) . . ?
C214 N11 C208 108.3(6) . . ?
C213 N11 C210 110.4(6) . . ?
C213 N11 C214 108.2(7) . . ?
C213 N11 C208 112.4(8) . . ?
C171 C172 C175 116.9(5) . . ?
C174 C172 C171 119.5(6) . . ?
C174 C172 C175 123.6(5) . . ?
C66 N4 C60 116.9(5) . . ?
C61 N4 C60 122.8(6) . . ?
C61 N4 C66 120.3(5) . . ?
C45 C44 H44 120.5 . . ?
C45 C44 C41 119.0(6) . . ?
C41 C44 H44 120.5 . . ?
C202 C201 H201 118.9 . . ?
C202 C201 C200 122.2(5) . . ?
C200 C201 H201 118.9 . . ?
C146 C149 C150 116.7(5) . . ?
C148 C149 C150 125.1(5) . . ?
C148 C149 C146 118.1(5) . . ?
O7 C47 C46 115.9(5) . . ?
O7 C47 C48 124.4(5) . . ?
C48 C47 C46 119.7(5) . . ?
C186 C183 C182 118.4(5) . . ?
C186 C183 C184 118.3(6) . . ?
C184 C183 C182 123.3(6) . . ?
C174 C173 H173 120.2 . . ?
C169 C173 H173 120.2 . . ?
C169 C173 C174 119.7(6) . . ?
C8 C5 C4 117.0(5) . . ?
C8 C5 C6 119.5(6) . . ?
C6 C5 C4 123.5(5) . . ?
C171 C170 H170 120.4 . . ?
C169 C170 H170 120.5 . . ?
C169 C170 C171 119.1(6) . . ?
O29 C105 C106 130.0(6) . . ?
O29 C105 C104 114.0(5) . . ?
C106 C105 C104 116.0(6) . . ?
O47 C141 C140 110.3(5) . . ?
O47 C141 C143 101.3(5) . . ?
O47 C141 C142 108.3(5) . . ?
C140 C141 C143 110.2(6) . . ?
C142 C141 C140 114.4(7) . . ?
C142 C141 C143 111.5(6) . . ?
F29 C153 F30 106.2(5) . . ?
F29 C153 C152 114.6(5) . . ?
F30 C153 C152 111.0(5) . . ?
F28 C153 F29 106.6(5) . . ?
F28 C153 F30 106.4(5) . . ?
F28 C153 C152 111.5(5) . . ?
C148 C147 H147 120.3 . . ?
C144 C147 C148 119.3(6) . . ?
C144 C147 H147 120.3 . . ?
C110 C109 C108 121.1(5) . . ?
C110 C109 H109 119.4 . . ?
C108 C109 H109 119.4 . . ?
C46 C43 H43 119.5 . . ?
C42 C43 H43 119.5 . . ?
C42 C43 C46 121.0(6) . . ?
O38 C127 C128 112.1(5) . . ?
O38 C127 C126 130.3(6) . . ?
C126 C127 C128 117.6(6) . . ?
C71 C70 H70 119.3 . . ?
C71 C70 C69 121.4(6) . . ?
C69 C70 H70 119.3 . . ?
C172 C171 H171 119.8 . . ?
C170 C171 C172 120.3(6) . . ?
C170 C171 H171 119.8 . . ?
C44 C41 N3 117.2(6) . . ?
C42 C41 N3 122.1(6) . . ?
C42 C41 C44 120.5(6) . . ?
C45 C46 C47 118.1(5) . . ?
C45 C46 C43 118.7(6) . . ?
C43 C46 C47 123.2(6) . . ?
O52 C206 H20F 110.0 . . ?
O52 C206 H20G 110.0 . . ?
O52 C206 C207 108.4(6) . . ?
H20F C206 H20G 108.4 . . ?
C207 C206 H20F 110.0 . . ?
C207 C206 H20G 110.0 . . ?
O33 C177 C178 113.9(5) . . ?
O33 C177 C176 129.9(5) . . ?
C176 C177 C178 116.2(5) . . ?
C172 C174 H174 119.8 . . ?
C173 C174 C172 120.3(6) . . ?
C173 C174 H174 119.8 . . ?
C177 C176 H176 118.4 . . ?
C177 C176 C175 123.2(5) . . ?
C175 C176 H176 118.4 . . ?
F40 C203 F42 107.0(5) . . ?
F40 C203 F41 107.3(6) . . ?
F40 C203 C202 110.8(6) . . ?
F42 C203 C202 111.3(6) . . ?
F41 C203 F42 106.0(6) . . ?
F41 C203 C202 114.1(5) . . ?
C83 C84 N1 118.3(6) . . ?
C83 C84 C81 120.2(6) . . ?
C81 C84 N1 121.3(6) . . ?
O3 C96 C95 115.9(5) . . ?
O3 C96 C97 124.0(6) . . ?
C97 C96 C95 120.0(6) . . ?
C5 C8 H8A 119.8 . . ?
C9 C8 C5 120.5(6) . . ?
C9 C8 H8A 119.8 . . ?
O48 C164 N6 109.7(5) . . ?
O49 C164 O48 127.1(6) . . ?
O49 C164 N6 123.1(6) . . ?
C199 C196 H196 120.0 . . ?
C195 C196 H196 120.0 . . ?
C195 C196 C199 120.0(6) . . ?
C124 C121 H121 119.4 . . ?
C120 C121 C124 121.3(6) . . ?
C120 C121 H121 119.4 . . ?
C55 C56 H56 119.7 . . ?
C55 C56 C57 120.6(6) . . ?
C57 C56 H56 119.7 . . ?
C20 C19 H19 120.3 . . ?
C20 C19 C16 119.3(6) . . ?
C16 C19 H19 120.3 . . ?
O37 C125 C124 116.9(5) . . ?
O37 C125 C126 125.1(6) . . ?
C126 C125 C124 117.9(5) . . ?
O35 C132 C133 116.5(6) . . ?
O35 C132 C131 123.3(6) . . ?
C131 C132 C133 120.1(6) . . ?
C20 C21 C22 122.9(6) . . ?
C20 C21 C18 119.4(6) . . ?
C18 C21 C22 117.6(6) . . ?
C82 C83 H83 119.9 . . ?
C84 C83 C82 120.3(6) . . ?
C84 C83 H83 119.9 . . ?
C93 C92 H92 120.0 . . ?
C93 C92 C90 120.1(6) . . ?
C90 C92 H92 120.0 . . ?
C78 C77 H77 118.6 . . ?
C76 C77 C78 122.8(6) . . ?
C76 C77 H77 118.6 . . ?
C84 C81 H81 120.1 . . ?
C84 C81 C80 119.8(6) . . ?
C80 C81 H81 120.1 . . ?
O8 C100 H10A 109.1 . . ?
O8 C100 H10B 109.1 . . ?
O8 C100 C101 112.7(6) . . ?
H10A C100 H10B 107.8 . . ?
C101 C100 H10A 109.1 . . ?
C101 C100 H10B 109.1 . . ?
C93 C95 C96 117.7(5) . . ?
C93 C95 C94 118.4(6) . . ?
C94 C95 C96 123.9(6) . . ?
C56 C55 C54 118.1(5) . . ?
C58 C55 C54 124.1(6) . . ?
C58 C55 C56 117.8(6) . . ?
F44 C128 F43 106.0(6) . . ?
F44 C128 C127 112.2(6) . . ?
F45 C128 F44 106.9(5) . . ?
F45 C128 F43 107.0(6) . . ?
F45 C128 C127 110.0(6) . . ?
F43 C128 C127 114.2(5) . . ?
C183 C186 H186 119.6 . . ?
C183 C186 C187 120.9(6) . . ?
C187 C186 H186 119.6 . . ?
C19 C16 N2 121.3(6) . . ?
C17 C16 N2 118.3(6) . . ?
C17 C16 C19 120.3(6) . . ?
C160 C163 N6 121.9(6) . . ?
C162 C163 N6 118.8(6) . . ?
C162 C163 C160 119.2(6) . . ?
C43 C42 H42 120.2 . . ?
C41 C42 C43 119.6(6) . . ?
C41 C42 H42 120.2 . . ?
C134 C133 C132 116.5(6) . . ?
C134 C133 C136 120.2(6) . . ?
C136 C133 C132 123.4(6) . . ?
C196 C199 C200 123.8(5) . . ?
C196 C199 C198 118.8(6) . . ?
C198 C199 C200 117.4(5) . . ?
C6 C7 H7 120.0 . . ?
C6 C7 C10 120.0(6) . . ?
C10 C7 H7 120.0 . . ?
C146 C145 H145 119.6 . . ?
C146 C145 C144 120.8(6) . . ?
C144 C145 H145 119.6 . . ?
C133 C134 H134 120.2 . . ?
C133 C134 C135 119.6(6) . . ?
C135 C134 H134 120.2 . . ?
C47 C48 H48 118.5 . . ?
C49 C48 C47 123.0(6) . . ?
C49 C48 H48 118.5 . . ?
C173 C169 N6 120.4(6) . . ?
C173 C169 C170 121.1(6) . . ?
C170 C169 N6 118.5(6) . . ?
C155 C156 H156 118.4 . . ?
C155 C156 C157 123.2(6) . . ?
C157 C156 H156 118.4 . . ?
C134 C135 H135 120.0 . . ?
C138 C135 C134 120.0(6) . . ?
C138 C135 H135 120.0 . . ?
F13 C75 F14 107.9(5) . . ?
F13 C75 F15 106.5(6) . . ?
F13 C75 C76 114.6(6) . . ?
F14 C75 F15 105.9(6) . . ?
F14 C75 C76 109.8(6) . . ?
F15 C75 C76 111.7(5) . . ?
C133 C136 H136 120.0 . . ?
C133 C136 C137 120.0(7) . . ?
C137 C136 H136 120.0 . . ?
C92 C93 C95 120.9(6) . . ?
C92 C93 H93 119.5 . . ?
C95 C93 H93 119.5 . . ?
H22A C227 H22B 109.5 . . ?
H22A C227 H22C 109.5 . . ?
H22B C227 H22C 109.5 . . ?
C226 C227 H22A 109.5 . . ?
C226 C227 H22B 109.5 . . ?
C226 C227 H22C 109.5 . . ?
C147 C144 N8 122.2(6) . . ?
C145 C144 N8 118.1(6) . . ?
C145 C144 C147 119.7(6) . . ?
C5 C6 H6 119.9 . . ?
C7 C6 C5 120.2(6) . . ?
C7 C6 H6 119.9 . . ?
O32 C175 C172 116.0(5) . . ?
O32 C175 C176 124.5(5) . . ?
C176 C175 C172 119.5(5) . . ?
C127 C126 C125 125.0(6) . . ?
C127 C126 H126 117.5 . . ?
C125 C126 H126 117.5 . . ?
C79 C80 C81 120.6(6) . . ?
C79 C80 H80 119.7 . . ?
C81 C80 H80 119.7 . . ?
O42 C155 C156 129.5(6) . . ?
O42 C155 C154 110.5(6) . . ?
C156 C155 C154 120.0(6) . . ?
H23U C231 H23V 109.5 . . ?
H23U C231 H23W 109.5 . . ?
H23V C231 H23W 109.5 . . ?
C230 C231 H23U 109.5 . . ?
C230 C231 H23V 109.5 . . ?
C230 C231 H23W 109.5 . . ?
O15 C72 C71 116.5(6) . . ?
O15 C72 C07T 122.9(6) . . ?
C07T C72 C71 120.6(6) . . ?
O45 C117 C115 108.9(6) . . ?
O45 C117 C118 109.2(6) . . ?
O45 C117 C116 101.9(5) . . ?
C115 C117 C118 114.8(7) . . ?
C115 C117 C116 109.6(7) . . ?
C116 C117 C118 111.6(7) . . ?
C56 C57 H57 120.4 . . ?
C60 C57 C56 119.2(6) . . ?
C60 C57 H57 120.4 . . ?
O5 C52 C53 130.7(6) . . ?
O5 C52 C51 114.2(5) . . ?
C53 C52 C51 115.1(6) . . ?
C70 C71 C72 118.7(6) . . ?
C70 C71 C68 118.2(6) . . ?
C68 C71 C72 123.1(6) . . ?
C57 C60 N4 117.2(6) . . ?
C59 C60 N4 121.8(6) . . ?
C59 C60 C57 120.9(6) . . ?
H22D C225 H22E 109.5 . . ?
H22D C225 H22F 109.5 . . ?
H22E C225 H22F 109.5 . . ?
C224 C225 H22D 109.5 . . ?
C224 C225 H22E 109.5 . . ?
C224 C225 H22F 109.5 . . ?
O6 C49 C48 129.8(6) . . ?
O6 C49 C50 112.8(5) . . ?
C48 C49 C50 117.4(6) . . ?
C196 C195 H195 119.8 . . ?
C194 C195 C196 120.4(6) . . ?
C194 C195 H195 119.8 . . ?
O39 C200 C201 124.2(5) . . ?
O39 C200 C199 116.8(5) . . ?
C201 C200 C199 119.1(5) . . ?
C92 C90 N1 118.0(6) . . ?
C91 C90 N1 121.8(6) . . ?
C91 C90 C92 120.1(6) . . ?
O1 C2 C1 115.0(5) . . ?
O1 C2 C3 130.0(6) . . ?
C3 C2 C1 114.9(5) . . ?
C7 C10 N2 121.0(6) . . ?
C7 C10 C9 120.2(6) . . ?
C9 C10 N2 118.6(6) . . ?
C183 C184 H184 119.7 . . ?
C185 C184 C183 120.6(7) . . ?
C185 C184 H184 119.7 . . ?
C163 C160 H160 120.2 . . ?
C159 C160 C163 119.5(7) . . ?
C159 C160 H160 120.2 . . ?
O21 C85 N1 110.9(6) . . ?
O20 C85 O21 127.3(6) . . ?
O20 C85 N1 121.8(6) . . ?
F2B C1 C2 116.0(6) . . ?
F2B C1 F1B 102.5(7) . . ?
F1B C1 C2 112.3(6) . . ?
F3B C1 F2B 111.1(8) . . ?
F3B C1 C2 111.2(6) . . ?
F3B C1 F1B 102.7(7) . . ?
F1A C1 C2 113.9(6) . . ?
F1A C1 F3A 103.0(7) . . ?
F1A C1 F2A 112.1(7) . . ?
F3A C1 C2 112.5(6) . . ?
F2A C1 C2 110.7(6) . . ?
F2A C1 F3A 103.9(7) . . ?
O24 C36 N3 110.9(6) . . ?
O25 C36 O24 127.5(6) . . ?
O25 C36 N3 121.6(6) . . ?
F26 C104 F25 108.7(8) . . ?
F26 C104 F27 105.0(7) . . ?
F26 C104 C105 116.1(6) . . ?
F25 C104 F27 105.1(7) . . ?
F25 C104 C105 110.4(7) . . ?
F27 C104 C105 110.9(7) . . ?
C30 C33 H33 120.2 . . ?
C30 C33 C34 119.6(6) . . ?
C34 C33 H33 120.2 . . ?
C4 C3 C2 122.4(6) . . ?
C4 C3 H3 118.8 . . ?
C2 C3 H3 118.8 . . ?
C136 C137 H137 120.2 . . ?
C138 C137 C136 119.5(6) . . ?
C138 C137 H137 120.2 . . ?
C70 C69 H69 120.1 . . ?
C70 C69 C66 119.8(7) . . ?
C66 C69 H69 120.1 . . ?
C182 C181 H181 118.8 . . ?
C180 C181 C182 122.3(6) . . ?
C180 C181 H181 118.8 . . ?
C22 C23 H23 118.6 . . ?
C24 C23 H23 118.6 . . ?
C24 C23 C22 122.7(6) . . ?
O12 C22 C21 116.6(5) . . ?
O12 C22 C23 124.3(6) . . ?
C23 C22 C21 118.9(6) . . ?
O10 C27 C28 129.5(6) . . ?
O10 C27 C26 112.1(6) . . ?
C28 C27 C26 118.3(6) . . ?
C30 C31 H31 119.9 . . ?
C32 C31 H31 119.9 . . ?
C32 C31 C30 120.2(7) . . ?
C199 C198 H198 119.4 . . ?
C197 C198 C199 121.2(6) . . ?
C197 C198 H198 119.4 . . ?
C195 C194 N5 122.1(6) . . ?
C195 C194 C197 119.7(6) . . ?
C197 C194 N5 118.0(6) . . ?
O41 C157 C156 124.1(6) . . ?
O41 C157 C158 116.3(6) . . ?
C156 C157 C158 119.6(6) . . ?
C33 C30 C31 119.3(6) . . ?
C33 C30 C29 118.2(6) . . ?
C31 C30 C29 122.4(6) . . ?
C31 C32 H32 120.0 . . ?
C35 C32 C31 120.1(6) . . ?
C35 C32 H32 120.0 . . ?
C21 C18 H18 120.2 . . ?
C17 C18 C21 119.6(6) . . ?
C17 C18 H18 120.2 . . ?
O21 C87 C89 101.7(5) . . ?
O21 C87 C88 110.3(6) . . ?
C86 C87 O21 109.1(6) . . ?
C86 C87 C89 111.5(7) . . ?
C86 C87 C88 113.1(7) . . ?
C89 C87 C88 110.6(7) . . ?
C33 C34 H34 119.7 . . ?
C33 C34 C35 120.5(7) . . ?
C35 C34 H34 119.7 . . ?
C141 C140 H14A 109.5 . . ?
C141 C140 H14B 109.5 . . ?
C141 C140 H14C 109.5 . . ?
H14A C140 H14B 109.5 . . ?
H14A C140 H14C 109.5 . . ?
H14B C140 H14C 109.5 . . ?
O48 C165 C166 102.1(6) . . ?
O48 C165 C167 109.2(7) . . ?
O48 C165 C168 110.3(6) . . ?
C167 C165 C166 109.6(7) . . ?
C167 C165 C168 113.7(9) . . ?
C168 C165 C166 111.4(8) . . ?
O11 C24 C23 129.1(6) . . ?
O11 C24 C25 112.9(5) . . ?
C23 C24 C25 118.0(6) . . ?
C160 C159 H159 119.4 . . ?
C158 C159 C160 121.3(6) . . ?
C158 C159 H159 119.4 . . ?
C186 C187 H187 120.1 . . ?
C188 C187 C186 119.7(6) . . ?
C188 C187 H187 120.1 . . ?
C8 C9 C10 119.5(6) . . ?
C8 C9 H9 120.2 . . ?
C10 C9 H9 120.2 . . ?
C187 C188 N5 118.1(6) . . ?
C185 C188 N5 121.3(6) . . ?
C185 C188 C187 120.5(6) . . ?
C135 C138 N8 118.8(6) . . ?
C135 C138 C137 120.6(6) . . ?
C137 C138 N8 120.5(6) . . ?
O47 C139 N8 110.6(5) . . ?
O46 C139 O47 127.6(6) . . ?
O46 C139 N8 121.7(6) . . ?
C163 C162 H162 119.1 . . ?
C163 C162 C161 121.8(6) . . ?
C161 C162 H162 119.1 . . ?
C218 N12 C220 108.3(6) . . ?
C222 N12 C218 111.9(6) . . ?
C222 N12 C220 107.1(8) . . ?
C222 N12 C216 104.4(7) . . ?
C216 N12 C218 114.8(8) . . ?
C216 N12 C220 110.0(7) . . ?
H23A C237 H23B 109.5 . . ?
H23A C237 H23C 109.5 . . ?
H23B C237 H23C 109.5 . . ?
C236 C237 H23A 109.5 . . ?
C236 C237 H23B 109.5 . . ?
C236 C237 H23C 109.5 . . ?
C66 C67 H67 120.0 . . ?
C66 C67 C68 119.9(7) . . ?
C68 C67 H67 120.0 . . ?
C69 C66 N4 118.9(7) . . ?
C67 C66 N4 121.3(6) . . ?
C67 C66 C69 119.7(6) . . ?
C55 C58 H58 119.0 . . ?
C59 C58 C55 122.1(7) . . ?
C59 C58 H58 119.0 . . ?
C96 C97 H97 118.1 . . ?
C98 C97 C96 123.8(6) . . ?
C98 C97 H97 118.1 . . ?
O9 C29 C30 115.5(6) . . ?
O9 C29 C28 125.3(6) . . ?
C28 C29 C30 119.2(6) . . ?
C27 C28 C29 122.7(6) . . ?
C27 C28 H28 118.6 . . ?
C29 C28 H28 118.6 . . ?
C198 C197 C194 119.8(6) . . ?
C198 C197 H197 120.1 . . ?
C194 C197 H197 120.1 . . ?
C184 C185 H185 120.0 . . ?
C188 C185 C184 120.0(6) . . ?
C188 C185 H185 120.0 . . ?
C32 C35 N3 121.8(6) . . ?
C32 C35 C34 120.2(6) . . ?
C34 C35 N3 118.0(6) . . ?
O4 C98 C97 130.2(6) . . ?
O4 C98 C99 111.7(6) . . ?
C97 C98 C99 117.9(6) . . ?
C60 C59 H59 120.3 . . ?
C58 C59 C60 119.4(6) . . ?
C58 C59 H59 120.3 . . ?
O22 C61 N4 109.5(6) . . ?
O23 C61 O22 126.6(6) . . ?
O23 C61 N4 123.9(6) . . ?
N12 C218 H21P 108.3 . . ?
N12 C218 H21Q 108.3 . . ?
N12 C218 C219 116.1(7) . . ?
H21P C218 H21Q 107.4 . . ?
C219 C218 H21P 108.3 . . ?
C219 C218 H21Q 108.3 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C62 C64 H64A 109.5 . . ?
C62 C64 H64B 109.5 . . ?
C62 C64 H64C 109.5 . . ?
F23 C25 C24 109.8(6) . . ?
F24 C25 F23 108.5(6) . . ?
F24 C25 F22 105.5(7) . . ?
F24 C25 C24 116.0(6) . . ?
F22 C25 F23 106.0(6) . . ?
F22 C25 C24 110.4(6) . . ?
C72 C07T H07T 118.3 . . ?
C73 C07T C72 123.4(7) . . ?
C73 C07T H07T 118.3 . . ?
H23D C233 H23E 109.5 . . ?
H23D C233 H23F 109.5 . . ?
H23E C233 H23F 109.5 . . ?
C1A C233 H23D 109.5 . . ?
C1A C233 H23E 109.5 . . ?
C1A C233 H23F 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H23G C239 H23H 109.5 . . ?
H23G C239 H23I 109.5 . . ?
H23H C239 H23I 109.5 . . ?
C238 C239 H23G 109.5 . . ?
C238 C239 H23H 109.5 . . ?
C238 C239 H23I 109.5 . . ?
C95 C94 H94 119.6 . . ?
C95 C94 C91 120.7(6) . . ?
C91 C94 H94 119.6 . . ?
C141 C143 H14D 109.5 . . ?
C141 C143 H14E 109.5 . . ?
C141 C143 H14F 109.5 . . ?
H14D C143 H14E 109.5 . . ?
H14D C143 H14F 109.5 . . ?
H14E C143 H14F 109.5 . . ?
C162 C161 H161 120.4 . . ?
C162 C161 C158 119.2(7) . . ?
C158 C161 H161 120.4 . . ?
C159 C158 C157 124.3(6) . . ?
C159 C158 C161 118.9(6) . . ?
C161 C158 C157 116.9(6) . . ?
C71 C68 H68 119.6 . . ?
C67 C68 C71 120.9(7) . . ?
C67 C68 H68 119.6 . . ?
O51 C189 O50 127.5(6) . . ?
O51 C189 N5 122.5(6) . . ?
O50 C189 N5 109.9(5) . . ?
O31 C180 C181 129.5(7) . . ?
O31 C180 C179 111.0(8) . . ?
O31 C180 C1Q 113.9(6) . . ?
C181 C180 C179 117.1(8) . . ?
C181 C180 C1Q 116.2(6) . . ?
O19 C12 C15 101.2(5) . . ?
O19 C12 C13 110.4(6) . . ?
O19 C12 C14 109.9(5) . . ?
C15 C12 C13 110.8(6) . . ?
C15 C12 C14 112.2(7) . . ?
C13 C12 C14 111.9(6) . . ?
O19 C11 N2 110.5(5) . . ?
O18 C11 O19 126.6(6) . . ?
O18 C11 N2 122.9(6) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C100 C101 H10C 109.5 . . ?
C100 C101 H10D 109.5 . . ?
C100 C101 H10E 109.5 . . ?
H10C C101 H10D 109.5 . . ?
H10C C101 H10E 109.5 . . ?
H10D C101 H10E 109.5 . . ?
F48 C154 C155 111.9(6) . . ?
F46 C154 F48 108.1(6) . . ?
F46 C154 F47 107.3(6) . . ?
F46 C154 C155 112.5(6) . . ?
F47 C154 F48 106.5(6) . . ?
F47 C154 C155 110.3(6) . . ?
C16 C17 C18 121.0(6) . . ?
C16 C17 H17A 119.5 . . ?
C18 C17 H17A 119.5 . . ?
C141 C142 H14G 109.5 . . ?
C141 C142 H14H 109.5 . . ?
C141 C142 H14I 109.5 . . ?
H14G C142 H14H 109.5 . . ?
H14G C142 H14I 109.5 . . ?
H14H C142 H14I 109.5 . . ?
C12 C14 H14J 109.5 . . ?
C12 C14 H14K 109.5 . . ?
C12 C14 H14L 109.5 . . ?
H14J C14 H14K 109.5 . . ?
H14J C14 H14L 109.5 . . ?
H14K C14 H14L 109.5 . . ?
O16 C73 C07T 129.3(7) . . ?
O16 C73 C74 113.4(6) . . ?
C07T C73 C74 117.3(7) . . ?
F12 C50 C49 114.9(6) . . ?
F10 C50 F12 105.4(6) . . ?
F10 C50 C49 112.4(7) . . ?
F11 C50 F12 105.5(7) . . ?
F11 C50 F10 105.8(6) . . ?
F11 C50 C49 112.1(6) . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C62 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
C62 C63 H63C 109.5 . . ?
N11 C210 H21A 108.6 . . ?
N11 C210 H21B 108.6 . . ?
H21A C210 H21B 107.5 . . ?
C211 C210 N11 114.8(7) . . ?
C211 C210 H21A 108.6 . . ?
C211 C210 H21B 108.6 . . ?
F9 C51 C52 117.4(6) . . ?
F9 C51 F8B 95.7(7) . . ?
F9 C51 F8A 118.2(7) . . ?
F9 C51 F7A 102.6(6) . . ?
F7B C51 F9 107.9(7) . . ?
F7B C51 C52 120.0(8) . . ?
F7B C51 F8B 105.6(8) . . ?
F8B C51 C52 106.6(7) . . ?
F8A C51 C52 111.7(6) . . ?
F8A C51 F7A 100.3(7) . . ?
F7A C51 C52 103.2(6) . . ?
C90 C91 C94 119.7(7) . . ?
C90 C91 H91 120.2 . . ?
C94 C91 H91 120.2 . . ?
C132 C131 H131 118.5 . . ?
C132 C131 C130 123.0(7) . . ?
C130 C131 H131 118.5 . . ?
C210 C211 H21C 109.5 . . ?
C210 C211 H21D 109.5 . . ?
C210 C211 H21E 109.5 . . ?
H21C C211 H21D 109.5 . . ?
H21C C211 H21E 109.5 . . ?
H21D C211 H21E 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C62 C65 H65A 109.5 . . ?
C62 C65 H65B 109.5 . . ?
C62 C65 H65C 109.5 . . ?
O24 C37 C38 102.9(6) . . ?
O24 C37 C39 107.2(7) . . ?
C40 C37 O24 110.9(6) . . ?
C40 C37 C38 109.9(8) . . ?
C40 C37 C39 114.0(8) . . ?
C39 C37 C38 111.3(8) . . ?
H10F C103 H10G 109.5 . . ?
H10F C103 H10H 109.5 . . ?
H10G C103 H10H 109.5 . . ?
C102 C103 H10F 109.5 . . ?
C102 C103 H10G 109.5 . . ?
C102 C103 H10H 109.5 . . ?
N11 C214 H21F 108.5 . . ?
N11 C214 H21G 108.5 . . ?
N11 C214 C215 115.1(7) . . ?
H21F C214 H21G 107.5 . . ?
C215 C214 H21F 108.5 . . ?
C215 C214 H21G 108.5 . . ?
O22 C62 C64 111.0(6) . . ?
O22 C62 C63 101.5(5) . . ?
O22 C62 C65 107.6(5) . . ?
C64 C62 C63 111.4(6) . . ?
C64 C62 C65 113.8(6) . . ?
C63 C62 C65 110.7(7) . . ?
C87 C86 H86A 109.5 . . ?
C87 C86 H86B 109.5 . . ?
C87 C86 H86C 109.5 . . ?
H86A C86 H86B 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C117 C115 H11A 109.5 . . ?
C117 C115 H11B 109.5 . . ?
C117 C115 H11C 109.5 . . ?
H11A C115 H11B 109.5 . . ?
H11A C115 H11C 109.5 . . ?
H11B C115 H11C 109.5 . . ?
N11 C213 H21H 108.3 . . ?
N11 C213 H21I 108.3 . . ?
N11 C213 C212 115.9(9) . . ?
H21H C213 H21I 107.4 . . ?
C212 C213 H21H 108.3 . . ?
C212 C213 H21I 108.3 . . ?
F33B C179 F31B 102.2(14) . . ?
F33B C179 F32B 102.7(14) . . ?
F33B C179 C180 124.9(14) . . ?
F31B C179 F32B 101.9(14) . . ?
F31B C179 C180 105.4(12) . . ?
F32B C179 C180 116.6(13) . . ?
O17 C102 C103 110.9(7) . . ?
O17 C102 H10I 109.5 . . ?
O17 C102 H10J 109.5 . . ?
C103 C102 H10I 109.5 . . ?
C103 C102 H10J 109.5 . . ?
H10I C102 H10J 108.0 . . ?
O36B C130 C131 120.0(10) . . ?
O36B C130 C129 113.9(8) . . ?
C131 C130 C129 117.3(7) . . ?
O36A C130 C131 128.8(8) . . ?
O36A C130 C129 112.5(7) . . ?
C87 C89 H89A 109.5 . . ?
C87 C89 H89B 109.5 . . ?
C87 C89 H89C 109.5 . . ?
H89A C89 H89B 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
F16 C74 F18 106.5(8) . . ?
F16 C74 F17 107.9(7) . . ?
F16 C74 C73 114.7(7) . . ?
F18 C74 F17 105.9(7) . . ?
F18 C74 C73 111.9(7) . . ?
F17 C74 C73 109.6(7) . . ?
C117 C118 H11D 109.5 . . ?
C117 C118 H11E 109.5 . . ?
C117 C118 H11F 109.5 . . ?
H11D C118 H11E 109.5 . . ?
H11D C118 H11F 109.5 . . ?
H11E C118 H11F 109.5 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C87 C88 H88A 109.5 . . ?
C87 C88 H88B 109.5 . . ?
C87 C88 H88C 109.5 . . ?
H88A C88 H88B 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C206 C207 H20H 109.5 . . ?
C206 C207 H20I 109.5 . . ?
C206 C207 H20J 109.5 . . ?
H20H C207 H20I 109.5 . . ?
H20H C207 H20J 109.5 . . ?
H20I C207 H20J 109.5 . . ?
C117 C116 H11G 109.5 . . ?
C117 C116 H11H 109.5 . . ?
C117 C116 H11I 109.5 . . ?
H11G C116 H11H 109.5 . . ?
H11G C116 H11I 109.5 . . ?
H11H C116 H11I 109.5 . . ?
C165 C166 H16A 109.5 . . ?
C165 C166 H16B 109.5 . . ?
C165 C166 H16C 109.5 . . ?
H16A C166 H16B 109.5 . . ?
H16A C166 H16C 109.5 . . ?
H16B C166 H16C 109.5 . . ?
F19 C26 C27 113.5(6) . . ?
F21 C26 F19 105.7(7) . . ?
F21 C26 C27 111.0(8) . . ?
F20 C26 F19 108.7(8) . . ?
F20 C26 F21 105.9(7) . . ?
F20 C26 C27 111.5(7) . . ?
F5 C99 C98 113.1(6) . . ?
F4 C99 F5 105.8(8) . . ?
F4 C99 C98 111.4(8) . . ?
F6 C99 F5 106.2(8) . . ?
F6 C99 F4 107.3(8) . . ?
F6 C99 C98 112.6(8) . . ?
N9 C230 H23X 108.9 . . ?
N9 C230 H23Y 108.9 . . ?
C231 C230 N9 113.5(14) . . ?
C231 C230 H23X 108.9 . . ?
C231 C230 H23Y 108.9 . . ?
H23X C230 H23Y 107.7 . . ?
N12 C222 H22P 108.4 . . ?
N12 C222 H22Q 108.4 . . ?
N12 C222 C223 115.3(8) . . ?
H22P C222 H22Q 107.5 . . ?
C223 C222 H22P 108.4 . . ?
C223 C222 H22Q 108.4 . . ?
C214 C215 H21J 109.5 . . ?
C214 C215 H21K 109.5 . . ?
C214 C215 H21L 109.5 . . ?
H21J C215 H21K 109.5 . . ?
H21J C215 H21L 109.5 . . ?
H21K C215 H21L 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O50 C190 C191 102.9(10) . . ?
C192 C190 O50 115.9(11) . . ?
C192 C190 C191 115.0(11) . . ?
C192 C190 C193 112.4(13) . . ?
C193 C190 O50 98.2(9) . . ?
C193 C190 C191 110.9(13) . . ?
F39 C129 F38B 106.8(7) . . ?
F39 C129 C130 115.3(8) . . ?
F39 C129 F37A 97.3(9) . . ?
F37B C129 F39 113.8(8) . . ?
F37B C129 F38B 97.6(8) . . ?
F37B C129 C130 118.4(8) . . ?
F38B C129 C130 101.5(8) . . ?
F38A C129 F39 106.2(10) . . ?
F38A C129 C130 128.8(12) . . ?
F38A C129 F37A 91.6(10) . . ?
F37A C129 C130 110.6(9) . . ?
N12 C220 H22R 108.1 . . ?
N12 C220 H22S 108.1 . . ?
H22R C220 H22S 107.3 . . ?
C221 C220 N12 117.0(9) . . ?
C221 C220 H22R 108.1 . . ?
C221 C220 H22S 108.1 . . ?
N9 C224 C225 122.4(17) . . ?
N9 C224 H22G 106.7 . . ?
N9 C224 H22H 106.7 . . ?
C225 C224 H22G 106.7 . . ?
C225 C224 H22H 106.7 . . ?
H22G C224 H22H 106.6 . . ?
N10 C238 C239 109.1(13) . . ?
N10 C238 H23J 109.9 . . ?
N10 C238 H23K 109.9 . . ?
C239 C238 H23J 109.9 . . ?
C239 C238 H23K 109.9 . . ?
H23J C238 H23K 108.3 . . ?
C220 C221 H22T 109.5 . . ?
C220 C221 H22U 109.5 . . ?
C220 C221 H22V 109.5 . . ?
H22T C221 H22U 109.5 . . ?
H22T C221 H22V 109.5 . . ?
H22U C221 H22V 109.5 . . ?
N10 C234 H23L 109.5 . . ?
N10 C234 H23M 109.5 . . ?
N10 C234 C235 110.6(12) . . ?
H23L C234 H23M 108.1 . . ?
C235 C234 H23L 109.5 . . ?
C235 C234 H23M 109.5 . . ?
N10 C236 C237 111.9(14) . . ?
N10 C236 H23N 109.2 . . ?
N10 C236 H23O 109.2 . . ?
C237 C236 H23N 109.2 . . ?
C237 C236 H23O 109.2 . . ?
H23N C236 H23O 107.9 . . ?
C165 C167 H16D 109.5 . . ?
C165 C167 H16E 109.5 . . ?
C165 C167 H16F 109.5 . . ?
H16D C167 H16E 109.5 . . ?
H16D C167 H16F 109.5 . . ?
H16E C167 H16F 109.5 . . ?
N11 C208 H20A 109.2 . . ?
N11 C208 H20B 109.2 . . ?
N11 C208 C209 112.1(9) . . ?
H20A C208 H20B 107.9 . . ?
C209 C208 H20A 109.2 . . ?
C209 C208 H20B 109.2 . . ?
C218 C219 H21R 109.5 . . ?
C218 C219 H21S 109.5 . . ?
C218 C219 H21T 109.5 . . ?
H21R C219 H21S 109.5 . . ?
H21R C219 H21T 109.5 . . ?
H21S C219 H21T 109.5 . . ?
C213 C212 H21M 109.5 . . ?
C213 C212 H21N 109.5 . . ?
C213 C212 H21O 109.5 . . ?
H21M C212 H21N 109.5 . . ?
H21M C212 H21O 109.5 . . ?
H21N C212 H21O 109.5 . . ?
C234 C235 H23P 109.5 . . ?
C234 C235 H23Q 109.5 . . ?
C234 C235 H23R 109.5 . . ?
H23P C235 H23Q 109.5 . . ?
H23P C235 H23R 109.5 . . ?
H23Q C235 H23R 109.5 . . ?
C165 C168 H16G 109.5 . . ?
C165 C168 H16H 109.5 . . ?
C165 C168 H16I 109.5 . . ?
H16G C168 H16H 109.5 . . ?
H16G C168 H16I 109.5 . . ?
H16H C168 H16I 109.5 . . ?
C190 C192 H19A 109.5 . . ?
C190 C192 H19B 109.5 . . ?
C190 C192 H19C 109.5 . . ?
H19A C192 H19B 109.5 . . ?
H19A C192 H19C 109.5 . . ?
H19B C192 H19C 109.5 . . ?
C190 C191 H19D 109.5 . . ?
C190 C191 H19E 109.5 . . ?
C190 C191 H19F 109.5 . . ?
H19D C191 H19E 109.5 . . ?
H19D C191 H19F 109.5 . . ?
H19E C191 H19F 109.5 . . ?
N12 C216 H21U 109.5 . . ?
N12 C216 H21V 109.5 . . ?
N12 C216 C217 110.7(9) . . ?
H21U C216 H21V 108.1 . . ?
C217 C216 H21U 109.5 . . ?
C217 C216 H21V 109.5 . . ?
C222 C223 H22W 109.5 . . ?
C222 C223 H22X 109.5 . . ?
C222 C223 H22Y 109.5 . . ?
H22W C223 H22X 109.5 . . ?
H22W C223 H22Y 109.5 . . ?
H22X C223 H22Y 109.5 . . ?
N9 C226 H22I 107.8 . . ?
N9 C226 H22J 107.8 . . ?
C227 C226 N9 117.9(15) . . ?
C227 C226 H22I 107.8 . . ?
C227 C226 H22J 107.8 . . ?
H22I C226 H22J 107.2 . . ?
C190 C193 H19G 109.5 . . ?
C190 C193 H19H 109.5 . . ?
C190 C193 H19I 109.5 . . ?
H19G C193 H19H 109.5 . . ?
H19G C193 H19I 109.5 . . ?
H19H C193 H19I 109.5 . . ?
N10 C1A C233 112.3(13) . . ?
N10 C1A H1AA 109.1 . . ?
N10 C1A H1AB 109.1 . . ?
C233 C1A H1AA 109.1 . . ?
C233 C1A H1AB 109.1 . . ?
H1AA C1A H1AB 107.9 . . ?
N9 C228 H22K 108.6 . . ?
N9 C228 H22L 108.6 . . ?
H22K C228 H22L 107.6 . . ?
C229 C228 N9 114.7(12) . . ?
C229 C228 H22K 108.6 . . ?
C229 C228 H22L 108.6 . . ?
C228 C229 H22M 109.5 . . ?
C228 C229 H22N 109.5 . . ?
C228 C229 H22O 109.5 . . ?
H22M C229 H22N 109.5 . . ?
H22M C229 H22O 109.5 . . ?
H22N C229 H22O 109.5 . . ?
C216 C217 H21W 109.5 . . ?
C216 C217 H21X 109.5 . . ?
C216 C217 H21Y 109.5 . . ?
H21W C217 H21X 109.5 . . ?
H21W C217 H21Y 109.5 . . ?
H21X C217 H21Y 109.5 . . ?
C204 O53 H53A 109.5 . . ?
O53 C204 H204 123.0 . . ?
C205 C204 O53 114.0(13) . . ?
C205 C204 H204 123.0 . . ?
C204 C205 H20K 109.5 . . ?
C204 C205 H20L 109.5 . . ?
C204 C205 H20M 109.5 . . ?
H20K C205 H20L 109.5 . . ?
H20K C205 H20M 109.5 . . ?
H20L C205 H20M 109.5 . . ?
N9 C1B H1BA 109.7 . . ?
N9 C1B H1BB 109.7 . . ?
H1BA C1B H1BB 108.2 . . ?
C1H C1B N9 109.9(8) . . ?
C1H C1B H1BA 109.7 . . ?
C1H C1B H1BB 109.7 . . ?
N9 C1C H1CA 109.0 . . ?
N9 C1C H1CB 109.0 . . ?
H1CA C1C H1CB 107.8 . . ?
C1D C1C N9 112.8(10) . . ?
C1D C1C H1CA 109.0 . . ?
C1D C1C H1CB 109.0 . . ?
C1C C1D H1DA 109.5 . . ?
C1C C1D H1DB 109.5 . . ?
C1C C1D H1DC 109.5 . . ?
H1DA C1D H1DB 109.5 . . ?
H1DA C1D H1DC 109.5 . . ?
H1DB C1D H1DC 109.5 . . ?
N9 C1E H1EA 107.8 . . ?
N9 C1E H1EB 107.8 . . ?
H1EA C1E H1EB 107.2 . . ?
C1I C1E N9 117.9(10) . . ?
C1I C1E H1EA 107.8 . . ?
C1I C1E H1EB 107.8 . . ?
N9 C1F H1FA 107.6 . . ?
N9 C1F H1FB 107.6 . . ?
N9 C1F C1G 119.0(11) . . ?
H1FA C1F H1FB 107.0 . . ?
C1G C1F H1FA 107.6 . . ?
C1G C1F H1FB 107.6 . . ?
C1F C1G H1GA 109.5 . . ?
C1F C1G H1GB 109.5 . . ?
C1F C1G H1GC 109.5 . . ?
H1GA C1G H1GB 109.5 . . ?
H1GA C1G H1GC 109.5 . . ?
H1GB C1G H1GC 109.5 . . ?
C1B C1H H1HA 109.5 . . ?
C1B C1H H1HB 109.5 . . ?
C1B C1H H1HC 109.5 . . ?
H1HA C1H H1HB 109.5 . . ?
H1HA C1H H1HC 109.5 . . ?
H1HB C1H H1HC 109.5 . . ?
C1E C1I H1IA 109.5 . . ?
C1E C1I H1IB 109.5 . . ?
C1E C1I H1IC 109.5 . . ?
H1IA C1I H1IB 109.5 . . ?
H1IA C1I H1IC 109.5 . . ?
H1IB C1I H1IC 109.5 . . ?
N10 C1J H1JA 109.1 . . ?
N10 C1J H1JB 109.1 . . ?
N10 C1J C1M 112.4(8) . . ?
H1JA C1J H1JB 107.9 . . ?
C1M C1J H1JA 109.1 . . ?
C1M C1J H1JB 109.1 . . ?
N10 C1K H1KA 108.8 . . ?
N10 C1K H1KB 108.8 . . ?
H1KA C1K H1KB 107.7 . . ?
C1N C1K N10 113.9(8) . . ?
C1N C1K H1KA 108.8 . . ?
C1N C1K H1KB 108.8 . . ?
N10 C1L H1LA 109.3 . . ?
N10 C1L H1LB 109.3 . . ?
N10 C1L C1O 111.7(8) . . ?
H1LA C1L H1LB 107.9 . . ?
C1O C1L H1LA 109.3 . . ?
C1O C1L H1LB 109.3 . . ?
N10 C232 H23S 109.2 . . ?
N10 C232 H23T 109.2 . . ?
H23S C232 H23T 107.9 . . ?
C1P C232 N10 112.0(8) . . ?
C1P C232 H23S 109.2 . . ?
C1P C232 H23T 109.2 . . ?
C1J C1M H1MA 109.5 . . ?
C1J C1M H1MB 109.5 . . ?
C1J C1M H1MC 109.5 . . ?
H1MA C1M H1MB 109.5 . . ?
H1MA C1M H1MC 109.5 . . ?
H1MB C1M H1MC 109.5 . . ?
C1K C1N H1NA 109.5 . . ?
C1K C1N H1NB 109.5 . . ?
C1K C1N H1NC 109.5 . . ?
H1NA C1N H1NB 109.5 . . ?
H1NA C1N H1NC 109.5 . . ?
H1NB C1N H1NC 109.5 . . ?
C1L C1O H1OA 109.5 . . ?
C1L C1O H1OB 109.5 . . ?
C1L C1O H1OC 109.5 . . ?
H1OA C1O H1OB 109.5 . . ?
H1OA C1O H1OC 109.5 . . ?
H1OB C1O H1OC 109.5 . . ?
C232 C1P H1PA 109.5 . . ?
C232 C1P H1PB 109.5 . . ?
C232 C1P H1PC 109.5 . . ?
H1PA C1P H1PB 109.5 . . ?
H1PA C1P H1PC 109.5 . . ?
H1PB C1P H1PC 109.5 . . ?
O50 C240 C241 98.3(14) . . ?
O50 C240 C243 116.6(17) . . ?
C241 C240 C243 113.0(17) . . ?
C242 C240 O50 107.4(15) . . ?
C242 C240 C241 112.1(19) . . ?
C242 C240 C243 109.1(19) . . ?
C240 C241 H24A 109.5 . . ?
C240 C241 H24B 109.5 . . ?
C240 C241 H24C 109.5 . . ?
H24A C241 H24B 109.5 . . ?
H24A C241 H24C 109.5 . . ?
H24B C241 H24C 109.5 . . ?
C240 C242 H24D 109.5 . . ?
C240 C242 H24E 109.5 . . ?
C240 C242 H24F 109.5 . . ?
H24D C242 H24E 109.5 . . ?
H24D C242 H24F 109.5 . . ?
H24E C242 H24F 109.5 . . ?
C240 C243 H24G 109.5 . . ?
C240 C243 H24H 109.5 . . ?
C240 C243 H24I 109.5 . . ?
H24G C243 H24H 109.5 . . ?
H24G C243 H24I 109.5 . . ?
H24H C243 H24I 109.5 . . ?
C130 O36A Eu4 129.9(5) . . ?
C208 C209 H20C 109.5 . . ?
C208 C209 H20D 109.5 . . ?
C208 C209 H20E 109.5 . . ?
H20C C209 H20D 109.5 . . ?
H20C C209 H20E 109.5 . . ?
H20D C209 H20E 109.5 . . ?
F33A C1Q C180 104.4(8) . . ?
F33A C1Q F32A 107.2(9) . . ?
F33A C1Q F31A 109.9(8) . . ?
F32A C1Q C180 113.4(7) . . ?
F31A C1Q C180 112.8(8) . . ?
F31A C1Q F32A 109.0(9) . . ?

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
Eu1 O2 C4 C5 177.6(4) . . . . ?
Eu1 O2 C4 C3 -3.8(10) . . . . ?
Eu1 O7 C47 C46 162.7(4) . . . . ?
Eu1 O7 C47 C48 -16.1(9) . . . . ?
Eu1 O3 C96 C95 -156.8(4) . . . . ?
Eu1 O3 C96 C97 22.0(10) . . . . ?
Eu1 O1 C2 C1 -169.6(4) . . . . ?
Eu1 O1 C2 C3 11.5(10) . . . . ?
Eu1 O5 C52 C53 2.6(11) . . . . ?
Eu1 O5 C52 C51 -179.7(4) . . . . ?
Eu1 O8 C100 C101 -97.2(7) . . . . ?
Eu1 O4 C98 C97 -8.4(11) . . . . ?
Eu1 O4 C98 C99 168.1(6) . . . . ?
Eu1 O01A C54 C53 3.1(9) . . . . ?
Eu1 O01A C54 C55 -176.8(4) . . . . ?
Eu1 O6 C49 C48 23.4(10) . . . . ?
Eu1 O6 C49 C50 -156.3(5) . . . . ?
Eu3 O30 C182 C183 176.9(4) . . . . ?
Eu3 O30 C182 C181 -0.6(11) . . . . ?
Eu3 O26 C150 C151 5.2(9) . . . . ?
Eu3 O26 C150 C149 -178.3(4) . . . . ?
Eu3 O29 C105 C106 -10.8(10) . . . . ?
Eu3 O29 C105 C104 171.0(5) . . . . ?
Eu3 O27 C152 C151 -5.0(9) . . . . ?
Eu3 O27 C152 C153 177.6(4) . . . . ?
Eu3 O28 C107 C108 -172.1(4) . . . . ?
Eu3 O28 C107 C106 8.5(9) . . . . ?
Eu3 O33 C177 C178 -175.0(4) . . . . ?
Eu3 O33 C177 C176 2.2(10) . . . . ?
Eu3 O32 C175 C172 177.3(4) . . . . ?
Eu3 O32 C175 C176 -0.6(11) . . . . ?
Eu3 O31 C180 C181 -17.9(16) . . . . ?
Eu3 O31 C180 C179 143.3(9) . . . . ?
Eu3 O31 C180 C1Q 170.2(6) . . . . ?
Eu4 O38 C127 C128 -174.3(4) . . . . ?
Eu4 O38 C127 C126 7.9(11) . . . . ?
Eu4 O35 C132 C133 -173.9(4) . . . . ?
Eu4 O35 C132 C131 9.2(12) . . . . ?
Eu4 O39 C200 C201 12.4(9) . . . . ?
Eu4 O39 C200 C199 -169.0(4) . . . . ?
Eu4 O40 C202 C201 -17.8(10) . . . . ?
Eu4 O40 C202 C203 165.9(4) . . . . ?
Eu4 O37 C125 C124 177.9(4) . . . . ?
Eu4 O37 C125 C126 -0.8(10) . . . . ?
Eu4 O42 C155 C156 8.7(11) . . . . ?
Eu4 O42 C155 C154 -171.1(4) . . . . ?
Eu4 O41 C157 C156 -9.8(13) . . . . ?
Eu4 O41 C157 C158 171.1(5) . . . . ?
Eu4 O36B C130 C131 61.7(15) . . . . ?
Eu4 O36B C130 C129 -151.6(7) . . . . ?
Eu2 O14 C78 C79 163.6(4) . . . . ?
Eu2 O14 C78 C77 -16.9(9) . . . . ?
Eu2 O10 C27 C28 0.8(13) . . . . ?
Eu2 O10 C27 C26 177.7(6) . . . . ?
Eu2 O12 C22 C21 -156.8(4) . . . . ?
Eu2 O12 C22 C23 18.3(10) . . . . ?
Eu2 O15 C72 C71 169.9(4) . . . . ?
Eu2 O15 C72 C07T -7.9(11) . . . . ?
Eu2 O13 C76 C77 23.5(10) . . . . ?
Eu2 O13 C76 C75 -157.0(4) . . . . ?
Eu2 O11 C24 C23 -35.1(10) . . . . ?
Eu2 O11 C24 C25 143.5(5) . . . . ?
Eu2 O16 C73 C07T 17.6(13) . . . . ?
Eu2 O16 C73 C74 -164.0(5) . . . . ?
Eu2 O9 C29 C30 -172.2(4) . . . . ?
Eu2 O9 C29 C28 5.3(11) . . . . ?
Eu2 O17 C102 C103 71.2(10) . . . . ?
F34 C178 C177 O33 -34.0(8) . . . . ?
F34 C178 C177 C176 148.5(6) . . . . ?
O2 C4 C5 C8 27.6(8) . . . . ?
O2 C4 C5 C6 -153.0(6) . . . . ?
O2 C4 C3 C2 -7.8(10) . . . . ?
O30 C182 C183 C186 -17.3(8) . . . . ?
O30 C182 C183 C184 160.5(6) . . . . ?
O30 C182 C181 C180 10.5(12) . . . . ?
O26 C150 C151 C152 3.7(9) . . . . ?
O26 C150 C149 C146 -18.5(8) . . . . ?
O26 C150 C149 C148 159.8(6) . . . . ?
O29 C105 C104 F26 -179.6(8) . . . . ?
O29 C105 C104 F25 56.1(9) . . . . ?
O29 C105 C104 F27 -59.9(9) . . . . ?
O27 C152 C151 C150 -3.6(10) . . . . ?
O27 C152 C153 F29 -177.4(5) . . . . ?
O27 C152 C153 F30 62.2(6) . . . . ?
O27 C152 C153 F28 -56.2(7) . . . . ?
F36 C178 C177 O33 -154.6(5) . . . . ?
F36 C178 C177 C176 27.9(8) . . . . ?
O28 C107 C108 C111 -23.0(7) . . . . ?
O28 C107 C108 C109 155.1(5) . . . . ?
O28 C107 C106 C105 3.7(10) . . . . ?
O38 C127 C128 F44 50.8(8) . . . . ?
O38 C127 C128 F45 -68.1(7) . . . . ?
O38 C127 C128 F43 171.5(7) . . . . ?
O38 C127 C126 C125 -2.5(13) . . . . ?
O7 C47 C46 C45 19.0(8) . . . . ?
O7 C47 C46 C43 -160.0(6) . . . . ?
O7 C47 C48 C49 -0.3(10) . . . . ?
O35 C132 C133 C134 -15.1(9) . . . . ?
O35 C132 C133 C136 165.0(6) . . . . ?
O35 C132 C131 C130 11.4(16) . . . . ?
O33 C177 C176 C175 -5.3(11) . . . . ?
F35 C178 C177 O33 84.7(7) . . . . ?
F35 C178 C177 C176 -92.8(7) . . . . ?
O3 C96 C95 C93 22.7(8) . . . . ?
O3 C96 C95 C94 -156.3(7) . . . . ?
O3 C96 C97 C98 -3.3(11) . . . . ?
O1 C2 C1 F2B -142.3(8) . . . . ?
O1 C2 C1 F1B -24.9(9) . . . . ?
O1 C2 C1 F3B 89.6(8) . . . . ?
O1 C2 C1 F1A 21.8(9) . . . . ?
O1 C2 C1 F3A 138.7(7) . . . . ?
O1 C2 C1 F2A -105.6(8) . . . . ?
O1 C2 C3 C4 3.7(11) . . . . ?
O5 C52 C51 F9 178.2(6) . . . . ?
O5 C52 C51 F7B 43.7(11) . . . . ?
O5 C52 C51 F8B -76.0(9) . . . . ?
O5 C52 C51 F8A -40.7(10) . . . . ?
O5 C52 C51 F7A 66.2(7) . . . . ?
O14 C78 C77 C76 -4.2(10) . . . . ?
O40 C202 C201 C200 -3.4(10) . . . . ?
O40 C202 C203 F40 -61.4(7) . . . . ?
O40 C202 C203 F42 57.5(7) . . . . ?
O40 C202 C203 F41 177.4(6) . . . . ?
O4 C98 C99 F5 167.7(7) . . . . ?
O4 C98 C99 F4 48.7(10) . . . . ?
O4 C98 C99 F6 -71.9(9) . . . . ?
O10 C27 C28 C29 1.2(13) . . . . ?
O10 C27 C26 F19 177.8(8) . . . . ?
O10 C27 C26 F21 -63.3(9) . . . . ?
O10 C27 C26 F20 54.6(9) . . . . ?
O01A C54 C53 C52 -0.6(10) . . . . ?
O01A C54 C55 C56 27.2(8) . . . . ?
O01A C54 C55 C58 -151.7(6) . . . . ?
O37 C125 C126 C127 -1.4(11) . . . . ?
O6 C49 C50 F12 179.4(6) . . . . ?
O6 C49 C50 F10 -60.0(8) . . . . ?
O6 C49 C50 F11 59.0(8) . . . . ?
O42 C155 C154 F48 -169.5(6) . . . . ?
O42 C155 C154 F46 -47.5(8) . . . . ?
O42 C155 C154 F47 72.2(8) . . . . ?
O15 C72 C71 C70 17.6(9) . . . . ?
O15 C72 C71 C68 -160.5(6) . . . . ?
O15 C72 C07T C73 -4.8(12) . . . . ?
O13 C76 C77 C78 0.6(10) . . . . ?
O13 C76 C75 F13 -176.6(6) . . . . ?
O13 C76 C75 F14 61.7(7) . . . . ?
O13 C76 C75 F15 -55.4(8) . . . . ?
O41 C157 C158 C159 156.5(7) . . . . ?
O41 C157 C158 C161 -23.2(10) . . . . ?
O11 C24 C25 F23 62.2(8) . . . . ?
O11 C24 C25 F24 -174.4(7) . . . . ?
O11 C24 C25 F22 -54.5(8) . . . . ?
N7 C119 C120 C121 176.1(5) . . . . ?
N7 C113 C112 C111 -174.2(5) . . . . ?
O16 C73 C74 F16 161.4(7) . . . . ?
O16 C73 C74 F18 40.0(10) . . . . ?
O16 C73 C74 F17 -77.2(9) . . . . ?
O9 C29 C28 C27 -4.2(12) . . . . ?
N1 C84 C83 C82 175.9(6) . . . . ?
N1 C84 C81 C80 -176.2(5) . . . . ?
N1 C90 C91 C94 -174.3(8) . . . . ?
O31 C180 C179 F33B -48.7(17) . . . . ?
O31 C180 C179 F31B 68.6(14) . . . . ?
O31 C180 C179 F32B -179.2(12) . . . . ?
O31 C180 C1Q F33A -71.9(10) . . . . ?
O31 C180 C1Q F32A 171.8(9) . . . . ?
O31 C180 C1Q F31A 47.4(12) . . . . ?
N6 C163 C160 C159 174.2(7) . . . . ?
N6 C163 C162 C161 -173.9(6) . . . . ?
N2 C16 C17 C18 173.5(6) . . . . ?
N2 C10 C9 C8 176.3(6) . . . . ?
C123 C122 C124 C121 1.4(8) . . . . ?
C123 C122 C124 C125 -179.7(5) . . . . ?
C123 C119 C120 C121 0.4(9) . . . . ?
O36B C130 C129 F39 80.1(13) . . . . ?
O36B C130 C129 F37B -140.2(11) . . . . ?
O36B C130 C129 F38B -34.8(12) . . . . ?
C110 C113 C112 C111 1.2(8) . . . . ?
C122 C123 C119 N7 -175.1(5) . . . . ?
C122 C123 C119 C120 0.6(9) . . . . ?
C122 C124 C121 C120 -0.3(9) . . . . ?
C122 C124 C125 O37 -32.3(8) . . . . ?
C122 C124 C125 C126 146.5(6) . . . . ?
C79 C82 C83 C84 0.9(10) . . . . ?
C79 C78 C77 C76 175.3(6) . . . . ?
C124 C125 C126 C127 180.0(6) . . . . ?
C4 C5 C8 C9 178.1(6) . . . . ?
C4 C5 C6 C7 -178.2(6) . . . . ?
C107 C108 C111 C112 178.4(5) . . . . ?
C107 C108 C109 C110 -178.0(5) . . . . ?
C107 C106 C105 O29 -1.7(11) . . . . ?
C107 C106 C105 C104 176.5(6) . . . . ?
C108 C107 C106 C105 -175.7(6) . . . . ?
C82 C79 C78 O14 18.9(8) . . . . ?
C82 C79 C78 C77 -160.6(6) . . . . ?
C82 C79 C80 C81 0.9(9) . . . . ?
N5 C194 C197 C198 -173.4(6) . . . . ?
N5 C188 C185 C184 173.9(7) . . . . ?
C106 C107 C108 C111 156.5(5) . . . . ?
C106 C107 C108 C109 -25.4(8) . . . . ?
C106 C105 C104 F26 1.9(11) . . . . ?
C106 C105 C104 F25 -122.3(7) . . . . ?
C106 C105 C104 F27 121.6(7) . . . . ?
N3 C41 C42 C43 -175.5(6) . . . . ?
C146 C145 C144 N8 -174.4(6) . . . . ?
C146 C145 C144 C147 3.6(10) . . . . ?
C202 C201 C200 O39 6.5(9) . . . . ?
C202 C201 C200 C199 -172.0(5) . . . . ?
C114 O45 C117 C115 -60.8(8) . . . . ?
C114 O45 C117 C118 65.3(8) . . . . ?
C114 O45 C117 C116 -176.6(6) . . . . ?
C114 N7 C119 C123 -138.0(6) . . . . ?
C114 N7 C119 C120 46.3(8) . . . . ?
C114 N7 C113 C110 104.5(7) . . . . ?
C114 N7 C113 C112 -80.1(7) . . . . ?
C119 N7 C114 O45 -170.4(5) . . . . ?
C119 N7 C114 O44 10.8(9) . . . . ?
C119 N7 C113 C110 -97.3(6) . . . . ?
C119 N7 C113 C112 78.1(6) . . . . ?
C119 C123 C122 C124 -1.5(9) . . . . ?
C119 C120 C121 C124 -0.6(9) . . . . ?
C113 N7 C114 O45 -13.3(8) . . . . ?
C113 N7 C114 O44 168.0(6) . . . . ?
C113 N7 C119 C123 63.4(7) . . . . ?
C113 N7 C119 C120 -112.3(6) . . . . ?
C113 C110 C109 C108 0.4(9) . . . . ?
C113 C112 C111 C108 -0.8(8) . . . . ?
C178 C177 C176 C175 171.7(6) . . . . ?
C148 C147 C144 N8 174.6(6) . . . . ?
C148 C147 C144 C145 -3.3(9) . . . . ?
C54 C53 C52 O5 -2.3(11) . . . . ?
C54 C53 C52 C51 -179.9(6) . . . . ?
C54 C55 C58 C59 176.1(6) . . . . ?
C45 C44 C41 N3 174.0(5) . . . . ?
C45 C44 C41 C42 -2.2(9) . . . . ?
C111 C108 C109 C110 0.1(8) . . . . ?
C78 C79 C82 C83 179.4(6) . . . . ?
C78 C79 C80 C81 -179.8(5) . . . . ?
C151 C150 C149 C146 158.1(5) . . . . ?
C151 C150 C149 C148 -23.5(8) . . . . ?
C151 C152 C153 F29 4.8(8) . . . . ?
C151 C152 C153 F30 -115.5(6) . . . . ?
C151 C152 C153 F28 126.1(5) . . . . ?
C182 C183 C186 C187 177.4(6) . . . . ?
C182 C183 C184 C185 -176.9(7) . . . . ?
C182 C181 C180 O31 -1.3(15) . . . . ?
C182 C181 C180 C179 -161.5(10) . . . . ?
C182 C181 C180 C1Q 170.5(8) . . . . ?
C53 C54 C55 C56 -152.7(6) . . . . ?
C53 C54 C55 C58 28.4(9) . . . . ?
C53 C52 C51 F9 -3.8(9) . . . . ?
C53 C52 C51 F7B -138.2(9) . . . . ?
C53 C52 C51 F8B 102.0(9) . . . . ?
C53 C52 C51 F8A 137.3(8) . . . . ?
C53 C52 C51 F7A -115.8(7) . . . . ?
C20 C19 C16 N2 -174.9(6) . . . . ?
C20 C19 C16 C17 0.9(10) . . . . ?
C20 C21 C22 O12 -143.2(6) . . . . ?
C20 C21 C22 C23 41.4(9) . . . . ?
C20 C21 C18 C17 0.0(9) . . . . ?
N4 C60 C59 C58 -175.7(6) . . . . ?
C44 C45 C46 C47 -177.8(5) . . . . ?
C44 C45 C46 C43 1.2(9) . . . . ?
C44 C41 C42 C43 0.5(9) . . . . ?
C201 C202 C203 F40 121.8(6) . . . . ?
C201 C202 C203 F42 -119.3(6) . . . . ?
C201 C202 C203 F41 0.7(9) . . . . ?
C149 C150 C151 C152 -172.8(5) . . . . ?
C149 C146 C145 C144 -1.5(9) . . . . ?
C149 C148 C147 C144 0.9(10) . . . . ?
C47 C48 C49 O6 -4.2(11) . . . . ?
C47 C48 C49 C50 175.4(6) . . . . ?
C183 C182 C181 C180 -167.0(7) . . . . ?
C183 C186 C187 C188 -1.6(9) . . . . ?
C183 C184 C185 C188 0.8(12) . . . . ?
C5 C4 C3 C2 170.7(6) . . . . ?
C5 C8 C9 C10 0.6(11) . . . . ?
C141 O47 C139 O46 5.3(11) . . . . ?
C141 O47 C139 N8 -176.0(6) . . . . ?
C153 C152 C151 C150 173.7(5) . . . . ?
C147 C148 C149 C150 -177.1(6) . . . . ?
C147 C148 C149 C146 1.3(9) . . . . ?
C109 C110 C113 N7 174.3(5) . . . . ?
C109 C110 C113 C112 -1.0(8) . . . . ?
C109 C108 C111 C112 0.2(8) . . . . ?
C70 C71 C68 C67 -2.5(10) . . . . ?
C70 C69 C66 N4 173.1(6) . . . . ?
C70 C69 C66 C67 -3.1(10) . . . . ?
C171 C172 C174 C173 0.4(11) . . . . ?
C171 C172 C175 O32 -22.9(9) . . . . ?
C171 C172 C175 C176 155.1(6) . . . . ?
C171 C170 C169 N6 -178.2(6) . . . . ?
C171 C170 C169 C173 1.2(11) . . . . ?
C41 N3 C36 O24 -3.0(10) . . . . ?
C41 N3 C36 O25 177.4(7) . . . . ?
C41 N3 C35 C32 98.4(7) . . . . ?
C41 N3 C35 C34 -79.0(7) . . . . ?
C46 C45 C44 C41 1.4(9) . . . . ?
C46 C47 C48 C49 -179.1(6) . . . . ?
C46 C43 C42 C41 2.2(10) . . . . ?
C177 C176 C175 O32 4.5(11) . . . . ?
C177 C176 C175 C172 -173.4(6) . . . . ?
C174 C172 C171 C170 0.5(10) . . . . ?
C174 C172 C175 O32 157.3(7) . . . . ?
C174 C172 C175 C176 -24.6(10) . . . . ?
C174 C173 C169 N6 179.1(7) . . . . ?
C174 C173 C169 C170 -0.4(11) . . . . ?
C203 C202 C201 C200 172.8(6) . . . . ?
C84 N1 C90 C92 -63.9(8) . . . . ?
C84 N1 C90 C91 112.2(8) . . . . ?
C84 N1 C85 O21 -10.9(10) . . . . ?
C84 N1 C85 O20 169.4(7) . . . . ?
C84 C81 C80 C79 -0.1(9) . . . . ?
C96 C95 C93 C92 -177.7(6) . . . . ?
C96 C95 C94 C91 175.6(8) . . . . ?
C96 C97 C98 O4 -2.1(12) . . . . ?
C96 C97 C98 C99 -178.4(7) . . . . ?
C8 C5 C6 C7 1.2(9) . . . . ?
C164 O48 C165 C166 177.2(6) . . . . ?
C164 O48 C165 C167 61.3(8) . . . . ?
C164 O48 C165 C168 -64.3(9) . . . . ?
C164 N6 C163 C160 45.7(10) . . . . ?
C164 N6 C163 C162 -137.8(7) . . . . ?
C164 N6 C169 C173 71.1(9) . . . . ?
C164 N6 C169 C170 -109.5(7) . . . . ?
C196 C199 C200 O39 164.9(6) . . . . ?
C196 C199 C200 C201 -16.5(8) . . . . ?
C196 C199 C198 C197 0.5(9) . . . . ?
C196 C195 C194 N5 175.3(5) . . . . ?
C196 C195 C194 C197 -0.5(9) . . . . ?
C121 C124 C125 O37 146.5(6) . . . . ?
C121 C124 C125 C126 -34.7(9) . . . . ?
C56 C55 C58 C59 -2.8(10) . . . . ?
C56 C57 C60 N4 175.6(6) . . . . ?
C56 C57 C60 C59 0.0(10) . . . . ?
C19 C20 C21 C22 178.6(6) . . . . ?
C19 C20 C21 C18 -1.5(9) . . . . ?
C19 C16 C17 C18 -2.5(10) . . . . ?
C125 C124 C121 C120 -179.1(6) . . . . ?
C132 C133 C134 C135 179.9(6) . . . . ?
C132 C133 C136 C137 -179.4(6) . . . . ?
C132 C131 C130 O36B -49.2(17) . . . . ?
C132 C131 C130 C129 165.2(9) . . . . ?
C132 C131 C130 O36A 0(2) . . . . ?
C21 C20 C19 C16 1.1(10) . . . . ?
C21 C18 C17 C16 2.0(10) . . . . ?
C83 C84 C81 C80 -0.2(9) . . . . ?
C92 C90 C91 C94 1.7(13) . . . . ?
C77 C76 C75 F13 2.9(9) . . . . ?
C77 C76 C75 F14 -118.7(7) . . . . ?
C77 C76 C75 F15 124.2(6) . . . . ?
C81 C84 C83 C82 -0.2(10) . . . . ?
C95 C96 C97 C98 175.4(6) . . . . ?
C95 C94 C91 C90 1.8(14) . . . . ?
C55 C54 C53 C52 179.3(6) . . . . ?
C55 C56 C57 C60 -1.0(9) . . . . ?
C55 C58 C59 C60 1.8(11) . . . . ?
C128 C127 C126 C125 179.7(7) . . . . ?
C186 C183 C184 C185 0.9(11) . . . . ?
C186 C187 C188 N5 -173.6(6) . . . . ?
C186 C187 C188 C185 3.3(10) . . . . ?
C16 N2 C10 C7 108.8(7) . . . . ?
C16 N2 C10 C9 -67.0(8) . . . . ?
C16 N2 C11 O19 -4.1(9) . . . . ?
C16 N2 C11 O18 176.3(7) . . . . ?
C163 N6 C164 O48 17.8(9) . . . . ?
C163 N6 C164 O49 -164.0(7) . . . . ?
C163 N6 C169 C173 -116.7(8) . . . . ?
C163 N6 C169 C170 62.7(9) . . . . ?
C163 C160 C159 C158 -0.3(12) . . . . ?
C163 C162 C161 C158 -0.4(11) . . . . ?
C42 C43 C46 C45 -3.0(9) . . . . ?
C42 C43 C46 C47 176.0(6) . . . . ?
C133 C132 C131 C130 -165.4(10) . . . . ?
C133 C134 C135 C138 -0.1(9) . . . . ?
C133 C136 C137 C138 -1.0(10) . . . . ?
C199 C196 C195 C194 -1.7(9) . . . . ?
C199 C198 C197 C194 -2.6(10) . . . . ?
C7 C10 C9 C8 0.5(11) . . . . ?
C145 C146 C149 C150 177.5(5) . . . . ?
C145 C146 C149 C148 -1.0(9) . . . . ?
C134 C133 C136 C137 0.8(9) . . . . ?
C134 C135 C138 N8 -176.9(5) . . . . ?
C134 C135 C138 C137 -0.1(9) . . . . ?
C48 C47 C46 C45 -162.1(6) . . . . ?
C48 C47 C46 C43 18.9(9) . . . . ?
C48 C49 C50 F12 -0.3(10) . . . . ?
C48 C49 C50 F10 120.2(7) . . . . ?
C48 C49 C50 F11 -120.7(7) . . . . ?
C169 N6 C164 O48 -170.7(6) . . . . ?
C169 N6 C164 O49 7.5(10) . . . . ?
C169 N6 C163 C160 -125.9(7) . . . . ?
C169 N6 C163 C162 50.6(9) . . . . ?
C169 C173 C174 C172 -0.5(11) . . . . ?
C169 C170 C171 C172 -1.3(10) . . . . ?
C156 C155 C154 F48 10.7(9) . . . . ?
C156 C155 C154 F46 132.7(7) . . . . ?
C156 C155 C154 F47 -107.6(7) . . . . ?
C156 C157 C158 C159 -22.6(11) . . . . ?
C156 C157 C158 C161 157.6(7) . . . . ?
C75 C76 C77 C78 -178.9(6) . . . . ?
C136 C133 C134 C135 -0.3(9) . . . . ?
C136 C137 C138 N8 177.3(6) . . . . ?
C136 C137 C138 C135 0.6(10) . . . . ?
C93 C92 C90 N1 172.5(6) . . . . ?
C93 C92 C90 C91 -3.6(10) . . . . ?
C93 C95 C94 C91 -3.4(12) . . . . ?
C144 N8 C138 C135 68.3(8) . . . . ?
C144 N8 C138 C137 -108.4(7) . . . . ?
C144 N8 C139 O47 4.0(10) . . . . ?
C144 N8 C139 O46 -177.3(7) . . . . ?
C6 C5 C8 C9 -1.4(10) . . . . ?
C6 C7 C10 N2 -176.3(6) . . . . ?
C6 C7 C10 C9 -0.6(10) . . . . ?
C175 C172 C171 C170 -179.3(6) . . . . ?
C175 C172 C174 C173 -179.9(7) . . . . ?
C126 C127 C128 F44 -131.1(7) . . . . ?
C126 C127 C128 F45 110.0(7) . . . . ?
C126 C127 C128 F43 -10.3(10) . . . . ?
C80 C79 C82 C83 -1.2(9) . . . . ?
C80 C79 C78 O14 -160.4(6) . . . . ?
C80 C79 C78 C77 20.1(8) . . . . ?
C155 C156 C157 O41 3.9(12) . . . . ?
C155 C156 C157 C158 -177.0(7) . . . . ?
C72 C71 C68 C67 175.5(6) . . . . ?
C72 C07T C73 O16 -0.2(14) . . . . ?
C72 C07T C73 C74 -178.6(7) . . . . ?
C117 O45 C114 O44 -6.1(9) . . . . ?
C117 O45 C114 N7 175.3(5) . . . . ?
C57 C56 C55 C54 -176.6(6) . . . . ?
C57 C56 C55 C58 2.3(9) . . . . ?
C57 C60 C59 C58 -0.3(10) . . . . ?
C71 C70 C69 C66 1.9(10) . . . . ?
C71 C72 C07T C73 177.4(7) . . . . ?
C60 N4 C66 C69 -65.0(9) . . . . ?
C60 N4 C66 C67 111.1(8) . . . . ?
C60 N4 C61 O22 -1.4(10) . . . . ?
C60 N4 C61 O23 178.3(7) . . . . ?
C195 C196 C199 C200 -178.2(5) . . . . ?
C195 C196 C199 C198 1.7(9) . . . . ?
C195 C194 C197 C198 2.6(9) . . . . ?
C200 C199 C198 C197 -179.7(6) . . . . ?
C90 N1 C84 C83 -54.7(8) . . . . ?
C90 N1 C84 C81 121.3(7) . . . . ?
C90 N1 C85 O21 175.2(6) . . . . ?
C90 N1 C85 O20 -4.4(11) . . . . ?
C90 C92 C93 C95 2.1(9) . . . . ?
C10 N2 C16 C19 124.4(7) . . . . ?
C10 N2 C16 C17 -51.5(8) . . . . ?
C10 N2 C11 O19 168.2(6) . . . . ?
C10 N2 C11 O18 -11.4(10) . . . . ?
C10 C7 C6 C5 -0.2(9) . . . . ?
C184 C183 C186 C187 -0.5(9) . . . . ?
C160 C163 C162 C161 2.6(11) . . . . ?
C160 C159 C158 C157 -177.3(7) . . . . ?
C160 C159 C158 C161 2.5(12) . . . . ?
C85 O21 C87 C86 -64.3(8) . . . . ?
C85 O21 C87 C89 177.9(7) . . . . ?
C85 O21 C87 C88 60.5(9) . . . . ?
C85 N1 C84 C83 131.3(7) . . . . ?
C85 N1 C84 C81 -52.6(9) . . . . ?
C85 N1 C90 C92 110.4(7) . . . . ?
C85 N1 C90 C91 -73.5(10) . . . . ?
C1 C2 C3 C4 -175.3(6) . . . . ?
C36 O24 C37 C38 -174.4(7) . . . . ?
C36 O24 C37 C40 -56.9(10) . . . . ?
C36 O24 C37 C39 68.2(9) . . . . ?
C36 N3 C41 C44 127.5(7) . . . . ?
C36 N3 C41 C42 -56.4(9) . . . . ?
C36 N3 C35 C32 -95.8(8) . . . . ?
C36 N3 C35 C34 86.8(7) . . . . ?
C33 C30 C29 O9 31.4(9) . . . . ?
C33 C30 C29 C28 -146.3(7) . . . . ?
C33 C34 C35 N3 175.5(6) . . . . ?
C33 C34 C35 C32 -1.9(9) . . . . ?
C3 C4 C5 C8 -151.1(6) . . . . ?
C3 C4 C5 C6 28.4(9) . . . . ?
C3 C2 C1 F2B 36.8(9) . . . . ?
C3 C2 C1 F1B 154.2(7) . . . . ?
C3 C2 C1 F3B -91.3(8) . . . . ?
C3 C2 C1 F1A -159.1(7) . . . . ?
C3 C2 C1 F3A -42.2(9) . . . . ?
C3 C2 C1 F2A 73.5(8) . . . . ?
C69 C70 C71 C72 -177.2(6) . . . . ?
C69 C70 C71 C68 0.9(10) . . . . ?
C181 C182 C183 C186 160.4(6) . . . . ?
C181 C182 C183 C184 -21.8(10) . . . . ?
C181 C180 C179 F33B 115.1(14) . . . . ?
C181 C180 C179 F31B -127.6(12) . . . . ?
C181 C180 C179 F32B -15.4(18) . . . . ?
C181 C180 C1Q F33A 115.1(9) . . . . ?
C181 C180 C1Q F32A -1.2(13) . . . . ?
C181 C180 C1Q F31A -125.7(9) . . . . ?
C23 C24 C25 F23 -119.1(7) . . . . ?
C23 C24 C25 F24 4.4(10) . . . . ?
C23 C24 C25 F22 124.3(7) . . . . ?
C22 C21 C18 C17 179.9(6) . . . . ?
C22 C23 C24 O11 8.2(11) . . . . ?
C22 C23 C24 C25 -170.4(6) . . . . ?
C31 C30 C29 O9 -146.4(6) . . . . ?
C31 C30 C29 C28 35.9(9) . . . . ?
C31 C32 C35 N3 -176.4(6) . . . . ?
C31 C32 C35 C34 1.0(10) . . . . ?
C198 C199 C200 O39 -15.0(8) . . . . ?
C198 C199 C200 C201 163.7(5) . . . . ?
C194 N5 C188 C187 70.0(8) . . . . ?
C194 N5 C188 C185 -106.9(8) . . . . ?
C194 N5 C189 O51 175.7(8) . . . . ?
C194 N5 C189 O50 -3.5(11) . . . . ?
C157 C156 C155 O42 -3.8(12) . . . . ?
C157 C156 C155 C154 176.0(7) . . . . ?
C30 C33 C34 C35 1.5(10) . . . . ?
C30 C31 C32 C35 0.4(10) . . . . ?
C30 C29 C28 C27 173.3(7) . . . . ?
C32 C31 C30 C33 -0.8(10) . . . . ?
C32 C31 C30 C29 176.9(6) . . . . ?
C18 C21 C22 O12 36.9(8) . . . . ?
C18 C21 C22 C23 -138.5(6) . . . . ?
C87 O21 C85 O20 -4.2(12) . . . . ?
C87 O21 C85 N1 176.2(6) . . . . ?
C34 C33 C30 C31 -0.1(10) . . . . ?
C34 C33 C30 C29 -178.0(6) . . . . ?
C165 O48 C164 O49 9.4(10) . . . . ?
C165 O48 C164 N6 -172.5(6) . . . . ?
C24 C23 C22 O12 1.5(10) . . . . ?
C24 C23 C22 C21 176.5(6) . . . . ?
C187 C188 C185 C184 -2.9(11) . . . . ?
C188 N5 C194 C195 -110.2(7) . . . . ?
C188 N5 C194 C197 65.7(8) . . . . ?
C188 N5 C189 O51 -7.8(12) . . . . ?
C188 N5 C189 O50 173.0(7) . . . . ?
C138 N8 C144 C147 -120.8(7) . . . . ?
C138 N8 C144 C145 57.2(8) . . . . ?
C138 N8 C139 O47 177.8(6) . . . . ?
C138 N8 C139 O46 -3.5(11) . . . . ?
C139 O47 C141 C140 59.4(8) . . . . ?
C139 O47 C141 C143 176.1(6) . . . . ?
C139 O47 C141 C142 -66.5(8) . . . . ?
C139 N8 C144 C147 53.1(10) . . . . ?
C139 N8 C144 C145 -128.9(7) . . . . ?
C139 N8 C138 C135 -106.1(7) . . . . ?
C139 N8 C138 C137 77.1(8) . . . . ?
C162 C163 C160 C159 -2.3(11) . . . . ?
C162 C161 C158 C157 177.7(7) . . . . ?
C162 C161 C158 C159 -2.1(11) . . . . ?
C66 N4 C60 C57 -70.1(8) . . . . ?
C66 N4 C60 C59 105.5(8) . . . . ?
C66 N4 C61 O22 175.9(7) . . . . ?
C66 N4 C61 O23 -4.4(12) . . . . ?
C66 C67 C68 C71 1.4(10) . . . . ?
C97 C96 C95 C93 -156.2(6) . . . . ?
C97 C96 C95 C94 24.8(10) . . . . ?
C97 C98 C99 F5 -15.3(12) . . . . ?
C97 C98 C99 F4 -134.3(8) . . . . ?
C97 C98 C99 F6 105.1(8) . . . . ?
C28 C27 C26 F19 -5.0(12) . . . . ?
C28 C27 C26 F21 113.9(8) . . . . ?
C28 C27 C26 F20 -128.2(8) . . . . ?
C35 N3 C41 C44 -68.2(8) . . . . ?
C35 N3 C41 C42 107.9(7) . . . . ?
C35 N3 C36 O24 -166.9(6) . . . . ?
C35 N3 C36 O25 13.4(10) . . . . ?
C61 O22 C62 C64 63.2(8) . . . . ?
C61 O22 C62 C63 -178.2(7) . . . . ?
C61 O22 C62 C65 -61.9(9) . . . . ?
C61 N4 C60 C57 107.3(8) . . . . ?
C61 N4 C60 C59 -77.1(9) . . . . ?
C61 N4 C66 C69 117.5(8) . . . . ?
C61 N4 C66 C67 -66.4(10) . . . . ?
C218 N12 C222 C223 59.5(10) . . . . ?
C218 N12 C220 C221 -177.3(8) . . . . ?
C218 N12 C216 C217 -63.6(10) . . . . ?
C07T C72 C71 C70 -164.6(6) . . . . ?
C07T C72 C71 C68 17.4(10) . . . . ?
C07T C73 C74 F16 -20.0(11) . . . . ?
C07T C73 C74 F18 -141.4(8) . . . . ?
C07T C73 C74 F17 101.4(9) . . . . ?
C94 C95 C93 C92 1.4(10) . . . . ?
C68 C67 C66 N4 -174.6(6) . . . . ?
C68 C67 C66 C69 1.5(10) . . . . ?
C189 O50 C190 C192 -56.3(14) . . . . ?
C189 O50 C190 C191 70.0(13) . . . . ?
C189 O50 C190 C193 -176.2(10) . . . . ?
C189 O50 C240 C241 -80.5(17) . . . . ?
C189 O50 C240 C242 163.2(15) . . . . ?
C189 O50 C240 C243 41(2) . . . . ?
C189 N5 C194 C195 66.4(10) . . . . ?
C189 N5 C194 C197 -117.7(8) . . . . ?
C189 N5 C188 C187 -106.8(8) . . . . ?
C189 N5 C188 C185 76.2(10) . . . . ?
C12 O19 C11 O18 -0.1(11) . . . . ?
C12 O19 C11 N2 -179.6(6) . . . . ?
C11 O19 C12 C15 -179.7(6) . . . . ?
C11 O19 C12 C13 -62.4(8) . . . . ?
C11 O19 C12 C14 61.5(8) . . . . ?
C11 N2 C16 C19 -63.0(9) . . . . ?
C11 N2 C16 C17 121.1(7) . . . . ?
C11 N2 C10 C7 -64.2(9) . . . . ?
C11 N2 C10 C9 120.0(7) . . . . ?
C210 N11 C214 C215 -51.0(11) . . . . ?
C210 N11 C213 C212 -62.8(10) . . . . ?
C210 N11 C208 C209 175.4(10) . . . . ?
C131 C132 C133 C134 161.9(8) . . . . ?
C131 C132 C133 C136 -18.0(11) . . . . ?
C131 C130 C129 F39 -132.2(10) . . . . ?
C131 C130 C129 F37B 7.5(16) . . . . ?
C131 C130 C129 F38B 112.9(11) . . . . ?
C131 C130 C129 F38A 86.9(16) . . . . ?
C131 C130 C129 F37A -23.1(15) . . . . ?
C131 C130 O36A Eu4 -28.6(18) . . . . ?
C37 O24 C36 O25 -0.3(11) . . . . ?
C37 O24 C36 N3 -180.0(6) . . . . ?
C214 N11 C210 C211 -50.8(9) . . . . ?
C214 N11 C213 C212 174.8(8) . . . . ?
C214 N11 C208 C209 -64.6(13) . . . . ?
C62 O22 C61 O23 -12.7(12) . . . . ?
C62 O22 C61 N4 167.0(6) . . . . ?
C213 N11 C210 C211 -171.2(7) . . . . ?
C213 N11 C214 C215 70.7(10) . . . . ?
C213 N11 C208 C209 54.8(12) . . . . ?
C26 C27 C28 C29 -175.5(8) . . . . ?
C230 N9 C224 C225 -44(2) . . . . ?
C230 N9 C226 C227 55.4(18) . . . . ?
C230 N9 C228 C229 -178.1(13) . . . . ?
C222 N12 C218 C219 50.6(10) . . . . ?
C222 N12 C220 C221 -56.4(10) . . . . ?
C222 N12 C216 C217 173.5(8) . . . . ?
C190 O50 C189 O51 -14.5(15) . . . . ?
C190 O50 C189 N5 164.6(9) . . . . ?
C129 C130 O36A Eu4 165.4(6) . . . . ?
C220 N12 C218 C219 168.4(7) . . . . ?
C220 N12 C222 C223 -59.0(10) . . . . ?
C220 N12 C216 C217 58.8(11) . . . . ?
C224 N9 C230 C231 -60.5(17) . . . . ?
C224 N9 C226 C227 -174.7(15) . . . . ?
C224 N9 C228 C229 67.7(15) . . . . ?
C238 N10 C234 C235 60.4(15) . . . . ?
C238 N10 C236 C237 -173.9(12) . . . . ?
C238 N10 C1A C233 -69.9(15) . . . . ?
C234 N10 C238 C239 56.8(15) . . . . ?
C234 N10 C236 C237 -46.7(15) . . . . ?
C234 N10 C1A C233 172.6(14) . . . . ?
C236 N10 C238 C239 -177.7(12) . . . . ?
C236 N10 C234 C235 -68.1(14) . . . . ?
C236 N10 C1A C233 58.7(16) . . . . ?
C208 N11 C210 C211 66.8(9) . . . . ?
C208 N11 C214 C215 -167.3(9) . . . . ?
C208 N11 C213 C212 55.3(10) . . . . ?
C216 N12 C218 C219 -68.2(10) . . . . ?
C216 N12 C222 C223 -175.8(8) . . . . ?
C216 N12 C220 C221 56.6(12) . . . . ?
C226 N9 C230 C231 72.5(16) . . . . ?
C226 N9 C224 C225 -175.3(16) . . . . ?
C226 N9 C228 C229 -61.5(15) . . . . ?
C1A N10 C238 C239 -51.0(14) . . . . ?
C1A N10 C234 C235 176.2(13) . . . . ?
C1A N10 C236 C237 59.9(15) . . . . ?
C228 N9 C230 C231 -173.2(14) . . . . ?
C228 N9 C224 C225 59.6(19) . . . . ?
C228 N9 C226 C227 -50.1(17) . . . . ?
C1B N9 C1C C1D -178.4(10) . . . . ?
C1B N9 C1E C1I 57.1(12) . . . . ?
C1B N9 C1F C1G -52.6(14) . . . . ?
C1C N9 C1B C1H -177.0(8) . . . . ?
C1C N9 C1E C1I -51.0(12) . . . . ?
C1C N9 C1F C1G 56.7(13) . . . . ?
C1E N9 C1B C1H 68.0(10) . . . . ?
C1E N9 C1C C1D -62.3(11) . . . . ?
C1E N9 C1F C1G -178.9(11) . . . . ?
C1F N9 C1B C1H -59.8(10) . . . . ?
C1F N9 C1C C1D 64.5(11) . . . . ?
C1F N9 C1E C1I -176.5(10) . . . . ?
C1J N10 C1K C1N -64.7(9) . . . . ?
C1J N10 C1L C1O -179.1(7) . . . . ?
C1J N10 C232 C1P 60.3(10) . . . . ?
C1K N10 C1J C1M -52.6(9) . . . . ?
C1K N10 C1L C1O 58.8(9) . . . . ?
C1K N10 C232 C1P 177.6(8) . . . . ?
C1L N10 C1J C1M -175.7(7) . . . . ?
C1L N10 C1K C1N 57.6(9) . . . . ?
C1L N10 C232 C1P -64.1(9) . . . . ?
C232 N10 C1J C1M 59.2(9) . . . . ?
C232 N10 C1K C1N 175.9(8) . . . . ?
C232 N10 C1L C1O -53.1(9) . . . . ?
C240 O50 C189 O51 14.8(18) . . . . ?
C240 O50 C189 N5 -166.0(13) . . . . ?
O36A C130 C129 F39 35.6(13) . . . . ?
O36A C130 C129 F38A -105.4(15) . . . . ?
O36A C130 C129 F37A 144.7(11) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 370 electrons were 
found in a volume of 1576Å³ in 4 voids per unit cell. 
This value closely fits the presence of 12 ethanol and 4 water 
molecules which account for 370 electrons.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.128 0.186 0.833 413.8 99.6 '3 EtOH,2 H2O'
2 0.038 0.412 0.907 8.8 0.0 ?
3 -0.038 0.588 0.093 8.8 0.0 ?
4 -0.128 0.814 0.167 413.8 101.5 '3 EtOH,2 H2O'
5 0.388 0.212 0.177 319.2 76.3 '3 EtOH'
6 0.332 0.514 0.359 46.5 8.6 '1 H2O'
7 0.612 0.788 0.823 319.2 73.5 '3 EtOH'
8 0.668 0.486 0.641 46.5 9.2 '1 H2O'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_exptl_crystal_mounting_method 
'The crystal was mounted on a nylon loop in perfluoroether oil'
_olex2_submission_special_instructions 'No special instructions were received'
