# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_complex1
_database_code_depnum_ccdc_archive 'CCDC 2024373'
loop_
_audit_author_name
_audit_author_address
'Hongdao Li' 'Taiyuan Institute of Technology'
_audit_update_record             
;
2020-08-20 deposited with the CCDC.	2020-11-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H18 N3 O2'
_chemical_formula_weight         284.33

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'
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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x+1/2, y, z+1/2'
'x+1/2, -y, z'

_cell_length_a                   15.2203(3)
_cell_length_b                   8.09480(16)
_cell_length_c                   11.9026(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1466.46(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6182
_cell_measurement_theta_min      4.7140
_cell_measurement_theta_max      70.9620

_exptl_crystal_description       block
_exptl_crystal_colour            pink
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.288
_exptl_crystal_F_000             604
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.130
_exptl_absorpt_coefficient_mu    0.703
_shelx_estimated_absorpt_T_min   0.896
_shelx_estimated_absorpt_T_max   0.914
_exptl_absorpt_correction_T_min  0.86493
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            8594
_diffrn_reflns_av_unetI/netI     0.0210
_diffrn_reflns_av_R_equivalents  0.0235
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         5.465
_diffrn_reflns_theta_max         67.227
_diffrn_reflns_theta_full        67.227
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_point_group_measured_fraction_full 0.951
_reflns_number_total             2494
_reflns_number_gt                2396
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.814
_reflns_Friedel_fraction_max     0.902
_reflns_Friedel_fraction_full    0.902

_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.
;

_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0497P)²+0.1366P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.0127(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
;
 Flack x determined using 1012 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.56(11)
_chemical_absolute_configuration rm
_refine_ls_number_reflns         2494
_refine_ls_number_parameters     195
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0323
_refine_ls_R_factor_gt           0.0308
_refine_ls_wR_factor_ref         0.0838
_refine_ls_wR_factor_gt          0.0829
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
N1 N 0.33208(12) 0.2801(3) 0.72309(17) 0.0412(5) Uani 1 1 d . . . . .
N2 N 0.26047(11) -0.0737(2) 0.56352(19) 0.0412(5) Uani 1 1 d . . . . .
N3 N 0.15971(11) 0.1129(2) 0.59632(18) 0.0386(4) Uani 1 1 d . . . . .
O1 O 0.33338(12) -0.1388(2) 0.5349(2) 0.0674(6) Uani 1 1 d . . . . .
O2 O 0.12201(11) 0.25351(19) 0.6030(2) 0.0584(6) Uani 1 1 d . . . . .
C1 C 0.37025(17) 0.3759(3) 0.7976(2) 0.0514(6) Uani 1 1 d . . . . .
H1 H 0.362565 0.350932 0.873183 0.062 Uiso 1 1 calc R U . . .
C2 C 0.42204(17) 0.5140(4) 0.7700(3) 0.0539(7) Uani 1 1 d . . . . .
H2 H 0.446051 0.579209 0.826551 0.065 Uiso 1 1 calc R U . . .
C3 C 0.43665(15) 0.5514(3) 0.6617(3) 0.0496(7) Uani 1 1 d . . . . .
H3 H 0.471955 0.640736 0.642378 0.060 Uiso 1 1 calc R U . . .
C4 C 0.39750(13) 0.4527(3) 0.5773(2) 0.0381(5) Uani 1 1 d . . . . .
C5 C 0.40733(16) 0.4841(3) 0.4618(2) 0.0473(6) Uani 1 1 d . . . . .
H5 H 0.440712 0.573911 0.438335 0.057 Uiso 1 1 calc R U . . .
C6 C 0.36895(17) 0.3856(3) 0.3845(2) 0.0488(6) Uani 1 1 d . . . . .
H6 H 0.377315 0.406461 0.308423 0.059 Uiso 1 1 calc R U . . .
C7 C 0.31644(16) 0.2518(3) 0.4185(2) 0.0414(5) Uani 1 1 d . . . . .
H7 H 0.290356 0.184543 0.364628 0.050 Uiso 1 1 calc R U . . .
C8 C 0.30340(13) 0.2199(2) 0.53006(19) 0.0329(5) Uani 1 1 d . . . . .
C9 C 0.34479(12) 0.3182(2) 0.61294(19) 0.0324(4) Uani 1 1 d . . . . .
C10 C 0.24273(13) 0.0883(2) 0.56453(19) 0.0331(5) Uani 1 1 d . . . . .
C11 C 0.10973(14) -0.0466(3) 0.6044(2) 0.0428(6) Uani 1 1 d . . . . .
C12 C 0.18728(15) -0.1711(3) 0.6149(2) 0.0456(6) Uani 1 1 d . . . . .
C13 C 0.0474(2) -0.0416(4) 0.7041(3) 0.0697(9) Uani 1 1 d . . . . .
H13A H 0.079263 -0.010770 0.770428 0.105 Uiso 1 1 calc R U . . .
H13B H 0.021656 -0.148796 0.714667 0.105 Uiso 1 1 calc R U . . .
H13C H 0.001840 0.037781 0.690084 0.105 Uiso 1 1 calc R U . . .
C14 C 0.05838(19) -0.0611(4) 0.4952(3) 0.0667(8) Uani 1 1 d . . . . .
H14A H 0.020233 0.032624 0.487353 0.100 Uiso 1 1 calc R U . . .
H14B H 0.023944 -0.160461 0.496355 0.100 Uiso 1 1 calc R U . . .
H14C H 0.098546 -0.064644 0.433106 0.100 Uiso 1 1 calc R U . . .
C15 C 0.2159(3) -0.2032(4) 0.7357(3) 0.0735(9) Uani 1 1 d . . . . .
H15A H 0.268335 -0.269226 0.735773 0.110 Uiso 1 1 calc R U . . .
H15B H 0.170089 -0.260798 0.774904 0.110 Uiso 1 1 calc R U . . .
H15C H 0.227392 -0.099912 0.772476 0.110 Uiso 1 1 calc R U . . .
C16 C 0.1753(2) -0.3322(3) 0.5519(4) 0.0706(10) Uani 1 1 d . . . . .
H16A H 0.166882 -0.309622 0.473423 0.106 Uiso 1 1 calc R U . . .
H16B H 0.124862 -0.389371 0.580746 0.106 Uiso 1 1 calc R U . . .
H16C H 0.226602 -0.399801 0.561480 0.106 Uiso 1 1 calc R U . . .


_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
N1 C1 1.314(3) . ?
N1 C9 1.361(3) . ?
N2 O1 1.275(2) . ?
N2 C10 1.339(2) . ?
N2 C12 1.496(3) . ?
N3 O2 1.277(2) . ?
N3 C10 1.334(3) . ?
N3 C11 1.502(3) . ?
C1 C2 1.407(4) . ?
C2 C3 1.343(4) . ?
C3 C4 1.415(3) . ?
C4 C5 1.406(4) . ?
C4 C9 1.417(3) . ?
C5 C6 1.350(4) . ?
C6 C7 1.405(3) . ?
C7 C8 1.368(3) . ?
C8 C9 1.415(3) . ?
C8 C10 1.468(3) . ?
C11 C13 1.519(4) . ?
C11 C14 1.521(4) . ?
C11 C12 1.557(3) . ?
C12 C16 1.516(4) . ?
C12 C15 1.525(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 N1 C9 117.0(2) . . ?
O1 N2 C10 125.65(18) . . ?
O1 N2 C12 122.64(18) . . ?
C10 N2 C12 111.27(17) . . ?
O2 N3 C10 125.18(18) . . ?
O2 N3 C11 122.32(17) . . ?
C10 N3 C11 111.71(16) . . ?
N1 C1 C2 124.1(3) . . ?
C3 C2 C1 119.7(2) . . ?
C2 C3 C4 119.0(2) . . ?
C5 C4 C3 123.2(2) . . ?
C5 C4 C9 119.5(2) . . ?
C3 C4 C9 117.4(2) . . ?
C6 C5 C4 120.9(2) . . ?
C5 C6 C7 120.3(2) . . ?
C8 C7 C6 120.5(2) . . ?
C7 C8 C9 120.4(2) . . ?
C7 C8 C10 120.0(2) . . ?
C9 C8 C10 119.5(2) . . ?
N1 C9 C8 118.73(18) . . ?
N1 C9 C4 122.90(19) . . ?
C8 C9 C4 118.4(2) . . ?
N3 C10 N2 109.85(17) . . ?
N3 C10 C8 124.54(17) . . ?
N2 C10 C8 125.53(18) . . ?
N3 C11 C13 110.1(2) . . ?
N3 C11 C14 105.8(2) . . ?
C13 C11 C14 110.4(2) . . ?
N3 C11 C12 100.23(16) . . ?
C13 C11 C12 115.4(2) . . ?
C14 C11 C12 114.1(2) . . ?
N2 C12 C16 109.9(2) . . ?
N2 C12 C15 105.2(2) . . ?
C16 C12 C15 110.8(2) . . ?
N2 C12 C11 100.98(17) . . ?
C16 C12 C11 115.2(2) . . ?
C15 C12 C11 113.7(2) . . ?

_refine_diff_density_max         0.171
_refine_diff_density_min         -0.127
_refine_diff_density_rms         0.026



####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2024375'
loop_
_audit_author_name
_audit_author_address
'Hongdao Li' 'Taiyuan Institute of Technology'
_audit_update_record             
;
2020-08-20 deposited with the CCDC.	2020-11-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C62 H42 Dy2 F36 N6 O16'
_chemical_formula_sum            'C62 H42 Dy2 F36 N6 O16'
_chemical_formula_weight         2136.01

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'
Dy Dy -0.1892 4.4098 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   22.7736(11)
_cell_length_b                   16.6481(8)
_cell_length_c                   22.7247(11)
_cell_angle_alpha                90
_cell_angle_beta                 117.2050(10)
_cell_angle_gamma                90
_cell_volume                     7662.7(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    24358
_cell_measurement_theta_min      2.39
_cell_measurement_theta_max      26.40

_exptl_crystal_description       block
_exptl_crystal_colour            pink
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.852
_exptl_crystal_F_000             4160
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.18
_exptl_absorpt_coefficient_mu    2.090
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1815
_exptl_absorpt_correction_T_max  0.2602
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            83997
_diffrn_reflns_av_unetI/netI     0.0465
_diffrn_reflns_av_R_equivalents  0.0607
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         2.015
_diffrn_reflns_theta_max         26.420
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             15709
_reflns_number_gt                12242
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²+30.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15709
_refine_ls_number_parameters     1107
_refine_ls_number_restraints     52
_refine_ls_R_factor_all          0.0837
_refine_ls_R_factor_gt           0.0613
_refine_ls_wR_factor_ref         0.1829
_refine_ls_wR_factor_gt          0.1656
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_restrained_S_all      1.134
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Dy1 Dy 0.49059(2) 0.38046(2) 0.26147(2) 0.02767(11) Uani 1 1 d . . . . .
O3 O 0.3781(2) 0.3750(3) 0.1874(3) 0.0337(11) Uani 1 1 d . . . . .
O6 O 0.5994(2) 0.4092(3) 0.2870(2) 0.0328(11) Uani 1 1 d . . . . .
F10 F 0.7101(2) 0.4326(3) 0.2779(3) 0.0595(14) Uani 1 1 d . . . . .
O4 O 0.4802(2) 0.4252(3) 0.1585(3) 0.0350(11) Uani 1 1 d . . . . .
N2 N 0.5186(3) 0.2047(3) 0.2008(3) 0.0321(13) Uani 1 1 d . . . . .
O1 O 0.4898(3) 0.2723(3) 0.1940(3) 0.0378(12) Uani 1 1 d . . . . .
N3 N 0.5466(3) 0.0812(4) 0.2281(3) 0.0341(14) Uani 1 1 d . . . . .
F11 F 0.7312(2) 0.3328(3) 0.3432(3) 0.0651(16) Uani 1 1 d . . . . .
N1 N 0.3815(4) 0.1589(4) 0.1171(4) 0.0529(19) Uani 1 1 d . . . . .
O8 O 0.5523(2) 0.2766(3) 0.3366(3) 0.0347(11) Uani 1 1 d . . . . .
C12 C 0.6009(4) 0.1132(4) 0.2139(4) 0.0385(18) Uani 1 1 d . . . . .
O7 O 0.4310(2) 0.3374(3) 0.3163(3) 0.0367(12) Uani 1 1 d . . . . .
O5 O 0.5397(2) 0.4432(3) 0.3671(3) 0.0364(12) Uani 1 1 d . . . . .
F17 F 0.6150(3) 0.1340(3) 0.4075(3) 0.0632(15) Uani 1 1 d . . . . .
C1 C 0.4435(4) 0.1277(4) 0.2313(4) 0.0331(16) Uani 1 1 d . . . . .
F12 F 0.7659(2) 0.4501(4) 0.3827(3) 0.0694(17) Uani 1 1 d . . . . .
C23 C 0.5989(4) 0.4523(4) 0.4099(4) 0.0339(16) Uani 1 1 d . . . . .
C10 C 0.5019(4) 0.1368(4) 0.2212(4) 0.0322(16) Uani 1 1 d . . . . .
F18 F 0.6687(2) 0.2420(4) 0.4421(3) 0.079(2) Uani 1 1 d . . . . .
F8 F 0.6195(4) 0.4016(4) 0.5134(3) 0.090(2) Uani 1 1 d . . . . .
C24 C 0.6548(4) 0.4466(5) 0.4003(4) 0.0380(17) Uani 1 1 d . . . . .
H24 H 0.6969 0.4585 0.4358 0.046 Uiso 1 1 calc R U . . .
F7 F 0.5578(3) 0.5036(5) 0.4809(3) 0.087(2) Uani 1 1 d . . . . .
F6 F 0.4825(5) 0.3953(4) 0.0382(4) 0.109(3) Uani 1 1 d . . . . .
F5 F 0.4887(4) 0.5175(4) 0.0625(3) 0.0810(19) Uani 1 1 d . . . . .
C2 C 0.4470(4) 0.1055(5) 0.2910(5) 0.0426(19) Uani 1 1 d . . . . .
H2 H 0.4885 0.0935 0.3274 0.051 Uiso 1 1 calc R U . . .
C3 C 0.3884(6) 0.1005(5) 0.2979(6) 0.062(3) Uani 1 1 d . . . . .
H3 H 0.3905 0.0846 0.3389 0.075 Uiso 1 1 calc R U . . .
F9 F 0.6608(3) 0.5147(4) 0.5150(3) 0.0756(18) Uani 1 1 d . . . . .
C25 C 0.6498(4) 0.4236(4) 0.3396(4) 0.0349(17) Uani 1 1 d . . . . .
F4 F 0.3995(4) 0.4720(6) -0.0102(3) 0.110(3) Uani 1 1 d . . . . .
C26 C 0.7149(4) 0.4123(5) 0.3354(5) 0.045(2) Uani 1 1 d . . . . .
C30 C 0.5524(4) 0.2523(4) 0.3886(4) 0.0347(16) Uani 1 1 d . . . . .
C28 C 0.4442(4) 0.3013(5) 0.3679(4) 0.0367(17) Uani 1 1 d . . . . .
C8 C 0.3820(4) 0.1433(5) 0.1756(5) 0.046(2) Uani 1 1 d . . . . .
C18 C 0.3441(4) 0.4013(5) 0.1307(4) 0.0369(17) Uani 1 1 d . . . . .
C4 C 0.3289(5) 0.1185(6) 0.2455(7) 0.066(3) Uani 1 1 d . . . . .
H4 H 0.2902 0.1174 0.2514 0.079 Uiso 1 1 calc R U . . .
C14 C 0.6132(5) 0.2630(5) 0.1913(5) 0.058(3) Uani 1 1 d . . . . .
H14A H 0.5878 0.3094 0.1658 0.087 Uiso 1 1 calc R U . . .
H14B H 0.6489 0.2515 0.1797 0.087 Uiso 1 1 calc R U . . .
H14C H 0.6321 0.2750 0.2387 0.087 Uiso 1 1 calc R U . . .
C17 C 0.2719(4) 0.4033(5) 0.1118(4) 0.050(2) Uani 1 1 d D U . . .
C13 C 0.5281(5) 0.1780(6) 0.1007(5) 0.061(3) Uani 1 1 d . . . . .
H13A H 0.4990 0.1313 0.0918 0.092 Uiso 1 1 calc R U . . .
H13B H 0.5583 0.1691 0.0816 0.092 Uiso 1 1 calc R U . . .
H13C H 0.5014 0.2260 0.0809 0.092 Uiso 1 1 calc R U . . .
C22 C 0.6085(4) 0.4705(5) 0.4793(4) 0.045(2) Uani 1 1 d . . . . .
C15 C 0.6596(4) 0.1288(6) 0.2810(5) 0.056(2) Uani 1 1 d . . . . .
H15A H 0.6474 0.1691 0.3050 0.085 Uiso 1 1 calc R U . . .
H15B H 0.6968 0.1488 0.2746 0.085 Uiso 1 1 calc R U . . .
H15C H 0.6723 0.0788 0.3065 0.085 Uiso 1 1 calc R U . . .
F14 F 0.3889(5) 0.3697(6) 0.4150(6) 0.143(4) Uani 1 1 d . U . . .
F16 F 0.6194(3) 0.1904(4) 0.4935(3) 0.0768(18) Uani 1 1 d . . . . .
C16 C 0.6167(4) 0.0491(5) 0.1758(5) 0.050(2) Uani 1 1 d . . . . .
H16A H 0.6387 0.0037 0.2051 0.075 Uiso 1 1 calc R U . . .
H16B H 0.6459 0.0716 0.1590 0.075 Uiso 1 1 calc R U . . .
H16C H 0.5757 0.0306 0.1386 0.075 Uiso 1 1 calc R U . . .
C31 C 0.6146(4) 0.2045(5) 0.4338(5) 0.050(2) Uani 1 1 d . . . . .
C19 C 0.3654(4) 0.4275(6) 0.0856(5) 0.052(2) Uani 1 1 d . . . . .
H19 H 0.3336 0.4416 0.0421 0.062 Uiso 1 1 calc R U . . .
C11 C 0.5678(4) 0.1900(5) 0.1752(4) 0.0409(18) Uani 1 1 d . . . . .
C29 C 0.5041(4) 0.2609(5) 0.4089(4) 0.0414(18) Uani 1 1 d . . . . .
H29 H 0.5109 0.2397 0.4503 0.050 Uiso 1 1 calc R U . . .
C21 C 0.4502(5) 0.4553(5) 0.0478(4) 0.050(2) Uani 1 1 d . . . . .
C27 C 0.3917(5) 0.3020(6) 0.3910(5) 0.052(2) Uani 1 1 d . . . . .
F13 F 0.3329(3) 0.2928(7) 0.3417(4) 0.125(3) Uani 1 1 d . . . . .
C20 C 0.4316(4) 0.4334(4) 0.1025(4) 0.0383(17) Uani 1 1 d . . . . .
F1 F 0.2579(4) 0.4470(7) 0.1519(6) 0.147(4) Uani 1 1 d . U . . .
F3 F 0.2433(3) 0.3413(5) 0.1042(6) 0.133(3) Uani 1 1 d . U . . .
C9 C 0.3236(4) 0.1390(5) 0.1822(6) 0.056(3) Uani 1 1 d . . . . .
F15 F 0.3955(4) 0.2463(6) 0.4316(4) 0.126(3) Uani 1 1 d . U . . .
F2 F 0.2350(4) 0.4473(8) 0.0585(5) 0.166(4) Uani 1 1 d D U . . .
C6 C 0.2643(6) 0.1701(7) 0.0670(7) 0.084(4) Uani 1 1 d . . . . .
H6 H 0.2247 0.1801 0.0277 0.100 Uiso 1 1 calc R U . . .
C7 C 0.3241(5) 0.1718(6) 0.0660(6) 0.075(4) Uani 1 1 d . . . . .
H7 H 0.3237 0.1832 0.0249 0.090 Uiso 1 1 calc R U . . .
Dy2 Dy 0.00079(2) 0.14134(2) 0.24097(2) 0.02715(11) Uani 1 1 d . . . . .
O13 O 0.1138(2) 0.1320(3) 0.3131(3) 0.0330(11) Uani 1 1 d . . . . .
O16 O -0.1069(2) 0.1737(3) 0.2175(3) 0.0342(11) Uani 1 1 d . . . . .
F20 F -0.1278(3) -0.1113(3) 0.0980(3) 0.0707(17) Uani 1 1 d . . . . .
O14 O 0.0151(2) 0.1889(3) 0.3440(2) 0.0333(11) Uani 1 1 d . . . . .
F35 F -0.2391(3) 0.0929(4) 0.1589(3) 0.0716(17) Uani 1 1 d . . . . .
C32 C -0.0519(4) 0.3883(4) 0.2303(4) 0.0345(16) Uani 1 1 d . . . . .
O15 O -0.0494(2) 0.2026(3) 0.1353(2) 0.0344(11) Uani 1 1 d . . . . .
O11 O -0.0670(2) 0.0388(3) 0.1701(3) 0.0361(12) Uani 1 1 d . . . . .
O12 O 0.0553(2) 0.0902(3) 0.1848(2) 0.0349(11) Uani 1 1 d . . . . .
O10 O 0.0500(2) 0.2679(3) 0.2495(3) 0.0368(12) Uani 1 1 d . . . . .
N6 N 0.0481(3) 0.3373(3) 0.2246(3) 0.0299(13) Uani 1 1 d . . . . .
N5 N 0.0229(3) 0.4623(3) 0.1977(3) 0.0321(13) Uani 1 1 d . . . . .
F36 F -0.2167(3) 0.1889(4) 0.2288(3) 0.0684(16) Uani 1 1 d . . . . .
C41 C 0.0053(3) 0.3959(4) 0.2182(4) 0.0304(15) Uani 1 1 d . . . . .
F23 F 0.0851(4) 0.1112(4) 0.0715(3) 0.081(2) Uani 1 1 d . . . . .
F24 F 0.1502(2) 0.0467(4) 0.1570(3) 0.0671(16) Uani 1 1 d . . . . .
C43 C 0.1013(4) 0.3644(4) 0.2075(4) 0.0365(17) Uani 1 1 d . . . . .
F34 F -0.2736(2) 0.2126(4) 0.1257(3) 0.0759(18) Uani 1 1 d . . . . .
C61 C -0.1579(4) 0.1844(4) 0.1651(4) 0.0372(17) Uani 1 1 d . . . . .
C42 C 0.0723(4) 0.4461(4) 0.1720(4) 0.0382(17) Uani 1 1 d . . . . .
C49 C -0.0703(4) 0.0099(4) 0.1173(4) 0.0331(16) Uani 1 1 d . . . . .
F19 F -0.1855(3) -0.0060(4) 0.0777(3) 0.0767(19) Uani 1 1 d . . . . .
C52 C 0.0899(4) 0.0477(5) 0.1074(4) 0.0423(19) Uani 1 1 d . . . . .
F29 F 0.0050(4) 0.1682(4) 0.4585(4) 0.096(2) Uani 1 1 d . . . . .
F22 F 0.0835(3) -0.0170(3) 0.0712(3) 0.0575(13) Uani 1 1 d . . . . .
C58 C -0.1189(4) 0.2304(5) 0.0229(4) 0.0425(19) Uani 1 1 d . . . . .
C59 C -0.1092(4) 0.2110(4) 0.0931(4) 0.0373(17) Uani 1 1 d . . . . .
C62 C -0.2224(4) 0.1720(5) 0.1701(5) 0.046(2) Uani 1 1 d . . . . .
C60 C -0.1644(4) 0.2042(5) 0.1026(4) 0.0405(18) Uani 1 1 d . . . . .
H60 H -0.2070 0.2130 0.0667 0.049 Uiso 1 1 calc R U . . .
F31 F -0.1148(5) 0.1635(4) -0.0066(3) 0.103(3) Uani 1 1 d . . . . .
C39 C -0.1149(4) 0.4016(4) 0.1760(5) 0.0430(19) Uani 1 1 d . . . . .
F30 F 0.0154(4) 0.2914(4) 0.4409(3) 0.0797(19) Uani 1 1 d . . . . .
C51 C 0.0375(3) 0.0513(4) 0.1330(4) 0.0337(16) Uani 1 1 d . . . . .
C50 C -0.0227(4) 0.0141(5) 0.0954(4) 0.0391(17) Uani 1 1 d . . . . .
H50 H -0.0315 -0.0089 0.0539 0.047 Uiso 1 1 calc R U . . .
F32 F -0.1780(3) 0.2606(5) -0.0166(3) 0.086(2) Uani 1 1 d . . . . .
C55 C 0.1289(4) 0.1841(5) 0.4155(4) 0.049(2) Uani 1 1 d . . . . .
H55 H 0.1613 0.1948 0.4595 0.058 Uiso 1 1 calc R U . . .
C33 C -0.0466(4) 0.3655(4) 0.2911(4) 0.0399(18) Uani 1 1 d . . . . .
H33 H -0.0043 0.3546 0.3267 0.048 Uiso 1 1 calc R U . . .
C53 C 0.2229(4) 0.1568(5) 0.3917(4) 0.048(2) Uani 1 1 d D U . . .
F21 F -0.1463(3) -0.0426(5) 0.0133(3) 0.090(2) Uani 1 1 d . . . . .
C34 C -0.1028(5) 0.3581(6) 0.3007(6) 0.061(3) Uani 1 1 d . . . . .
H34 H -0.0985 0.3433 0.3429 0.073 Uiso 1 1 calc R U . . .
C48 C -0.1333(4) -0.0371(5) 0.0760(4) 0.0435(19) Uani 1 1 d . . . . .
C40 C -0.1720(4) 0.3943(5) 0.1865(6) 0.059(3) Uani 1 1 d . . . . .
F28 F 0.0976(3) 0.2275(5) 0.5127(3) 0.096(2) Uani 1 1 d . . . . .
C57 C 0.0456(5) 0.2207(6) 0.4542(4) 0.052(2) Uani 1 1 d . . . . .
C56 C 0.0639(4) 0.1957(4) 0.3987(4) 0.0355(17) Uani 1 1 d . . . . .
F33 F -0.0762(3) 0.2793(5) 0.0220(3) 0.096(2) Uani 1 1 d . . . . .
C44 C 0.1639(4) 0.3742(6) 0.2725(5) 0.054(2) Uani 1 1 d . . . . .
H44A H 0.1558 0.4127 0.3007 0.081 Uiso 1 1 calc R U . . .
H44B H 0.1995 0.3941 0.2636 0.081 Uiso 1 1 calc R U . . .
H44C H 0.1765 0.3222 0.2950 0.081 Uiso 1 1 calc R U . . .
C54 C 0.1487(4) 0.1568(5) 0.3695(4) 0.0393(18) Uani 1 1 d . . . . .
F25 F 0.2517(4) 0.2190(6) 0.4202(6) 0.150(4) Uani 1 1 d . U . . .
F26 F 0.2515(4) 0.0982(6) 0.4153(7) 0.166(4) Uani 1 1 d . U . . .
C35 C -0.1638(6) 0.3723(6) 0.2495(7) 0.073(4) Uani 1 1 d . . . . .
H35 H -0.2017 0.3671 0.2566 0.087 Uiso 1 1 calc R U . . .
C45 C 0.1104(5) 0.3004(5) 0.1643(5) 0.055(2) Uani 1 1 d . . . . .
H45A H 0.1317 0.2531 0.1912 0.082 Uiso 1 1 calc R U . . .
H45B H 0.1381 0.3218 0.1453 0.082 Uiso 1 1 calc R U . . .
H45C H 0.0672 0.2852 0.1285 0.082 Uiso 1 1 calc R U . . .
F27 F 0.2347(5) 0.1704(9) 0.3398(5) 0.165(4) Uani 1 1 d D U . . .
O9 O -0.0047(3) 0.5307(3) 0.1906(3) 0.0397(12) Uani 1 1 d . . . . .
O2 O 0.5501(3) 0.0104(3) 0.2531(3) 0.0393(12) Uani 1 1 d . . . . .
N4 N -0.1178(4) 0.4167(4) 0.1160(4) 0.0512(19) Uani 1 1 d . . . . .
C46 C 0.0322(5) 0.4398(5) 0.0973(4) 0.053(2) Uani 1 1 d . . . . .
H46A H 0.0009 0.3951 0.0863 0.080 Uiso 1 1 calc R U . . .
H46B H 0.0618 0.4303 0.0776 0.080 Uiso 1 1 calc R U . . .
H46C H 0.0078 0.4899 0.0798 0.080 Uiso 1 1 calc R U . . .
C5 C 0.2625(5) 0.1543(6) 0.1239(8) 0.086(4) Uani 1 1 d . . . . .
H5 H 0.2216 0.1533 0.1257 0.103 Uiso 1 1 calc R U . . .
C47 C 0.1204(5) 0.5158(5) 0.1905(6) 0.058(3) Uani 1 1 d . . . . .
H47A H 0.0968 0.5643 0.1672 0.088 Uiso 1 1 calc R U . . .
H47B H 0.1551 0.5033 0.1778 0.088 Uiso 1 1 calc R U . . .
H47C H 0.1403 0.5249 0.2383 0.088 Uiso 1 1 calc R U . . .
C38 C -0.1766(5) 0.4269(6) 0.0652(6) 0.084(4) Uani 1 1 d . . . . .
H38 H -0.1785 0.4387 0.0235 0.101 Uiso 1 1 calc R U . . .
C36 C -0.2339(5) 0.4063(7) 0.1306(8) 0.086(4) Uani 1 1 d . . . . .
H36 H -0.2734 0.4041 0.1349 0.104 Uiso 1 1 calc R U . . .
C37 C -0.2364(6) 0.4217(8) 0.0683(8) 0.101(5) Uani 1 1 d . . . . .
H37 H -0.2774 0.4282 0.0298 0.121 Uiso 1 1 calc R U . . .


_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
Dy1 O2 2.316(5) 2_655 ?
Dy1 O6 2.322(5) . ?
Dy1 O7 2.335(5) . ?
Dy1 O3 2.337(5) . ?
Dy1 O1 2.361(5) . ?
Dy1 O4 2.362(5) . ?
Dy1 O5 2.376(5) . ?
Dy1 O8 2.384(5) . ?
O3 C18 1.240(9) . ?
O6 C25 1.245(9) . ?
F10 C26 1.305(10) . ?
O4 C20 1.256(9) . ?
N2 O1 1.275(7) . ?
N2 C10 1.341(9) . ?
N2 C11 1.499(9) . ?
N3 O2 1.296(7) . ?
N3 C10 1.330(9) . ?
N3 C12 1.511(9) . ?
F11 C26 1.364(10) . ?
N1 C7 1.311(12) . ?
N1 C8 1.350(12) . ?
O8 C30 1.249(9) . ?
C12 C16 1.518(11) . ?
C12 C15 1.520(13) . ?
C12 C11 1.540(11) . ?
O7 C28 1.226(9) . ?
O5 C23 1.261(9) . ?
F17 C31 1.320(10) . ?
C1 C2 1.371(12) . ?
C1 C8 1.417(11) . ?
C1 C10 1.459(10) . ?
F12 C26 1.326(10) . ?
C23 C24 1.389(10) . ?
C23 C22 1.521(11) . ?
F18 C31 1.316(10) . ?
F8 C22 1.342(10) . ?
C24 C25 1.385(11) . ?
C24 H24 0.9500 . ?
F7 C22 1.296(10) . ?
F6 C21 1.316(11) . ?
F5 C21 1.297(10) . ?
C2 C3 1.415(12) . ?
C2 H2 0.9500 . ?
C3 C4 1.367(16) . ?
C3 H3 0.9500 . ?
F9 C22 1.318(10) . ?
C25 C26 1.540(10) . ?
F4 C21 1.325(11) . ?
C30 C29 1.380(11) . ?
C30 C31 1.539(11) . ?
C28 C29 1.420(11) . ?
C28 C27 1.511(11) . ?
C8 C9 1.408(12) . ?
C18 C19 1.388(12) . ?
C18 C17 1.499(11) . ?
C4 C9 1.429(16) . ?
C4 H4 0.9500 . ?
C14 C11 1.529(11) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C17 F3 1.191(11) . ?
C17 F1 1.314(12) . ?
C17 F2 1.333(8) . ?
C13 C11 1.525(12) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
F14 C27 1.265(12) . ?
F16 C31 1.330(11) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C19 C20 1.378(11) . ?
C19 H19 0.9500 . ?
C29 H29 0.9500 . ?
C21 C20 1.531(11) . ?
C27 F15 1.283(11) . ?
C27 F13 1.304(11) . ?
C9 C5 1.439(15) . ?
C6 C5 1.338(19) . ?
C6 C7 1.371(17) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
Dy2 O12 2.311(5) . ?
Dy2 O16 2.323(4) . ?
Dy2 O13 2.341(5) . ?
Dy2 O14 2.350(5) . ?
Dy2 O10 2.353(5) . ?
Dy2 O15 2.367(5) . ?
Dy2 O11 2.369(5) . ?
Dy2 O9 2.385(5) 2_545 ?
O13 C54 1.230(9) . ?
O16 C61 1.238(9) . ?
F20 C48 1.317(10) . ?
O14 C56 1.236(9) . ?
F35 C62 1.362(10) . ?
C32 C33 1.383(11) . ?
C32 C39 1.418(11) . ?
C32 C41 1.454(10) . ?
O15 C59 1.265(9) . ?
O11 C49 1.262(9) . ?
O12 C51 1.237(9) . ?
O10 N6 1.278(7) . ?
N6 C41 1.339(9) . ?
N6 C43 1.502(9) . ?
N5 O9 1.274(7) . ?
N5 C41 1.331(9) . ?
N5 C42 1.512(9) . ?
F36 C62 1.310(10) . ?
F23 C52 1.311(10) . ?
F24 C52 1.321(10) . ?
C43 C44 1.521(12) . ?
C43 C45 1.526(11) . ?
C43 C42 1.565(11) . ?
F34 C62 1.326(10) . ?
C61 C60 1.398(12) . ?
C61 C62 1.540(10) . ?
C42 C47 1.516(11) . ?
C42 C46 1.521(11) . ?
C49 C50 1.387(11) . ?
C49 C48 1.524(10) . ?
F19 C48 1.314(10) . ?
C52 F22 1.323(9) . ?
C52 C51 1.549(10) . ?
F29 C57 1.308(11) . ?
C58 F33 1.277(10) . ?
C58 F31 1.324(10) . ?
C58 F32 1.328(9) . ?
C58 C59 1.542(11) . ?
C59 C60 1.373(11) . ?
C60 H60 0.9500 . ?
C39 N4 1.359(12) . ?
C39 C40 1.429(12) . ?
F30 C57 1.326(10) . ?
C51 C50 1.387(10) . ?
C50 H50 0.9500 . ?
C55 C56 1.363(11) . ?
C55 C54 1.391(12) . ?
C55 H55 0.9500 . ?
C33 C34 1.400(12) . ?
C33 H33 0.9500 . ?
C53 F26 1.160(11) . ?
C53 F25 1.237(11) . ?
C53 F27 1.343(8) . ?
C53 C54 1.526(11) . ?
F21 C48 1.317(10) . ?
C34 C35 1.364(16) . ?
C34 H34 0.9500 . ?
C40 C35 1.406(17) . ?
C40 C36 1.416(15) . ?
F28 C57 1.321(11) . ?
C57 C56 1.556(11) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C35 H35 0.9500 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
O9 Dy2 2.385(5) 2 ?
O2 Dy1 2.316(5) 2_645 ?
N4 C38 1.320(12) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C5 H5 0.9500 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C38 C37 1.397(19) . ?
C38 H38 0.9500 . ?
C36 C37 1.41(2) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?

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 Dy1 O6 98.92(18) 2_655 . ?
O2 Dy1 O7 94.08(19) 2_655 . ?
O6 Dy1 O7 138.07(17) . . ?
O2 Dy1 O3 72.43(18) 2_655 . ?
O6 Dy1 O3 151.76(18) . . ?
O7 Dy1 O3 70.11(18) . . ?
O2 Dy1 O1 137.37(19) 2_655 . ?
O6 Dy1 O1 90.55(18) . . ?
O7 Dy1 O1 106.17(19) . . ?
O3 Dy1 O1 79.74(18) . . ?
O2 Dy1 O4 73.23(18) 2_655 . ?
O6 Dy1 O4 78.14(17) . . ?
O7 Dy1 O4 143.70(17) . . ?
O3 Dy1 O4 73.62(17) . . ?
O1 Dy1 O4 68.24(17) . . ?
O2 Dy1 O5 72.95(19) 2_655 . ?
O6 Dy1 O5 72.65(17) . . ?
O7 Dy1 O5 73.50(17) . . ?
O3 Dy1 O5 126.82(17) . . ?
O1 Dy1 O5 148.43(18) . . ?
O4 Dy1 O5 130.51(17) . . ?
O2 Dy1 O8 147.75(19) 2_655 . ?
O6 Dy1 O8 76.00(17) . . ?
O7 Dy1 O8 72.01(17) . . ?
O3 Dy1 O8 125.51(17) . . ?
O1 Dy1 O8 74.87(17) . . ?
O4 Dy1 O8 134.21(17) . . ?
O5 Dy1 O8 75.19(18) . . ?
C18 O3 Dy1 133.9(5) . . ?
C25 O6 Dy1 133.6(5) . . ?
C20 O4 Dy1 132.9(5) . . ?
O1 N2 C10 125.1(6) . . ?
O1 N2 C11 122.0(6) . . ?
C10 N2 C11 112.0(6) . . ?
N2 O1 Dy1 138.0(4) . . ?
O2 N3 C10 125.1(6) . . ?
O2 N3 C12 121.4(6) . . ?
C10 N3 C12 112.8(6) . . ?
C7 N1 C8 117.4(10) . . ?
C30 O8 Dy1 131.2(5) . . ?
N3 C12 C16 107.8(6) . . ?
N3 C12 C15 106.1(7) . . ?
C16 C12 C15 111.4(7) . . ?
N3 C12 C11 100.2(6) . . ?
C16 C12 C11 116.1(7) . . ?
C15 C12 C11 114.0(7) . . ?
C28 O7 Dy1 135.4(5) . . ?
C23 O5 Dy1 132.5(5) . . ?
C2 C1 C8 121.4(8) . . ?
C2 C1 C10 122.6(7) . . ?
C8 C1 C10 116.0(7) . . ?
O5 C23 C24 127.2(7) . . ?
O5 C23 C22 114.9(7) . . ?
C24 C23 C22 118.0(7) . . ?
N3 C10 N2 107.7(6) . . ?
N3 C10 C1 127.8(6) . . ?
N2 C10 C1 124.4(6) . . ?
C25 C24 C23 120.8(7) . . ?
C25 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
C1 C2 C3 119.5(9) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 H2 120.2 . . ?
C4 C3 C2 120.0(10) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
O6 C25 C24 129.0(7) . . ?
O6 C25 C26 114.0(7) . . ?
C24 C25 C26 117.0(7) . . ?
F10 C26 F12 109.3(7) . . ?
F10 C26 F11 106.0(7) . . ?
F12 C26 F11 105.7(7) . . ?
F10 C26 C25 112.9(7) . . ?
F12 C26 C25 113.7(7) . . ?
F11 C26 C25 108.8(6) . . ?
O8 C30 C29 128.7(7) . . ?
O8 C30 C31 113.7(7) . . ?
C29 C30 C31 117.5(7) . . ?
O7 C28 C29 126.9(7) . . ?
O7 C28 C27 116.2(7) . . ?
C29 C28 C27 116.9(7) . . ?
N1 C8 C9 122.1(9) . . ?
N1 C8 C1 118.4(8) . . ?
C9 C8 C1 119.4(9) . . ?
O3 C18 C19 127.8(7) . . ?
O3 C18 C17 112.8(7) . . ?
C19 C18 C17 119.4(7) . . ?
C3 C4 C9 121.6(9) . . ?
C3 C4 H4 119.2 . . ?
C9 C4 H4 119.2 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
F3 C17 F1 106.9(10) . . ?
F3 C17 F2 105.6(10) . . ?
F1 C17 F2 94.3(9) . . ?
F3 C17 C18 118.5(8) . . ?
F1 C17 C18 113.4(8) . . ?
F2 C17 C18 115.1(8) . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
F7 C22 F9 108.2(8) . . ?
F7 C22 F8 106.4(8) . . ?
F9 C22 F8 104.2(7) . . ?
F7 C22 C23 114.0(7) . . ?
F9 C22 C23 114.2(7) . . ?
F8 C22 C23 109.3(7) . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C12 C16 H16A 109.5 . . ?
C12 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C12 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
F18 C31 F17 106.7(8) . . ?
F18 C31 F16 107.6(8) . . ?
F17 C31 F16 106.9(7) . . ?
F18 C31 C30 111.5(7) . . ?
F17 C31 C30 110.6(7) . . ?
F16 C31 C30 113.1(8) . . ?
C20 C19 C18 121.6(8) . . ?
C20 C19 H19 119.2 . . ?
C18 C19 H19 119.2 . . ?
N2 C11 C13 106.5(7) . . ?
N2 C11 C14 108.8(6) . . ?
C13 C11 C14 111.2(8) . . ?
N2 C11 C12 100.0(6) . . ?
C13 C11 C12 114.4(7) . . ?
C14 C11 C12 115.0(7) . . ?
C30 C29 C28 120.2(7) . . ?
C30 C29 H29 119.9 . . ?
C28 C29 H29 119.9 . . ?
F5 C21 F6 106.7(9) . . ?
F5 C21 F4 105.6(8) . . ?
F6 C21 F4 107.1(9) . . ?
F5 C21 C20 112.7(7) . . ?
F6 C21 C20 109.6(7) . . ?
F4 C21 C20 114.7(8) . . ?
F14 C27 F15 109.6(10) . . ?
F14 C27 F13 103.9(10) . . ?
F15 C27 F13 103.7(9) . . ?
F14 C27 C28 111.1(8) . . ?
F15 C27 C28 116.1(9) . . ?
F13 C27 C28 111.5(8) . . ?
O4 C20 C19 128.3(8) . . ?
O4 C20 C21 113.9(7) . . ?
C19 C20 C21 117.8(8) . . ?
C8 C9 C4 118.0(9) . . ?
C8 C9 C5 117.1(11) . . ?
C4 C9 C5 124.9(10) . . ?
C5 C6 C7 119.3(11) . . ?
C5 C6 H6 120.3 . . ?
C7 C6 H6 120.3 . . ?
N1 C7 C6 125.3(13) . . ?
N1 C7 H7 117.3 . . ?
C6 C7 H7 117.3 . . ?
O12 Dy2 O16 137.36(17) . . ?
O12 Dy2 O13 70.54(17) . . ?
O16 Dy2 O13 152.11(18) . . ?
O12 Dy2 O14 144.09(17) . . ?
O16 Dy2 O14 78.55(18) . . ?
O13 Dy2 O14 73.56(17) . . ?
O12 Dy2 O10 91.14(18) . . ?
O16 Dy2 O10 102.94(17) . . ?
O13 Dy2 O10 70.88(17) . . ?
O14 Dy2 O10 76.85(18) . . ?
O12 Dy2 O15 74.38(18) . . ?
O16 Dy2 O15 72.37(17) . . ?
O13 Dy2 O15 127.30(17) . . ?
O14 Dy2 O15 130.42(17) . . ?
O10 Dy2 O15 71.84(18) . . ?
O12 Dy2 O11 72.95(17) . . ?
O16 Dy2 O11 73.71(18) . . ?
O13 Dy2 O11 126.46(17) . . ?
O14 Dy2 O11 132.10(17) . . ?
O10 Dy2 O11 147.00(18) . . ?
O15 Dy2 O11 76.02(18) . . ?
O12 Dy2 O9 101.89(19) . 2_545 ?
O16 Dy2 O9 92.84(18) . 2_545 ?
O13 Dy2 O9 77.92(18) . 2_545 ?
O14 Dy2 O9 70.36(17) . 2_545 ?
O10 Dy2 O9 139.80(18) . 2_545 ?
O15 Dy2 O9 148.25(17) . 2_545 ?
O11 Dy2 O9 72.85(17) . 2_545 ?
C54 O13 Dy2 133.4(5) . . ?
C61 O16 Dy2 133.0(5) . . ?
C56 O14 Dy2 133.1(5) . . ?
C33 C32 C39 120.2(7) . . ?
C33 C32 C41 122.4(7) . . ?
C39 C32 C41 117.4(7) . . ?
C59 O15 Dy2 132.1(5) . . ?
C49 O11 Dy2 131.1(5) . . ?
C51 O12 Dy2 133.9(5) . . ?
N6 O10 Dy2 148.7(4) . . ?
O10 N6 C41 125.6(6) . . ?
O10 N6 C43 121.2(6) . . ?
C41 N6 C43 112.8(6) . . ?
O9 N5 C41 125.3(6) . . ?
O9 N5 C42 121.4(6) . . ?
C41 N5 C42 112.5(6) . . ?
N5 C41 N6 108.8(6) . . ?
N5 C41 C32 125.2(6) . . ?
N6 C41 C32 125.9(6) . . ?
N6 C43 C44 106.8(7) . . ?
N6 C43 C45 108.7(6) . . ?
C44 C43 C45 111.0(7) . . ?
N6 C43 C42 101.2(6) . . ?
C44 C43 C42 113.2(6) . . ?
C45 C43 C42 115.2(7) . . ?
O16 C61 C60 128.9(7) . . ?
O16 C61 C62 114.6(7) . . ?
C60 C61 C62 116.4(7) . . ?
N5 C42 C47 109.1(6) . . ?
N5 C42 C46 105.6(6) . . ?
C47 C42 C46 110.6(7) . . ?
N5 C42 C43 99.8(5) . . ?
C47 C42 C43 116.2(7) . . ?
C46 C42 C43 114.3(6) . . ?
O11 C49 C50 127.3(7) . . ?
O11 C49 C48 114.4(7) . . ?
C50 C49 C48 118.3(7) . . ?
F23 C52 F24 107.4(7) . . ?
F23 C52 F22 108.3(7) . . ?
F24 C52 F22 107.3(7) . . ?
F23 C52 C51 110.1(7) . . ?
F24 C52 C51 111.1(6) . . ?
F22 C52 C51 112.4(7) . . ?
F33 C58 F31 107.2(8) . . ?
F33 C58 F32 106.9(8) . . ?
F31 C58 F32 105.1(7) . . ?
F33 C58 C59 113.7(7) . . ?
F31 C58 C59 109.8(7) . . ?
F32 C58 C59 113.7(7) . . ?
O15 C59 C60 128.2(8) . . ?
O15 C59 C58 113.7(7) . . ?
C60 C59 C58 118.1(7) . . ?
F36 C62 F34 108.0(7) . . ?
F36 C62 F35 106.6(7) . . ?
F34 C62 F35 106.1(7) . . ?
F36 C62 C61 113.1(7) . . ?
F34 C62 C61 114.4(7) . . ?
F35 C62 C61 108.0(7) . . ?
C59 C60 C61 119.9(7) . . ?
C59 C60 H60 120.1 . . ?
C61 C60 H60 120.1 . . ?
N4 C39 C32 117.8(7) . . ?
N4 C39 C40 123.6(8) . . ?
C32 C39 C40 118.5(9) . . ?
O12 C51 C50 128.4(7) . . ?
O12 C51 C52 113.8(6) . . ?
C50 C51 C52 117.7(7) . . ?
C49 C50 C51 121.0(7) . . ?
C49 C50 H50 119.5 . . ?
C51 C50 H50 119.5 . . ?
C56 C55 C54 121.3(7) . . ?
C56 C55 H55 119.3 . . ?
C54 C55 H55 119.3 . . ?
C32 C33 C34 120.8(9) . . ?
C32 C33 H33 119.6 . . ?
C34 C33 H33 119.6 . . ?
F26 C53 F25 114.3(10) . . ?
F26 C53 F27 104.6(11) . . ?
F25 C53 F27 92.8(10) . . ?
F26 C53 C54 117.1(9) . . ?
F25 C53 C54 114.4(8) . . ?
F27 C53 C54 110.2(8) . . ?
C35 C34 C33 119.9(10) . . ?
C35 C34 H34 120.1 . . ?
C33 C34 H34 120.1 . . ?
F19 C48 F20 106.8(7) . . ?
F19 C48 F21 107.4(8) . . ?
F20 C48 F21 106.3(7) . . ?
F19 C48 C49 112.8(7) . . ?
F20 C48 C49 110.4(7) . . ?
F21 C48 C49 112.7(7) . . ?
C35 C40 C36 124.4(11) . . ?
C35 C40 C39 119.0(9) . . ?
C36 C40 C39 116.5(11) . . ?
F29 C57 F28 108.8(8) . . ?
F29 C57 F30 107.5(9) . . ?
F28 C57 F30 106.7(8) . . ?
F29 C57 C56 110.0(7) . . ?
F28 C57 C56 112.9(8) . . ?
F30 C57 C56 110.8(7) . . ?
O14 C56 C55 129.1(8) . . ?
O14 C56 C57 112.9(7) . . ?
C55 C56 C57 118.0(7) . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O13 C54 C55 127.9(7) . . ?
O13 C54 C53 115.8(7) . . ?
C55 C54 C53 116.3(7) . . ?
C34 C35 C40 121.5(9) . . ?
C34 C35 H35 119.2 . . ?
C40 C35 H35 119.2 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
N5 O9 Dy2 137.6(4) . 2 ?
N3 O2 Dy1 147.9(5) . 2_645 ?
C38 N4 C39 117.7(10) . . ?
C42 C46 H46A 109.5 . . ?
C42 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C42 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C6 C5 C9 118.7(11) . . ?
C6 C5 H5 120.6 . . ?
C9 C5 H5 120.6 . . ?
C42 C47 H47A 109.5 . . ?
C42 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C42 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
N4 C38 C37 124.8(14) . . ?
N4 C38 H38 117.6 . . ?
C37 C38 H38 117.6 . . ?
C37 C36 C40 119.5(11) . . ?
C37 C36 H36 120.2 . . ?
C40 C36 H36 120.2 . . ?
C38 C37 C36 117.9(11) . . ?
C38 C37 H37 121.1 . . ?
C36 C37 H37 121.1 . . ?

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
C10 N2 O1 Dy1 80.7(9) . . . . ?
C11 N2 O1 Dy1 -110.4(8) . . . . ?
O2 N3 C12 C16 49.1(10) . . . . ?
C10 N3 C12 C16 -139.8(7) . . . . ?
O2 N3 C12 C15 -70.3(8) . . . . ?
C10 N3 C12 C15 100.8(8) . . . . ?
O2 N3 C12 C11 171.0(6) . . . . ?
C10 N3 C12 C11 -18.0(8) . . . . ?
Dy1 O5 C23 C24 18.8(11) . . . . ?
Dy1 O5 C23 C22 -160.2(5) . . . . ?
O2 N3 C10 N2 173.0(6) . . . . ?
C12 N3 C10 N2 2.3(9) . . . . ?
O2 N3 C10 C1 -8.7(13) . . . . ?
C12 N3 C10 C1 -179.4(7) . . . . ?
O1 N2 C10 N3 -174.3(6) . . . . ?
C11 N2 C10 N3 15.8(9) . . . . ?
O1 N2 C10 C1 7.4(12) . . . . ?
C11 N2 C10 C1 -162.5(7) . . . . ?
C2 C1 C10 N3 60.2(11) . . . . ?
C8 C1 C10 N3 -119.9(9) . . . . ?
C2 C1 C10 N2 -121.8(8) . . . . ?
C8 C1 C10 N2 58.2(10) . . . . ?
O5 C23 C24 C25 -4.5(12) . . . . ?
C22 C23 C24 C25 174.5(7) . . . . ?
C8 C1 C2 C3 -2.1(11) . . . . ?
C10 C1 C2 C3 177.8(7) . . . . ?
C1 C2 C3 C4 -0.6(13) . . . . ?
Dy1 O6 C25 C24 -17.6(12) . . . . ?
Dy1 O6 C25 C26 161.2(5) . . . . ?
C23 C24 C25 O6 3.5(12) . . . . ?
C23 C24 C25 C26 -175.2(7) . . . . ?
O6 C25 C26 F10 35.1(9) . . . . ?
C24 C25 C26 F10 -146.0(7) . . . . ?
O6 C25 C26 F12 160.4(7) . . . . ?
C24 C25 C26 F12 -20.7(10) . . . . ?
O6 C25 C26 F11 -82.2(9) . . . . ?
C24 C25 C26 F11 96.7(8) . . . . ?
Dy1 O8 C30 C29 21.4(12) . . . . ?
Dy1 O8 C30 C31 -160.6(5) . . . . ?
Dy1 O7 C28 C29 -11.1(13) . . . . ?
Dy1 O7 C28 C27 167.3(5) . . . . ?
C7 N1 C8 C9 1.3(13) . . . . ?
C7 N1 C8 C1 178.8(8) . . . . ?
C2 C1 C8 N1 -175.0(7) . . . . ?
C10 C1 C8 N1 5.0(10) . . . . ?
C2 C1 C8 C9 2.5(11) . . . . ?
C10 C1 C8 C9 -177.4(7) . . . . ?
Dy1 O3 C18 C19 17.2(13) . . . . ?
Dy1 O3 C18 C17 -162.8(5) . . . . ?
C2 C3 C4 C9 2.9(14) . . . . ?
O3 C18 C17 F3 -68.3(12) . . . . ?
C19 C18 C17 F3 111.7(12) . . . . ?
O3 C18 C17 F1 58.3(11) . . . . ?
C19 C18 C17 F1 -121.7(11) . . . . ?
O3 C18 C17 F2 165.3(10) . . . . ?
C19 C18 C17 F2 -14.7(14) . . . . ?
O5 C23 C22 F7 -25.1(11) . . . . ?
C24 C23 C22 F7 155.7(8) . . . . ?
O5 C23 C22 F9 -150.2(7) . . . . ?
C24 C23 C22 F9 30.7(11) . . . . ?
O5 C23 C22 F8 93.7(8) . . . . ?
C24 C23 C22 F8 -85.4(9) . . . . ?
O8 C30 C31 F18 48.0(10) . . . . ?
C29 C30 C31 F18 -133.7(8) . . . . ?
O8 C30 C31 F17 -70.5(9) . . . . ?
C29 C30 C31 F17 107.7(9) . . . . ?
O8 C30 C31 F16 169.5(7) . . . . ?
C29 C30 C31 F16 -12.2(11) . . . . ?
O3 C18 C19 C20 -5.7(15) . . . . ?
C17 C18 C19 C20 174.2(8) . . . . ?
O1 N2 C11 C13 -77.1(8) . . . . ?
C10 N2 C11 C13 93.2(8) . . . . ?
O1 N2 C11 C14 42.8(10) . . . . ?
C10 N2 C11 C14 -146.9(7) . . . . ?
O1 N2 C11 C12 163.6(6) . . . . ?
C10 N2 C11 C12 -26.1(8) . . . . ?
N3 C12 C11 N2 23.9(7) . . . . ?
C16 C12 C11 N2 139.6(7) . . . . ?
C15 C12 C11 N2 -88.9(8) . . . . ?
N3 C12 C11 C13 -89.4(8) . . . . ?
C16 C12 C11 C13 26.3(10) . . . . ?
C15 C12 C11 C13 157.8(8) . . . . ?
N3 C12 C11 C14 140.2(7) . . . . ?
C16 C12 C11 C14 -104.1(8) . . . . ?
C15 C12 C11 C14 27.4(10) . . . . ?
O8 C30 C29 C28 0.7(13) . . . . ?
C31 C30 C29 C28 -177.2(7) . . . . ?
O7 C28 C29 C30 -6.7(13) . . . . ?
C27 C28 C29 C30 174.9(7) . . . . ?
O7 C28 C27 F14 -74.7(12) . . . . ?
C29 C28 C27 F14 103.9(11) . . . . ?
O7 C28 C27 F15 159.2(9) . . . . ?
C29 C28 C27 F15 -22.2(12) . . . . ?
O7 C28 C27 F13 40.7(11) . . . . ?
C29 C28 C27 F13 -140.7(9) . . . . ?
Dy1 O4 C20 C19 9.0(12) . . . . ?
Dy1 O4 C20 C21 -173.0(5) . . . . ?
C18 C19 C20 O4 -7.6(15) . . . . ?
C18 C19 C20 C21 174.4(8) . . . . ?
F5 C21 C20 O4 -52.8(10) . . . . ?
F6 C21 C20 O4 65.8(10) . . . . ?
F4 C21 C20 O4 -173.6(8) . . . . ?
F5 C21 C20 C19 125.5(9) . . . . ?
F6 C21 C20 C19 -115.9(10) . . . . ?
F4 C21 C20 C19 4.6(12) . . . . ?
N1 C8 C9 C4 177.2(8) . . . . ?
C1 C8 C9 C4 -0.3(12) . . . . ?
N1 C8 C9 C5 -1.7(13) . . . . ?
C1 C8 C9 C5 -179.2(8) . . . . ?
C3 C4 C9 C8 -2.4(14) . . . . ?
C3 C4 C9 C5 176.4(9) . . . . ?
C8 N1 C7 C6 -0.5(15) . . . . ?
C5 C6 C7 N1 0.0(18) . . . . ?
Dy2 O10 N6 C41 69.3(11) . . . . ?
Dy2 O10 N6 C43 -119.0(8) . . . . ?
O9 N5 C41 N6 -175.3(6) . . . . ?
C42 N5 C41 N6 14.6(9) . . . . ?
O9 N5 C41 C32 5.7(12) . . . . ?
C42 N5 C41 C32 -164.4(7) . . . . ?
O10 N6 C41 N5 172.6(6) . . . . ?
C43 N6 C41 N5 0.3(9) . . . . ?
O10 N6 C41 C32 -8.4(12) . . . . ?
C43 N6 C41 C32 179.3(7) . . . . ?
C33 C32 C41 N5 -122.0(8) . . . . ?
C39 C32 C41 N5 61.0(10) . . . . ?
C33 C32 C41 N6 59.2(11) . . . . ?
C39 C32 C41 N6 -117.8(8) . . . . ?
O10 N6 C43 C44 -67.8(8) . . . . ?
C41 N6 C43 C44 104.9(7) . . . . ?
O10 N6 C43 C45 52.0(9) . . . . ?
C41 N6 C43 C45 -135.3(7) . . . . ?
O10 N6 C43 C42 173.6(6) . . . . ?
C41 N6 C43 C42 -13.7(8) . . . . ?
Dy2 O16 C61 C60 -21.5(12) . . . . ?
Dy2 O16 C61 C62 156.9(5) . . . . ?
O9 N5 C42 C47 45.1(10) . . . . ?
C41 N5 C42 C47 -144.3(7) . . . . ?
O9 N5 C42 C46 -73.7(8) . . . . ?
C41 N5 C42 C46 96.8(7) . . . . ?
O9 N5 C42 C43 167.5(6) . . . . ?
C41 N5 C42 C43 -22.0(8) . . . . ?
N6 C43 C42 N5 19.4(7) . . . . ?
C44 C43 C42 N5 -94.5(7) . . . . ?
C45 C43 C42 N5 136.4(7) . . . . ?
N6 C43 C42 C47 136.5(7) . . . . ?
C44 C43 C42 C47 22.6(10) . . . . ?
C45 C43 C42 C47 -106.5(8) . . . . ?
N6 C43 C42 C46 -92.8(7) . . . . ?
C44 C43 C42 C46 153.3(7) . . . . ?
C45 C43 C42 C46 24.2(10) . . . . ?
Dy2 O11 C49 C50 20.0(11) . . . . ?
Dy2 O11 C49 C48 -162.7(5) . . . . ?
Dy2 O15 C59 C60 17.8(12) . . . . ?
Dy2 O15 C59 C58 -161.5(5) . . . . ?
F33 C58 C59 O15 -39.9(10) . . . . ?
F31 C58 C59 O15 80.2(9) . . . . ?
F32 C58 C59 O15 -162.5(7) . . . . ?
F33 C58 C59 C60 140.7(8) . . . . ?
F31 C58 C59 C60 -99.2(9) . . . . ?
F32 C58 C59 C60 18.1(11) . . . . ?
O16 C61 C62 F36 29.8(10) . . . . ?
C60 C61 C62 F36 -151.5(8) . . . . ?
O16 C61 C62 F34 154.1(7) . . . . ?
C60 C61 C62 F34 -27.3(11) . . . . ?
O16 C61 C62 F35 -88.0(9) . . . . ?
C60 C61 C62 F35 90.7(9) . . . . ?
O15 C59 C60 C61 -1.2(13) . . . . ?
C58 C59 C60 C61 178.2(7) . . . . ?
O16 C61 C60 C59 2.7(13) . . . . ?
C62 C61 C60 C59 -175.7(7) . . . . ?
C33 C32 C39 N4 -174.1(7) . . . . ?
C41 C32 C39 N4 2.9(10) . . . . ?
C33 C32 C39 C40 2.8(11) . . . . ?
C41 C32 C39 C40 179.8(7) . . . . ?
Dy2 O12 C51 C50 -11.0(12) . . . . ?
Dy2 O12 C51 C52 166.7(5) . . . . ?
F23 C52 C51 O12 -85.2(9) . . . . ?
F24 C52 C51 O12 33.7(10) . . . . ?
F22 C52 C51 O12 153.9(7) . . . . ?
F23 C52 C51 C50 92.7(9) . . . . ?
F24 C52 C51 C50 -148.4(7) . . . . ?
F22 C52 C51 C50 -28.2(10) . . . . ?
O11 C49 C50 C51 1.7(12) . . . . ?
C48 C49 C50 C51 -175.5(7) . . . . ?
O12 C51 C50 C49 -6.9(13) . . . . ?
C52 C51 C50 C49 175.5(7) . . . . ?
C39 C32 C33 C34 -2.5(11) . . . . ?
C41 C32 C33 C34 -179.4(7) . . . . ?
C32 C33 C34 C35 1.1(13) . . . . ?
O11 C49 C48 F19 36.3(10) . . . . ?
C50 C49 C48 F19 -146.1(8) . . . . ?
O11 C49 C48 F20 -83.2(9) . . . . ?
C50 C49 C48 F20 94.4(9) . . . . ?
O11 C49 C48 F21 158.1(7) . . . . ?
C50 C49 C48 F21 -24.3(11) . . . . ?
N4 C39 C40 C35 175.0(8) . . . . ?
C32 C39 C40 C35 -1.7(12) . . . . ?
N4 C39 C40 C36 -1.9(13) . . . . ?
C32 C39 C40 C36 -178.6(8) . . . . ?
Dy2 O14 C56 C55 7.3(13) . . . . ?
Dy2 O14 C56 C57 -172.5(5) . . . . ?
C54 C55 C56 O14 -3.8(14) . . . . ?
C54 C55 C56 C57 176.0(8) . . . . ?
F29 C57 C56 O14 58.0(10) . . . . ?
F28 C57 C56 O14 179.7(7) . . . . ?
F30 C57 C56 O14 -60.7(10) . . . . ?
F29 C57 C56 C55 -121.8(9) . . . . ?
F28 C57 C56 C55 -0.1(12) . . . . ?
F30 C57 C56 C55 119.5(9) . . . . ?
Dy2 O13 C54 C55 16.5(13) . . . . ?
Dy2 O13 C54 C53 -164.1(5) . . . . ?
C56 C55 C54 O13 -8.5(14) . . . . ?
C56 C55 C54 C53 172.2(8) . . . . ?
F26 C53 C54 O13 -87.1(13) . . . . ?
F25 C53 C54 O13 135.2(10) . . . . ?
F27 C53 C54 O13 32.2(12) . . . . ?
F26 C53 C54 C55 92.3(13) . . . . ?
F25 C53 C54 C55 -45.4(12) . . . . ?
F27 C53 C54 C55 -148.4(10) . . . . ?
C33 C34 C35 C40 0.0(15) . . . . ?
C36 C40 C35 C34 177.0(10) . . . . ?
C39 C40 C35 C34 0.3(14) . . . . ?
C41 N5 O9 Dy2 81.2(9) . . . 2 ?
C42 N5 O9 Dy2 -109.5(7) . . . 2 ?
C10 N3 O2 Dy1 78.2(11) . . . 2_645 ?
C12 N3 O2 Dy1 -112.0(9) . . . 2_645 ?
C32 C39 N4 C38 178.2(8) . . . . ?
C40 C39 N4 C38 1.5(12) . . . . ?
C7 C6 C5 C9 -0.5(17) . . . . ?
C8 C9 C5 C6 1.3(15) . . . . ?
C4 C9 C5 C6 -177.6(10) . . . . ?
C39 N4 C38 C37 -1.4(15) . . . . ?
C35 C40 C36 C37 -174.6(11) . . . . ?
C39 C40 C36 C37 2.2(15) . . . . ?
N4 C38 C37 C36 1.7(19) . . . . ?
C40 C36 C37 C38 -2.1(18) . . . . ?

_refine_diff_density_max         3.454
_refine_diff_density_min         -2.073
_refine_diff_density_rms         0.166



####################################################################### 
# 
# 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_complex2
_database_code_depnum_ccdc_archive 'CCDC 2024374'
loop_
_audit_author_name
_audit_author_address
'Hongdao Li' 'Taiyuan Institute of Technology'
_audit_update_record             
;
2020-08-20 deposited with the CCDC.	2020-11-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C62 H42 F36 N6 O16 Tb2'
_chemical_formula_sum            'C62 H42 F36 N6 O16 Tb2'
_chemical_formula_weight         2128.85

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'
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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   22.868(5)
_cell_length_b                   16.664(3)
_cell_length_c                   22.826(5)
_cell_angle_alpha                90
_cell_angle_beta                 117.20(3)
_cell_angle_gamma                90
_cell_volume                     7736(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    17589
_cell_measurement_theta_min      2.39
_cell_measurement_theta_max      26.40

_exptl_crystal_description       block
_exptl_crystal_colour            pink
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.828
_exptl_crystal_F_000             4152
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.17
_exptl_absorpt_coefficient_mu    1.966
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.0101
_exptl_absorpt_correction_T_max  0.0269
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            78446
_diffrn_reflns_av_unetI/netI     0.0547
_diffrn_reflns_av_R_equivalents  0.0789
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.890
_diffrn_reflns_theta_max         25.906
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measured_fraction_theta_full 0.960
_diffrn_reflns_Laue_measured_fraction_max 0.952
_diffrn_reflns_Laue_measured_fraction_full 0.960
_diffrn_reflns_point_group_measured_fraction_max 0.952
_diffrn_reflns_point_group_measured_fraction_full 0.960
_reflns_number_total             14336
_reflns_number_gt                9937
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²+50.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14336
_refine_ls_number_parameters     1107
_refine_ls_number_restraints     51
_refine_ls_R_factor_all          0.1075
_refine_ls_R_factor_gt           0.0729
_refine_ls_wR_factor_ref         0.2062
_refine_ls_wR_factor_gt          0.1822
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.094
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Tb1 Tb 0.50900(2) 0.11940(3) 0.23852(2) 0.03705(14) Uani 1 1 d . . . . .
O8 O 0.6219(3) 0.1259(4) 0.3132(3) 0.0446(16) Uani 1 1 d . . . . .
O6 O 0.5691(3) 0.1631(4) 0.1834(3) 0.0456(16) Uani 1 1 d . . . . .
O1 O 0.5097(3) 0.2276(4) 0.3068(3) 0.0478(16) Uani 1 1 d . . . . .
O3 O 0.3993(3) 0.0906(4) 0.2120(3) 0.0428(15) Uani 1 1 d . . . . .
F17 F 0.2888(3) 0.0669(4) 0.2208(4) 0.0699(19) Uani 1 1 d . . . . .
O7 O 0.5201(3) 0.0747(4) 0.3424(3) 0.0451(16) Uani 1 1 d . . . . .
N2 N 0.4808(4) 0.2961(5) 0.2992(4) 0.0416(18) Uani 1 1 d . . . . .
O5 O 0.4468(3) 0.2229(4) 0.1632(3) 0.0454(16) Uani 1 1 d . . . . .
F18 F 0.2674(3) 0.1663(4) 0.1548(4) 0.074(2) Uani 1 1 d . . . . .
F10 F 0.3844(4) 0.3660(4) 0.0925(4) 0.074(2) Uani 1 1 d . . . . .
O4 O 0.4595(3) 0.0568(4) 0.1324(3) 0.0462(16) Uani 1 1 d . . . . .
F13 F 0.3822(5) 0.0982(5) -0.0124(4) 0.099(3) Uani 1 1 d . . . . .
F16 F 0.2332(3) 0.0503(5) 0.1159(4) 0.078(2) Uani 1 1 d . . . . .
F15 F 0.3392(4) -0.0148(5) -0.0153(4) 0.082(2) Uani 1 1 d . . . . .
F1 F 0.5114(4) -0.0194(5) 0.4373(4) 0.089(3) Uani 1 1 d . . . . .
N1 N 0.6180(5) 0.3416(6) 0.3829(5) 0.062(2) Uani 1 1 d . . . . .
C10 C 0.4971(5) 0.3627(6) 0.2782(5) 0.040(2) Uani 1 1 d . . . . .
C18 C 0.4476(5) 0.2487(6) 0.1110(5) 0.043(2) Uani 1 1 d . . . . .
C1 C 0.5562(5) 0.3727(6) 0.2687(5) 0.044(2) Uani 1 1 d . . . . .
C27 C 0.5501(7) 0.0430(8) 0.4523(6) 0.064(3) Uani 1 1 d . . . . .
C26 C 0.3914(6) 0.0286(7) 0.0194(5) 0.055(3) Uani 1 1 d . . . . .
C29 C 0.6352(6) 0.0713(7) 0.4149(5) 0.058(3) Uani 1 1 d . . . . .
H29 H 0.6664 0.0559 0.4568 0.069 Uiso 1 1 calc R U . . .
C24 C 0.3443(5) 0.0539(6) 0.0982(5) 0.048(2) Uani 1 1 d . . . . .
H24 H 0.3034 0.0434 0.0630 0.058 Uiso 1 1 calc R U . . .
C4 C 0.6704(7) 0.3827(8) 0.2554(9) 0.076(4) Uani 1 1 d . . . . .
H4 H 0.7082 0.3850 0.2499 0.091 Uiso 1 1 calc R U . . .
C15 C 0.3861(6) 0.2379(7) 0.3088(7) 0.065(3) Uani 1 1 d . . . . .
H15A H 0.3652 0.2284 0.2621 0.098 Uiso 1 1 calc R U . . .
H15B H 0.3532 0.2483 0.3229 0.098 Uiso 1 1 calc R U . . .
H15C H 0.4111 0.1915 0.3313 0.098 Uiso 1 1 calc R U . . .
F14 F 0.4420(4) -0.0055(6) 0.0192(3) 0.094(3) Uani 1 1 d . . . . .
F11 F 0.3307(3) 0.2584(5) 0.0586(4) 0.089(3) Uani 1 1 d . . . . .
F3 F 0.5178(6) 0.1041(5) 0.4621(5) 0.113(3) Uani 1 1 d . . . . .
C31 C 0.7298(6) 0.0968(8) 0.3902(6) 0.062(3) Uani 1 1 d . U . . .
F2 F 0.6000(4) 0.0294(7) 0.5100(4) 0.116(4) Uani 1 1 d . . . . .
C20 C 0.5552(5) 0.1991(6) 0.1312(5) 0.046(2) Uani 1 1 d . . . . .
C9 C 0.6172(5) 0.3572(6) 0.3242(6) 0.052(3) Uani 1 1 d . . . . .
C25 C 0.4008(5) 0.0468(6) 0.0893(5) 0.047(2) Uani 1 1 d . . . . .
C7 C 0.6755(7) 0.3294(8) 0.4349(7) 0.077(4) Uani 1 1 d . . . . .
H7 H 0.6759 0.3194 0.4751 0.092 Uiso 1 1 calc R U . . .
C30 C 0.6563(5) 0.0997(6) 0.3697(5) 0.046(2) Uani 1 1 d . . . . .
C3 C 0.6122(7) 0.3994(7) 0.2040(7) 0.070(4) Uani 1 1 d . . . . .
H3 H 0.6106 0.4139 0.1640 0.085 Uiso 1 1 calc R U . . .
C17 C 0.3844(6) 0.2952(7) 0.0660(6) 0.056(3) Uani 1 1 d . . . . .
C23 C 0.3482(5) 0.0761(6) 0.1584(5) 0.042(2) Uani 1 1 d . . . . .
F4 F 0.7558(4) 0.1599(7) 0.3936(7) 0.135(4) Uani 1 1 d . U . . .
C5 C 0.7357(6) 0.3468(9) 0.3772(10) 0.086(5) Uani 1 1 d . . . . .
H5 H 0.7757 0.3488 0.3759 0.104 Uiso 1 1 calc R U . . .
C22 C 0.2843(5) 0.0886(7) 0.1633(6) 0.056(3) Uani 1 1 d . . . . .
C2 C 0.5521(5) 0.3955(6) 0.2098(6) 0.049(2) Uani 1 1 d . . . . .
H2 H 0.5119 0.4081 0.1744 0.059 Uiso 1 1 calc R U . . .
C11 C 0.4315(5) 0.3098(6) 0.3246(5) 0.050(2) Uani 1 1 d . . . . .
F12 F 0.3799(4) 0.3106(5) 0.0068(3) 0.087(2) Uani 1 1 d . . . . .
C28 C 0.5689(6) 0.0659(6) 0.3986(5) 0.050(2) Uani 1 1 d . . . . .
C6 C 0.7349(7) 0.3308(9) 0.4328(9) 0.091(5) Uani 1 1 d . . . . .
H6 H 0.7739 0.3204 0.4705 0.109 Uiso 1 1 calc R U . . .
C16 C 0.4704(7) 0.3220(8) 0.3990(6) 0.069(3) Uani 1 1 d . . . . .
H16A H 0.4953 0.2746 0.4189 0.103 Uiso 1 1 calc R U . . .
H16B H 0.4405 0.3325 0.4170 0.103 Uiso 1 1 calc R U . . .
H16C H 0.4996 0.3668 0.4079 0.103 Uiso 1 1 calc R U . . .
F9 F 0.6037(5) 0.2558(7) 0.0683(5) 0.134(4) Uani 1 1 d . U . . .
C8 C 0.6761(6) 0.3614(7) 0.3182(8) 0.072(4) Uani 1 1 d . . . . .
C19 C 0.4955(5) 0.2392(6) 0.0908(5) 0.051(3) Uani 1 1 d . . . . .
H19 H 0.4886 0.2594 0.0502 0.062 Uiso 1 1 calc R U . . .
F5 F 0.7418(5) 0.0539(8) 0.3488(7) 0.153(4) Uani 1 1 d . U . . .
F7 F 0.6671(4) 0.2077(8) 0.1571(5) 0.138(5) Uani 1 1 d . . . . .
C21 C 0.6083(7) 0.1995(8) 0.1083(7) 0.066(3) Uani 1 1 d . . . . .
F8 F 0.6089(6) 0.1327(8) 0.0818(7) 0.155(4) Uani 1 1 d . U . . .
F6 F 0.7652(6) 0.0564(9) 0.4405(7) 0.167(5) Uani 1 1 d . U . . .
Tb2 Tb 0.00115(2) 0.85839(3) 0.24116(2) 0.03727(15) Uani 1 1 d . . . . .
O15 O 0.0154(3) 0.8102(4) 0.3443(3) 0.0409(15) Uani 1 1 d . . . . .
O16 O 0.1145(3) 0.8673(4) 0.3134(3) 0.0428(15) Uani 1 1 d . . . . .
O13 O 0.0558(3) 0.9093(4) 0.1848(3) 0.0455(16) Uani 1 1 d . . . . .
O11 O -0.1074(3) 0.8257(4) 0.2175(3) 0.0453(16) Uani 1 1 d . . . . .
O9 O 0.0049(4) 0.9685(4) 0.3098(3) 0.0502(17) Uani 1 1 d . . . . .
O14 O -0.0668(3) 0.9602(4) 0.1703(3) 0.0452(16) Uani 1 1 d . . . . .
F30 F -0.1277(4) 1.1103(4) 0.0991(4) 0.081(2) Uani 1 1 d . . . . .
O12 O -0.0495(3) 0.7960(4) 0.1353(3) 0.0459(16) Uani 1 1 d . . . . .
N5 N -0.0232(4) 1.0372(5) 0.3034(4) 0.0421(18) Uani 1 1 d . . . . .
F23 F -0.2398(4) 0.9061(4) 0.1575(4) 0.084(2) Uani 1 1 d . . . . .
F24 F -0.2171(3) 0.8094(5) 0.2275(4) 0.079(2) Uani 1 1 d . . . . .
F36 F 0.0159(5) 0.7088(5) 0.4412(4) 0.093(3) Uani 1 1 d . . . . .
F27 F 0.0853(4) 0.8900(5) 0.0715(4) 0.090(3) Uani 1 1 d . . . . .
F26 F 0.0836(3) 1.0176(4) 0.0711(3) 0.0672(18) Uani 1 1 d . . . . .
F22 F -0.2735(3) 0.7875(5) 0.1237(4) 0.088(2) Uani 1 1 d . . . . .
F25 F 0.1506(3) 0.9538(5) 0.1565(4) 0.077(2) Uani 1 1 d . . . . .
C52 C 0.0476(6) 0.7782(7) 0.4554(5) 0.057(3) Uani 1 1 d . . . . .
C59 C -0.1587(5) 0.8144(6) 0.1640(5) 0.044(2) Uani 1 1 d . . . . .
F34 F 0.0994(5) 0.7710(6) 0.5130(3) 0.111(3) Uani 1 1 d . . . . .
C41 C -0.0062(4) 1.1035(5) 0.2811(4) 0.039(2) Uani 1 1 d . . . . .
F19 F -0.1133(6) 0.8347(5) -0.0064(4) 0.114(4) Uani 1 1 d . . . . .
F29 F -0.1848(3) 1.0048(5) 0.0771(4) 0.089(3) Uani 1 1 d . . . . .
C56 C 0.0384(5) 0.9489(6) 0.1330(5) 0.044(2) Uani 1 1 d . . . . .
C43 C -0.0734(5) 1.0530(6) 0.3272(5) 0.047(2) Uani 1 1 d . . . . .
C61 C -0.1086(5) 0.7876(6) 0.0927(5) 0.048(2) Uani 1 1 d . . . . .
F35 F 0.0068(5) 0.8310(6) 0.4599(4) 0.106(3) Uani 1 1 d . . . . .
C62 C -0.1182(5) 0.7697(7) 0.0232(5) 0.052(3) Uani 1 1 d . . . . .
C60 C -0.1640(5) 0.7959(6) 0.1018(5) 0.049(2) Uani 1 1 d . . . . .
H60 H -0.2053 0.7892 0.0662 0.058 Uiso 1 1 calc R U . . .
F20 F -0.1764(4) 0.7383(6) -0.0165(4) 0.097(3) Uani 1 1 d . . . . .
C58 C -0.2230(5) 0.8278(7) 0.1680(6) 0.056(3) Uani 1 1 d . . . . .
C55 C -0.0224(5) 0.9861(6) 0.0955(5) 0.050(2) Uani 1 1 d . . . . .
H55 H -0.0309 1.0084 0.0550 0.060 Uiso 1 1 calc R U . . .
C34 C 0.1018(7) 1.1423(7) 0.2006(7) 0.067(4) Uani 1 1 d . . . . .
H34 H 0.0983 1.1577 0.1599 0.080 Uiso 1 1 calc R U . . .
C54 C -0.0705(5) 0.9906(6) 0.1169(5) 0.045(2) Uani 1 1 d . . . . .
N4 N 0.1176(5) 1.0839(6) 0.3856(5) 0.065(3) Uani 1 1 d . . . . .
F21 F -0.0751(4) 0.7196(6) 0.0222(4) 0.105(3) Uani 1 1 d . . . . .
C32 C 0.0517(5) 1.1121(6) 0.2694(5) 0.044(2) Uani 1 1 d . . . . .
C40 C 0.1149(5) 1.0979(6) 0.3249(6) 0.052(3) Uani 1 1 d . . . . .
C49 C 0.1491(5) 0.8426(6) 0.3707(5) 0.045(2) Uani 1 1 d . . . . .
C33 C 0.0455(6) 1.1350(6) 0.2095(6) 0.051(3) Uani 1 1 d . . . . .
H33 H 0.0042 1.1456 0.1749 0.061 Uiso 1 1 calc R U . . .
C57 C 0.0901(6) 0.9522(7) 0.1078(6) 0.056(3) Uani 1 1 d . . . . .
F28 F -0.1452(4) 1.0429(6) 0.0139(4) 0.097(3) Uani 1 1 d . . . . .
C48 C 0.2240(6) 0.8421(8) 0.3916(7) 0.061(3) Uani 1 1 d . . . . .
C51 C 0.0658(5) 0.8041(6) 0.3996(5) 0.045(2) Uani 1 1 d . . . . .
C45 C -0.1210(6) 0.9830(7) 0.3100(7) 0.068(4) Uani 1 1 d . . . . .
H45A H -0.1401 0.9728 0.2635 0.103 Uiso 1 1 calc R U . . .
H45B H -0.1551 0.9958 0.3219 0.103 Uiso 1 1 calc R U . . .
H45C H -0.0977 0.9361 0.3336 0.103 Uiso 1 1 calc R U . . .
C38 C 0.1759(7) 1.0726(9) 0.4351(8) 0.092(5) Uani 1 1 d . . . . .
H38 H 0.1785 1.0603 0.4760 0.110 Uiso 1 1 calc R U . . .
C35 C 0.1627(8) 1.1265(8) 0.2526(10) 0.087(5) Uani 1 1 d . . . . .
H35 H 0.1996 1.1302 0.2456 0.104 Uiso 1 1 calc R U . . .
C39 C 0.1712(6) 1.1055(7) 0.3143(8) 0.067(4) Uani 1 1 d . . . . .
C50 C 0.1304(6) 0.8142(7) 0.4158(5) 0.057(3) Uani 1 1 d . . . . .
H50 H 0.1623 0.8015 0.4581 0.068 Uiso 1 1 calc R U . . .
C53 C -0.1329(5) 1.0362(7) 0.0757(5) 0.050(2) Uani 1 1 d . . . . .
F31 F 0.2519(5) 0.7791(8) 0.4163(7) 0.151(4) Uani 1 1 d . U . . .
C37 C 0.2346(8) 1.0778(10) 0.4303(11) 0.110(7) Uani 1 1 d . . . . .
H37 H 0.2747 1.0700 0.4674 0.132 Uiso 1 1 calc R U . . .
F33 F 0.2357(7) 0.8343(12) 0.3412(8) 0.190(6) Uani 1 1 d . U . . .
C44 C -0.0314(6) 1.0581(7) 0.4030(5) 0.065(3) Uani 1 1 d . . . . .
H44A H -0.0070 1.0092 0.4189 0.098 Uiso 1 1 calc R U . . .
H44B H -0.0598 1.0658 0.4232 0.098 Uiso 1 1 calc R U . . .
H44C H -0.0015 1.1025 0.4137 0.098 Uiso 1 1 calc R U . . .
C36 C 0.2328(6) 1.0945(9) 0.3702(10) 0.097(6) Uani 1 1 d . . . . .
H36 H 0.2716 1.0986 0.3665 0.116 Uiso 1 1 calc R U . . .
F32 F 0.2518(6) 0.9018(8) 0.4132(8) 0.175(5) Uani 1 1 d . U . . .
C12 C 0.3976(5) 0.3878(6) 0.2849(6) 0.051(3) Uani 1 1 d . . . . .
C42 C -0.1019(5) 1.1348(6) 0.2929(5) 0.047(2) Uani 1 1 d . . . . .
C47 C -0.1651(6) 1.1243(7) 0.2270(6) 0.064(3) Uani 1 1 d . . . . .
H47A H -0.1586 1.0822 0.2018 0.097 Uiso 1 1 calc R U . . .
H47B H -0.1747 1.1736 0.2025 0.097 Uiso 1 1 calc R U . . .
H47C H -0.2012 1.1107 0.2357 0.097 Uiso 1 1 calc R U . . .
C13 C 0.3403(6) 0.3706(7) 0.2194(7) 0.067(3) Uani 1 1 d . . . . .
H13A H 0.3538 0.3347 0.1949 0.100 Uiso 1 1 calc R U . . .
H13B H 0.3248 0.4198 0.1954 0.100 Uiso 1 1 calc R U . . .
H13C H 0.3057 0.3463 0.2259 0.100 Uiso 1 1 calc R U . . .
C14 C 0.3827(6) 0.4514(7) 0.3238(6) 0.064(3) Uani 1 1 d . . . . .
H14A H 0.3544 0.4292 0.3404 0.095 Uiso 1 1 calc R U . . .
H14B H 0.3613 0.4962 0.2957 0.095 Uiso 1 1 calc R U . . .
H14C H 0.4230 0.4690 0.3601 0.095 Uiso 1 1 calc R U . . .
C46 C -0.1122(7) 1.1982(7) 0.3346(7) 0.069(4) Uani 1 1 d . . . . .
H46A H -0.1382 1.1763 0.3540 0.103 Uiso 1 1 calc R U . . .
H46B H -0.1346 1.2433 0.3076 0.103 Uiso 1 1 calc R U . . .
H46C H -0.0703 1.2151 0.3688 0.103 Uiso 1 1 calc R U . . .
N6 N -0.0492(4) 1.1618(4) 0.2752(4) 0.0385(17) Uani 1 1 d . . . . .
N3 N 0.4526(4) 0.4183(5) 0.2716(4) 0.0436(19) Uani 1 1 d . . . . .
O10 O 0.0507(3) 0.7312(4) 0.2492(3) 0.0429(15) Uani 1 1 d . . . . .
O2 O 0.5508(3) -0.0108(4) 0.2525(3) 0.0478(16) 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
Tb1 O2 2.333(6) . ?
Tb1 O3 2.345(6) . ?
Tb1 O8 2.358(7) . ?
Tb1 O6 2.363(6) . ?
Tb1 O1 2.378(7) . ?
Tb1 O7 2.386(7) . ?
Tb1 O5 2.392(6) . ?
Tb1 O4 2.393(7) . ?
O8 C30 1.243(12) . ?
O6 C20 1.238(11) . ?
O1 N2 1.291(10) . ?
O3 C23 1.272(11) . ?
F17 C22 1.320(13) . ?
O7 C28 1.265(12) . ?
N2 C10 1.329(12) . ?
N2 C11 1.501(12) . ?
O5 C18 1.274(11) . ?
F18 C22 1.340(13) . ?
F10 C17 1.327(13) . ?
O4 C25 1.262(12) . ?
F13 C26 1.334(13) . ?
F16 C22 1.336(13) . ?
F15 C26 1.309(12) . ?
F1 C27 1.306(14) . ?
N1 C7 1.322(15) . ?
N1 C9 1.358(15) . ?
C10 N3 1.331(12) . ?
C10 C1 1.475(13) . ?
C18 C19 1.378(14) . ?
C18 C17 1.545(14) . ?
C1 C2 1.357(15) . ?
C1 C9 1.415(14) . ?
C27 F2 1.308(14) . ?
C27 F3 1.335(15) . ?
C27 C28 1.521(15) . ?
C26 F14 1.291(13) . ?
C26 C25 1.539(15) . ?
C29 C28 1.390(15) . ?
C29 C30 1.405(15) . ?
C29 H29 0.9300 . ?
C24 C23 1.386(14) . ?
C24 C25 1.400(14) . ?
C24 H24 0.9300 . ?
C4 C3 1.341(19) . ?
C4 C8 1.42(2) . ?
C4 H4 0.9300 . ?
C15 C11 1.518(15) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
F11 C17 1.312(13) . ?
C31 F4 1.193(15) . ?
C31 F6 1.256(15) . ?
C31 F5 1.311(16) . ?
C31 C30 1.527(14) . ?
C20 C19 1.417(14) . ?
C20 C21 1.527(15) . ?
C9 C8 1.415(16) . ?
C7 C6 1.38(2) . ?
C7 H7 0.9300 . ?
C3 C2 1.441(15) . ?
C3 H3 0.9300 . ?
C17 F12 1.331(13) . ?
C23 C22 1.531(14) . ?
C5 C6 1.30(2) . ?
C5 C8 1.43(2) . ?
C5 H5 0.9300 . ?
C2 H2 0.9300 . ?
C11 C16 1.530(15) . ?
C11 C12 1.570(15) . ?
C6 H6 0.9300 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
F9 C21 1.280(14) . ?
C19 H19 0.9300 . ?
F7 C21 1.303(15) . ?
C21 F8 1.270(16) . ?
Tb2 O13 2.326(6) . ?
Tb2 O11 2.350(6) . ?
Tb2 O16 2.357(7) . ?
Tb2 O15 2.366(6) . ?
Tb2 O14 2.368(6) . ?
Tb2 O10 2.371(6) . ?
Tb2 O12 2.387(7) . ?
Tb2 O9 2.389(7) . ?
O15 C51 1.266(11) . ?
O16 C49 1.249(11) . ?
O13 C56 1.248(11) . ?
O11 C59 1.263(11) . ?
O9 N5 1.287(10) . ?
O14 C54 1.287(11) . ?
F30 C53 1.329(13) . ?
O12 C61 1.262(12) . ?
N5 C41 1.346(12) . ?
N5 C43 1.503(12) . ?
F23 C58 1.350(14) . ?
F24 C58 1.338(13) . ?
F36 C52 1.326(13) . ?
F27 C57 1.300(13) . ?
F26 C57 1.340(13) . ?
F22 C58 1.319(13) . ?
F25 C57 1.322(13) . ?
C52 F34 1.313(13) . ?
C52 F35 1.321(14) . ?
C52 C51 1.569(14) . ?
C59 C60 1.404(14) . ?
C59 C58 1.530(14) . ?
C41 N6 1.344(11) . ?
C41 C32 1.472(13) . ?
F19 C62 1.309(13) . ?
F29 C53 1.310(12) . ?
C56 C55 1.401(14) . ?
C56 C57 1.535(14) . ?
C43 C45 1.520(14) . ?
C43 C44 1.549(15) . ?
C43 C42 1.558(14) . ?
C61 C60 1.379(14) . ?
C61 C62 1.529(14) . ?
C62 F21 1.300(13) . ?
C62 F20 1.328(12) . ?
C60 H60 0.9300 . ?
C55 C54 1.396(14) . ?
C55 H55 0.9300 . ?
C34 C35 1.38(2) . ?
C34 C33 1.399(15) . ?
C34 H34 0.9300 . ?
C54 C53 1.506(14) . ?
N4 C38 1.309(15) . ?
N4 C40 1.378(15) . ?
C32 C33 1.363(14) . ?
C32 C40 1.440(14) . ?
C40 C39 1.419(16) . ?
C49 C50 1.367(15) . ?
C49 C48 1.554(14) . ?
C33 H33 0.9300 . ?
F28 C53 1.312(12) . ?
C48 F32 1.162(16) . ?
C48 F31 1.224(15) . ?
C48 F33 1.304(18) . ?
C51 C50 1.361(15) . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C38 C37 1.40(2) . ?
C38 H38 0.9300 . ?
C35 C39 1.38(2) . ?
C35 H35 0.9300 . ?
C39 C36 1.415(19) . ?
C50 H50 0.9300 . ?
C37 C36 1.38(2) . ?
C37 H37 0.9300 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C36 H36 0.9300 . ?
C12 C13 1.498(16) . ?
C12 N3 1.511(12) . ?
C12 C14 1.518(15) . ?
C42 N6 1.505(12) . ?
C42 C46 1.510(14) . ?
C42 C47 1.548(15) . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
N6 O10 1.278(9) 2 ?
N3 O2 1.291(10) 2_655 ?
O10 N6 1.277(9) 2_545 ?
O2 N3 1.291(10) 2_645 ?

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 Tb1 O3 99.7(2) . . ?
O2 Tb1 O8 72.5(2) . . ?
O3 Tb1 O8 152.2(2) . . ?
O2 Tb1 O6 93.4(2) . . ?
O3 Tb1 O6 137.7(2) . . ?
O8 Tb1 O6 70.1(2) . . ?
O2 Tb1 O1 137.3(2) . . ?
O3 Tb1 O1 90.6(2) . . ?
O8 Tb1 O1 79.3(2) . . ?
O6 Tb1 O1 106.5(2) . . ?
O2 Tb1 O7 73.9(2) . . ?
O3 Tb1 O7 78.9(2) . . ?
O8 Tb1 O7 73.3(2) . . ?
O6 Tb1 O7 143.3(2) . . ?
O1 Tb1 O7 67.6(2) . . ?
O2 Tb1 O5 147.3(2) . . ?
O3 Tb1 O5 75.4(2) . . ?
O8 Tb1 O5 125.6(2) . . ?
O6 Tb1 O5 72.2(2) . . ?
O1 Tb1 O5 75.4(2) . . ?
O7 Tb1 O5 134.3(2) . . ?
O2 Tb1 O4 73.0(2) . . ?
O3 Tb1 O4 72.2(2) . . ?
O8 Tb1 O4 127.4(2) . . ?
O6 Tb1 O4 73.6(2) . . ?
O1 Tb1 O4 148.4(2) . . ?
O7 Tb1 O4 131.0(2) . . ?
O5 Tb1 O4 74.7(2) . . ?
C30 O8 Tb1 134.2(6) . . ?
C20 O6 Tb1 134.9(6) . . ?
N2 O1 Tb1 137.2(6) . . ?
C23 O3 Tb1 133.8(6) . . ?
C28 O7 Tb1 133.5(6) . . ?
O1 N2 C10 125.1(8) . . ?
O1 N2 C11 120.9(7) . . ?
C10 N2 C11 113.3(8) . . ?
C18 O5 Tb1 131.1(6) . . ?
C25 O4 Tb1 133.7(6) . . ?
C7 N1 C9 118.3(12) . . ?
N2 C10 N3 107.3(8) . . ?
N2 C10 C1 125.1(9) . . ?
N3 C10 C1 127.5(8) . . ?
O5 C18 C19 128.9(9) . . ?
O5 C18 C17 112.5(9) . . ?
C19 C18 C17 118.6(9) . . ?
C2 C1 C9 122.1(10) . . ?
C2 C1 C10 121.6(9) . . ?
C9 C1 C10 116.3(10) . . ?
F1 C27 F2 107.5(11) . . ?
F1 C27 F3 106.9(11) . . ?
F2 C27 F3 105.0(11) . . ?
F1 C27 C28 113.2(9) . . ?
F2 C27 C28 114.7(11) . . ?
F3 C27 C28 108.9(10) . . ?
F14 C26 F15 109.1(10) . . ?
F14 C26 F13 107.4(10) . . ?
F15 C26 F13 106.1(10) . . ?
F14 C26 C25 113.0(9) . . ?
F15 C26 C25 113.0(9) . . ?
F13 C26 C25 107.8(9) . . ?
C28 C29 C30 121.6(10) . . ?
C28 C29 H29 119.2 . . ?
C30 C29 H29 119.2 . . ?
C23 C24 C25 121.4(10) . . ?
C23 C24 H24 119.3 . . ?
C25 C24 H24 119.3 . . ?
C3 C4 C8 122.0(12) . . ?
C3 C4 H4 119.0 . . ?
C8 C4 H4 119.0 . . ?
C11 C15 H15A 109.5 . . ?
C11 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C11 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
F4 C31 F6 108.6(13) . . ?
F4 C31 F5 105.4(13) . . ?
F6 C31 F5 96.2(13) . . ?
F4 C31 C30 116.1(12) . . ?
F6 C31 C30 117.1(12) . . ?
F5 C31 C30 111.1(10) . . ?
O6 C20 C19 127.0(9) . . ?
O6 C20 C21 115.9(10) . . ?
C19 C20 C21 117.1(9) . . ?
N1 C9 C1 118.8(10) . . ?
N1 C9 C8 121.4(11) . . ?
C1 C9 C8 119.8(12) . . ?
O4 C25 C24 126.7(10) . . ?
O4 C25 C26 115.4(9) . . ?
C24 C25 C26 117.8(9) . . ?
N1 C7 C6 123.8(15) . . ?
N1 C7 H7 118.1 . . ?
C6 C7 H7 118.1 . . ?
O8 C30 C29 127.9(10) . . ?
O8 C30 C31 114.4(9) . . ?
C29 C30 C31 117.7(10) . . ?
C4 C3 C2 121.1(13) . . ?
C4 C3 H3 119.4 . . ?
C2 C3 H3 119.4 . . ?
F11 C17 F10 106.1(10) . . ?
F11 C17 F12 109.0(10) . . ?
F10 C17 F12 106.0(9) . . ?
F11 C17 C18 112.7(9) . . ?
F10 C17 C18 109.8(9) . . ?
F12 C17 C18 112.8(10) . . ?
O3 C23 C24 128.3(10) . . ?
O3 C23 C22 113.1(9) . . ?
C24 C23 C22 118.6(9) . . ?
C6 C5 C8 121.2(15) . . ?
C6 C5 H5 119.4 . . ?
C8 C5 H5 119.4 . . ?
F17 C22 F16 108.5(9) . . ?
F17 C22 F18 107.1(10) . . ?
F16 C22 F18 104.9(9) . . ?
F17 C22 C23 113.1(9) . . ?
F16 C22 C23 112.8(10) . . ?
F18 C22 C23 110.0(9) . . ?
C1 C2 C3 117.8(11) . . ?
C1 C2 H2 121.1 . . ?
C3 C2 H2 121.1 . . ?
N2 C11 C15 109.9(8) . . ?
N2 C11 C16 106.9(9) . . ?
C15 C11 C16 110.9(10) . . ?
N2 C11 C12 99.4(7) . . ?
C15 C11 C12 114.4(9) . . ?
C16 C11 C12 114.4(9) . . ?
O7 C28 C29 127.7(10) . . ?
O7 C28 C27 113.8(10) . . ?
C29 C28 C27 118.4(10) . . ?
C5 C6 C7 119.2(14) . . ?
C5 C6 H6 120.4 . . ?
C7 C6 H6 120.4 . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C9 C8 C4 117.1(12) . . ?
C9 C8 C5 116.1(15) . . ?
C4 C8 C5 126.8(14) . . ?
C18 C19 C20 120.8(9) . . ?
C18 C19 H19 119.6 . . ?
C20 C19 H19 119.6 . . ?
F8 C21 F9 108.6(13) . . ?
F8 C21 F7 105.5(13) . . ?
F9 C21 F7 104.5(12) . . ?
F8 C21 C20 110.1(11) . . ?
F9 C21 C20 115.4(11) . . ?
F7 C21 C20 112.2(10) . . ?
O13 Tb2 O11 137.4(2) . . ?
O13 Tb2 O16 70.5(2) . . ?
O11 Tb2 O16 152.1(2) . . ?
O13 Tb2 O15 144.1(2) . . ?
O11 Tb2 O15 78.5(2) . . ?
O16 Tb2 O15 73.6(2) . . ?
O13 Tb2 O14 73.3(2) . . ?
O11 Tb2 O14 73.4(2) . . ?
O16 Tb2 O14 127.0(2) . . ?
O15 Tb2 O14 132.2(2) . . ?
O13 Tb2 O10 90.6(2) . . ?
O11 Tb2 O10 103.2(2) . . ?
O16 Tb2 O10 70.6(2) . . ?
O15 Tb2 O10 77.1(2) . . ?
O14 Tb2 O10 146.6(2) . . ?
O13 Tb2 O12 74.6(2) . . ?
O11 Tb2 O12 72.2(2) . . ?
O16 Tb2 O12 127.2(2) . . ?
O15 Tb2 O12 129.9(2) . . ?
O14 Tb2 O12 76.0(2) . . ?
O10 Tb2 O12 71.5(2) . . ?
O13 Tb2 O9 102.4(2) . . ?
O11 Tb2 O9 92.6(2) . . ?
O16 Tb2 O9 78.2(2) . . ?
O15 Tb2 O9 70.1(2) . . ?
O14 Tb2 O9 73.3(2) . . ?
O10 Tb2 O9 139.8(2) . . ?
O12 Tb2 O9 148.6(2) . . ?
C51 O15 Tb2 131.9(6) . . ?
C49 O16 Tb2 132.8(6) . . ?
C56 O13 Tb2 134.1(6) . . ?
C59 O11 Tb2 132.3(6) . . ?
N5 O9 Tb2 137.9(6) . . ?
C54 O14 Tb2 131.9(6) . . ?
C61 O12 Tb2 133.0(6) . . ?
O9 N5 C41 124.0(8) . . ?
O9 N5 C43 122.6(8) . . ?
C41 N5 C43 113.1(8) . . ?
F34 C52 F35 109.3(10) . . ?
F34 C52 F36 107.8(10) . . ?
F35 C52 F36 105.8(11) . . ?
F34 C52 C51 112.7(10) . . ?
F35 C52 C51 109.8(9) . . ?
F36 C52 C51 111.1(9) . . ?
O11 C59 C60 128.6(9) . . ?
O11 C59 C58 114.5(9) . . ?
C60 C59 C58 116.9(9) . . ?
N6 C41 N5 107.9(8) . . ?
N6 C41 C32 126.1(9) . . ?
N5 C41 C32 125.9(8) . . ?
O13 C56 C55 127.7(9) . . ?
O13 C56 C57 114.0(9) . . ?
C55 C56 C57 118.2(9) . . ?
N5 C43 C45 110.2(8) . . ?
N5 C43 C44 103.2(8) . . ?
C45 C43 C44 109.6(9) . . ?
N5 C43 C42 100.7(7) . . ?
C45 C43 C42 117.1(9) . . ?
C44 C43 C42 114.6(9) . . ?
O12 C61 C60 127.4(10) . . ?
O12 C61 C62 114.6(9) . . ?
C60 C61 C62 118.0(9) . . ?
F21 C62 F19 106.1(11) . . ?
F21 C62 F20 105.4(10) . . ?
F19 C62 F20 105.6(10) . . ?
F21 C62 C61 113.2(9) . . ?
F19 C62 C61 111.7(9) . . ?
F20 C62 C61 114.2(10) . . ?
C61 C60 C59 120.9(10) . . ?
C61 C60 H60 119.5 . . ?
C59 C60 H60 119.5 . . ?
F22 C58 F24 107.9(9) . . ?
F22 C58 F23 106.1(10) . . ?
F24 C58 F23 106.8(10) . . ?
F22 C58 C59 114.1(10) . . ?
F24 C58 C59 111.9(9) . . ?
F23 C58 C59 109.6(9) . . ?
C54 C55 C56 122.0(9) . . ?
C54 C55 H55 119.0 . . ?
C56 C55 H55 119.0 . . ?
C35 C34 C33 119.5(13) . . ?
C35 C34 H34 120.3 . . ?
C33 C34 H34 120.3 . . ?
O14 C54 C55 126.1(9) . . ?
O14 C54 C53 115.1(9) . . ?
C55 C54 C53 118.8(9) . . ?
C38 N4 C40 117.0(13) . . ?
C33 C32 C40 122.0(10) . . ?
C33 C32 C41 121.3(10) . . ?
C40 C32 C41 116.7(9) . . ?
N4 C40 C39 123.8(11) . . ?
N4 C40 C32 118.6(9) . . ?
C39 C40 C32 117.4(11) . . ?
O16 C49 C50 129.6(9) . . ?
O16 C49 C48 113.8(10) . . ?
C50 C49 C48 116.5(9) . . ?
C32 C33 C34 119.3(12) . . ?
C32 C33 H33 120.3 . . ?
C34 C33 H33 120.3 . . ?
F27 C57 F25 107.6(10) . . ?
F27 C57 F26 107.2(9) . . ?
F25 C57 F26 106.5(9) . . ?
F27 C57 C56 110.8(9) . . ?
F25 C57 C56 112.0(9) . . ?
F26 C57 C56 112.4(9) . . ?
F32 C48 F31 118.0(14) . . ?
F32 C48 F33 99.6(15) . . ?
F31 C48 F33 92.6(14) . . ?
F32 C48 C49 115.9(12) . . ?
F31 C48 C49 114.6(11) . . ?
F33 C48 C49 111.9(12) . . ?
O15 C51 C50 129.9(9) . . ?
O15 C51 C52 112.0(9) . . ?
C50 C51 C52 118.1(9) . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
N4 C38 C37 123.8(17) . . ?
N4 C38 H38 118.1 . . ?
C37 C38 H38 118.1 . . ?
C39 C35 C34 122.9(12) . . ?
C39 C35 H35 118.5 . . ?
C34 C35 H35 118.5 . . ?
C35 C39 C36 124.8(14) . . ?
C35 C39 C40 118.8(12) . . ?
C36 C39 C40 116.3(15) . . ?
C51 C50 C49 120.8(9) . . ?
C51 C50 H50 119.6 . . ?
C49 C50 H50 119.6 . . ?
F29 C53 F28 108.0(10) . . ?
F29 C53 F30 106.1(9) . . ?
F28 C53 F30 106.8(9) . . ?
F29 C53 C54 113.2(9) . . ?
F28 C53 C54 113.0(9) . . ?
F30 C53 C54 109.4(9) . . ?
C36 C37 C38 119.8(15) . . ?
C36 C37 H37 120.1 . . ?
C38 C37 H37 120.1 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C37 C36 C39 119.1(15) . . ?
C37 C36 H36 120.5 . . ?
C39 C36 H36 120.5 . . ?
C13 C12 N3 107.0(9) . . ?
C13 C12 C14 112.9(10) . . ?
N3 C12 C14 108.3(9) . . ?
C13 C12 C11 113.1(9) . . ?
N3 C12 C11 99.1(8) . . ?
C14 C12 C11 115.1(10) . . ?
N6 C42 C46 109.6(8) . . ?
N6 C42 C47 106.2(8) . . ?
C46 C42 C47 110.3(10) . . ?
N6 C42 C43 101.2(7) . . ?
C46 C42 C43 116.4(9) . . ?
C47 C42 C43 112.3(9) . . ?
C42 C47 H47A 109.5 . . ?
C42 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C42 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C42 C46 H46A 109.5 . . ?
C42 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C42 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
O10 N6 C41 124.8(8) 2 . ?
O10 N6 C42 121.5(7) 2 . ?
C41 N6 C42 113.3(8) . . ?
O2 N3 C10 125.4(8) 2_655 . ?
O2 N3 C12 120.0(8) 2_655 . ?
C10 N3 C12 114.0(8) . . ?
N6 O10 Tb2 149.2(6) 2_545 . ?
N3 O2 Tb1 148.4(6) 2_645 . ?

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
Tb1 O1 N2 C10 -79.0(12) . . . . ?
Tb1 O1 N2 C11 111.1(9) . . . . ?
O1 N2 C10 N3 174.7(8) . . . . ?
C11 N2 C10 N3 -14.7(11) . . . . ?
O1 N2 C10 C1 -8.9(15) . . . . ?
C11 N2 C10 C1 161.7(9) . . . . ?
Tb1 O5 C18 C19 -18.3(15) . . . . ?
Tb1 O5 C18 C17 160.6(6) . . . . ?
N2 C10 C1 C2 123.6(11) . . . . ?
N3 C10 C1 C2 -60.7(15) . . . . ?
N2 C10 C1 C9 -56.4(13) . . . . ?
N3 C10 C1 C9 119.3(11) . . . . ?
Tb1 O6 C20 C19 11.8(17) . . . . ?
Tb1 O6 C20 C21 -167.8(7) . . . . ?
C7 N1 C9 C1 -178.2(10) . . . . ?
C7 N1 C9 C8 -0.6(16) . . . . ?
C2 C1 C9 N1 174.3(10) . . . . ?
C10 C1 C9 N1 -5.7(14) . . . . ?
C2 C1 C9 C8 -3.3(16) . . . . ?
C10 C1 C9 C8 176.7(10) . . . . ?
Tb1 O4 C25 C24 -16.8(16) . . . . ?
Tb1 O4 C25 C26 160.3(7) . . . . ?
C23 C24 C25 O4 2.0(16) . . . . ?
C23 C24 C25 C26 -175.0(9) . . . . ?
F14 C26 C25 O4 26.9(14) . . . . ?
F15 C26 C25 O4 151.3(10) . . . . ?
F13 C26 C25 O4 -91.7(12) . . . . ?
F14 C26 C25 C24 -155.8(10) . . . . ?
F15 C26 C25 C24 -31.3(14) . . . . ?
F13 C26 C25 C24 85.6(12) . . . . ?
C9 N1 C7 C6 -0.8(19) . . . . ?
Tb1 O8 C30 C29 -16.2(17) . . . . ?
Tb1 O8 C30 C31 162.1(7) . . . . ?
C28 C29 C30 O8 3.3(19) . . . . ?
C28 C29 C30 C31 -175.0(11) . . . . ?
F4 C31 C30 O8 63.6(16) . . . . ?
F6 C31 C30 O8 -165.9(13) . . . . ?
F5 C31 C30 O8 -56.8(15) . . . . ?
F4 C31 C30 C29 -117.9(14) . . . . ?
F6 C31 C30 C29 12.6(19) . . . . ?
F5 C31 C30 C29 121.7(13) . . . . ?
C8 C4 C3 C2 -0.9(19) . . . . ?
O5 C18 C17 F11 -45.5(13) . . . . ?
C19 C18 C17 F11 133.6(11) . . . . ?
O5 C18 C17 F10 72.6(11) . . . . ?
C19 C18 C17 F10 -108.3(11) . . . . ?
O5 C18 C17 F12 -169.4(9) . . . . ?
C19 C18 C17 F12 9.6(14) . . . . ?
Tb1 O3 C23 C24 17.1(15) . . . . ?
Tb1 O3 C23 C22 -160.6(6) . . . . ?
C25 C24 C23 O3 -2.0(16) . . . . ?
C25 C24 C23 C22 175.6(9) . . . . ?
O3 C23 C22 F17 -36.5(13) . . . . ?
C24 C23 C22 F17 145.5(10) . . . . ?
O3 C23 C22 F16 -160.1(9) . . . . ?
C24 C23 C22 F16 22.0(14) . . . . ?
O3 C23 C22 F18 83.2(11) . . . . ?
C24 C23 C22 F18 -94.8(11) . . . . ?
C9 C1 C2 C3 3.4(15) . . . . ?
C10 C1 C2 C3 -176.7(9) . . . . ?
C4 C3 C2 C1 -1.2(17) . . . . ?
O1 N2 C11 C15 -43.2(13) . . . . ?
C10 N2 C11 C15 145.8(9) . . . . ?
O1 N2 C11 C16 77.2(11) . . . . ?
C10 N2 C11 C16 -93.8(10) . . . . ?
O1 N2 C11 C12 -163.6(8) . . . . ?
C10 N2 C11 C12 25.4(11) . . . . ?
Tb1 O7 C28 C29 -8.9(16) . . . . ?
Tb1 O7 C28 C27 174.1(7) . . . . ?
C30 C29 C28 O7 9.4(18) . . . . ?
C30 C29 C28 C27 -173.7(11) . . . . ?
F1 C27 C28 O7 52.6(14) . . . . ?
F2 C27 C28 O7 176.4(11) . . . . ?
F3 C27 C28 O7 -66.2(13) . . . . ?
F1 C27 C28 C29 -124.7(12) . . . . ?
F2 C27 C28 C29 -0.9(17) . . . . ?
F3 C27 C28 C29 116.5(12) . . . . ?
C8 C5 C6 C7 -1(2) . . . . ?
N1 C7 C6 C5 2(2) . . . . ?
N1 C9 C8 C4 -176.5(11) . . . . ?
C1 C9 C8 C4 1.1(17) . . . . ?
N1 C9 C8 C5 1.0(17) . . . . ?
C1 C9 C8 C5 178.5(11) . . . . ?
C3 C4 C8 C9 1.0(19) . . . . ?
C3 C4 C8 C5 -176.2(13) . . . . ?
C6 C5 C8 C9 0(2) . . . . ?
C6 C5 C8 C4 177.2(14) . . . . ?
O5 C18 C19 C20 -3.0(17) . . . . ?
C17 C18 C19 C20 178.1(9) . . . . ?
O6 C20 C19 C18 6.9(17) . . . . ?
C21 C20 C19 C18 -173.5(10) . . . . ?
O6 C20 C21 F8 78.3(15) . . . . ?
C19 C20 C21 F8 -101.3(14) . . . . ?
O6 C20 C21 F9 -158.4(12) . . . . ?
C19 C20 C21 F9 22.0(17) . . . . ?
O6 C20 C21 F7 -38.9(16) . . . . ?
C19 C20 C21 F7 141.5(12) . . . . ?
Tb2 O9 N5 C41 -79.5(12) . . . . ?
Tb2 O9 N5 C43 107.4(10) . . . . ?
Tb2 O11 C59 C60 19.8(16) . . . . ?
Tb2 O11 C59 C58 -156.3(7) . . . . ?
O9 N5 C41 N6 174.6(8) . . . . ?
C43 N5 C41 N6 -11.7(11) . . . . ?
O9 N5 C41 C32 -9.1(15) . . . . ?
C43 N5 C41 C32 164.6(9) . . . . ?
Tb2 O13 C56 C55 10.0(17) . . . . ?
Tb2 O13 C56 C57 -167.0(7) . . . . ?
O9 N5 C43 C45 -42.8(13) . . . . ?
C41 N5 C43 C45 143.4(9) . . . . ?
O9 N5 C43 C44 74.2(11) . . . . ?
C41 N5 C43 C44 -99.6(9) . . . . ?
O9 N5 C43 C42 -167.2(8) . . . . ?
C41 N5 C43 C42 19.0(10) . . . . ?
Tb2 O12 C61 C60 -17.3(16) . . . . ?
Tb2 O12 C61 C62 159.8(7) . . . . ?
O12 C61 C62 F21 40.8(14) . . . . ?
C60 C61 C62 F21 -141.8(11) . . . . ?
O12 C61 C62 F19 -78.9(12) . . . . ?
C60 C61 C62 F19 98.5(12) . . . . ?
O12 C61 C62 F20 161.4(10) . . . . ?
C60 C61 C62 F20 -21.1(15) . . . . ?
O12 C61 C60 C59 -1.3(17) . . . . ?
C62 C61 C60 C59 -178.3(9) . . . . ?
O11 C59 C60 C61 0.1(17) . . . . ?
C58 C59 C60 C61 176.1(10) . . . . ?
O11 C59 C58 F22 -154.3(10) . . . . ?
C60 C59 C58 F22 29.1(14) . . . . ?
O11 C59 C58 F24 -31.5(13) . . . . ?
C60 C59 C58 F24 151.9(10) . . . . ?
O11 C59 C58 F23 86.8(11) . . . . ?
C60 C59 C58 F23 -89.8(12) . . . . ?
O13 C56 C55 C54 7.5(18) . . . . ?
C57 C56 C55 C54 -175.6(10) . . . . ?
Tb2 O14 C54 C55 -18.9(16) . . . . ?
Tb2 O14 C54 C53 162.4(7) . . . . ?
C56 C55 C54 O14 -2.6(17) . . . . ?
C56 C55 C54 C53 176.1(10) . . . . ?
N6 C41 C32 C33 -60.2(14) . . . . ?
N5 C41 C32 C33 124.2(11) . . . . ?
N6 C41 C32 C40 117.7(11) . . . . ?
N5 C41 C32 C40 -57.9(13) . . . . ?
C38 N4 C40 C39 -4.1(17) . . . . ?
C38 N4 C40 C32 -178.9(11) . . . . ?
C33 C32 C40 N4 172.7(10) . . . . ?
C41 C32 C40 N4 -5.2(14) . . . . ?
C33 C32 C40 C39 -2.4(15) . . . . ?
C41 C32 C40 C39 179.7(9) . . . . ?
Tb2 O16 C49 C50 -13.4(17) . . . . ?
Tb2 O16 C49 C48 164.1(7) . . . . ?
C40 C32 C33 C34 2.3(15) . . . . ?
C41 C32 C33 C34 -180.0(9) . . . . ?
C35 C34 C33 C32 -0.2(16) . . . . ?
O13 C56 C57 F27 85.6(12) . . . . ?
C55 C56 C57 F27 -91.7(12) . . . . ?
O13 C56 C57 F25 -34.5(13) . . . . ?
C55 C56 C57 F25 148.2(10) . . . . ?
O13 C56 C57 F26 -154.4(9) . . . . ?
C55 C56 C57 F26 28.3(14) . . . . ?
O16 C49 C48 F32 86.4(17) . . . . ?
C50 C49 C48 F32 -95.7(17) . . . . ?
O16 C49 C48 F31 -130.7(13) . . . . ?
C50 C49 C48 F31 47.2(17) . . . . ?
O16 C49 C48 F33 -26.9(17) . . . . ?
C50 C49 C48 F33 151.0(14) . . . . ?
Tb2 O15 C51 C50 -9.3(16) . . . . ?
Tb2 O15 C51 C52 172.7(6) . . . . ?
F34 C52 C51 O15 179.5(10) . . . . ?
F35 C52 C51 O15 -58.4(12) . . . . ?
F36 C52 C51 O15 58.3(13) . . . . ?
F34 C52 C51 C50 1.3(15) . . . . ?
F35 C52 C51 C50 123.4(12) . . . . ?
F36 C52 C51 C50 -119.9(12) . . . . ?
C40 N4 C38 C37 3(2) . . . . ?
C33 C34 C35 C39 -1.8(19) . . . . ?
C34 C35 C39 C36 -175.1(13) . . . . ?
C34 C35 C39 C40 1.5(19) . . . . ?
N4 C40 C39 C35 -174.3(11) . . . . ?
C32 C40 C39 C35 0.5(16) . . . . ?
N4 C40 C39 C36 2.6(17) . . . . ?
C32 C40 C39 C36 177.5(11) . . . . ?
O15 C51 C50 C49 7.3(19) . . . . ?
C52 C51 C50 C49 -174.8(10) . . . . ?
O16 C49 C50 C51 4.7(19) . . . . ?
C48 C49 C50 C51 -172.8(10) . . . . ?
O14 C54 C53 F29 -35.5(14) . . . . ?
C55 C54 C53 F29 145.7(10) . . . . ?
O14 C54 C53 F28 -158.6(10) . . . . ?
C55 C54 C53 F28 22.6(15) . . . . ?
O14 C54 C53 F30 82.6(11) . . . . ?
C55 C54 C53 F30 -96.3(11) . . . . ?
N4 C38 C37 C36 -1(3) . . . . ?
C38 C37 C36 C39 -1(2) . . . . ?
C35 C39 C36 C37 176.5(15) . . . . ?
C40 C39 C36 C37 0(2) . . . . ?
N2 C11 C12 C13 89.4(10) . . . . ?
C15 C11 C12 C13 -27.6(13) . . . . ?
C16 C11 C12 C13 -157.1(10) . . . . ?
N2 C11 C12 N3 -23.5(9) . . . . ?
C15 C11 C12 N3 -140.5(9) . . . . ?
C16 C11 C12 N3 90.0(10) . . . . ?
N2 C11 C12 C14 -138.7(9) . . . . ?
C15 C11 C12 C14 104.2(11) . . . . ?
C16 C11 C12 C14 -25.3(13) . . . . ?
N5 C43 C42 N6 -17.4(9) . . . . ?
C45 C43 C42 N6 -136.9(9) . . . . ?
C44 C43 C42 N6 92.5(10) . . . . ?
N5 C43 C42 C46 -136.1(9) . . . . ?
C45 C43 C42 C46 104.4(12) . . . . ?
C44 C43 C42 C46 -26.1(13) . . . . ?
N5 C43 C42 C47 95.4(10) . . . . ?
C45 C43 C42 C47 -24.1(13) . . . . ?
C44 C43 C42 C47 -154.6(9) . . . . ?
N5 C41 N6 O10 -174.6(8) . . . 2 ?
C32 C41 N6 O10 9.1(15) . . . 2 ?
N5 C41 N6 C42 -1.6(11) . . . . ?
C32 C41 N6 C42 -177.9(9) . . . . ?
C46 C42 N6 O10 -50.2(12) . . . 2 ?
C47 C42 N6 O10 68.9(11) . . . 2 ?
C43 C42 N6 O10 -173.7(8) . . . 2 ?
C46 C42 N6 C41 136.5(9) . . . . ?
C47 C42 N6 C41 -104.4(9) . . . . ?
C43 C42 N6 C41 13.0(10) . . . . ?
N2 C10 N3 O2 -174.6(8) . . . 2_655 ?
C1 C10 N3 O2 9.1(16) . . . 2_655 ?
N2 C10 N3 C12 -3.8(12) . . . . ?
C1 C10 N3 C12 179.9(10) . . . . ?
C13 C12 N3 O2 72.4(11) . . . 2_655 ?
C14 C12 N3 O2 -49.6(13) . . . 2_655 ?
C11 C12 N3 O2 -170.0(8) . . . 2_655 ?
C13 C12 N3 C10 -99.0(10) . . . . ?
C14 C12 N3 C10 139.0(10) . . . . ?
C11 C12 N3 C10 18.7(11) . . . . ?

_refine_diff_density_max         5.007
_refine_diff_density_min         -1.648
_refine_diff_density_rms         0.183



