# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2026

####################################################################### 
# 
# 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. 
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data_q
_database_code_depnum_ccdc_archive 'CCDC 2492487'
loop_
_audit_author_name
_audit_author_address
'Victoria Gontcharenko'
;MSU
Russia
;
_audit_update_record             
;
2025-09-30 deposited with the CCDC.	2026-06-03 downloaded from the CCDC.
;
_audit_creation_date             2025-09-30
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C57 H11 Eu F30 N2 O6'
_chemical_formula_sum            'C57 H11 Eu F30 N2 O6'
_chemical_formula_weight         1541.64
_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                   11.9675(4)
_cell_length_b                   13.2543(4)
_cell_length_c                   17.6498(5)
_cell_angle_alpha                82.5870(10)
_cell_angle_beta                 71.3540(10)
_cell_angle_gamma                85.1860(10)
_cell_volume                     2627.79(14)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9956
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      30.50
_cell_measurement_theta_min      2.43
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.358
_exptl_absorpt_correction_T_max  0.6478
_exptl_absorpt_correction_T_min  0.5816
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0501 before and 0.0382 after correction.
The Ratio of minimum to maximum transmission is 0.8978.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.948
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1496
_exptl_crystal_size_max          0.103
_exptl_crystal_size_mid          0.102
_exptl_crystal_size_min          0.101
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0263
_diffrn_reflns_av_unetI/netI     0.0434
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            29540
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.505
_diffrn_reflns_theta_min         1.798
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker D8 Quest with Photon III Detector'
_diffrn_measurement_method       'φ and ω shutterless scans'
_diffrn_radiation_monochromator  ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_current           0.9
_diffrn_source_power             0.045
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14369
_reflns_number_total             15863
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_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         0.591
_refine_diff_density_min         -1.085
_refine_diff_density_rms         0.084
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     865
_refine_ls_number_reflns         15863
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0315
_refine_ls_R_factor_gt           0.0264
_refine_ls_restrained_S_all      1.012
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0139P)²+1.3132P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0555
_refine_ls_wR_factor_ref         0.0572
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C46(H46), C47(H47), C53(H53), C54(H54), C48(H48), C55(H55), C38(H38),
 C51(H51), C23(H23), C8(H8), C50(H50)
;
_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
Eu1 Eu 0.44381(2) 0.72448(2) 0.18854(2) 0.00956(2) Uani 1 1 d . . . . .
F29 F 0.79659(10) 0.25624(9) 0.01285(7) 0.0237(2) Uani 1 1 d . . . . .
F10 F 0.11069(11) 0.95630(9) 0.28841(7) 0.0267(3) Uani 1 1 d . . . . .
F20 F 0.33832(10) 1.04673(9) 0.30580(7) 0.0220(2) Uani 1 1 d . . . . .
F30 F 0.72218(10) 0.45273(8) 0.02185(7) 0.0225(2) Uani 1 1 d . . . . .
F16 F 0.61180(10) 0.87501(8) 0.42615(6) 0.0215(2) Uani 1 1 d . . . . .
F5 F 0.06786(10) 0.58887(9) 0.11272(7) 0.0249(2) Uani 1 1 d . . . . .
F24 F 1.08929(10) 0.92976(9) 0.01596(7) 0.0248(2) Uani 1 1 d . . . . .
F21 F 0.71851(10) 0.82588(9) 0.27897(7) 0.0252(2) Uani 1 1 d . . . . .
F18 F 0.57279(11) 1.23082(9) 0.40166(7) 0.0274(3) Uani 1 1 d . . . . .
F23 F 1.04450(10) 1.02607(9) 0.14845(8) 0.0265(3) Uani 1 1 d . . . . .
F22 F 0.85735(11) 0.97515(10) 0.28104(7) 0.0280(3) Uani 1 1 d . . . . .
F28 F 0.83566(11) 0.14238(8) 0.14309(8) 0.0263(3) Uani 1 1 d . . . . .
F25 F 0.94651(10) 0.78254(9) 0.01249(7) 0.0252(2) Uani 1 1 d . . . . .
F3 F 0.06246(11) 0.23231(9) 0.14590(8) 0.0308(3) Uani 1 1 d . . . . .
F17 F 0.67962(10) 1.05430(9) 0.44604(7) 0.0253(2) Uani 1 1 d . . . . .
F26 F 0.72373(12) 0.42488(9) 0.29045(7) 0.0281(3) Uani 1 1 d . . . . .
F1 F 0.25031(12) 0.39727(9) 0.28841(7) 0.0291(3) Uani 1 1 d . . . . .
F27 F 0.80199(12) 0.22755(9) 0.28055(7) 0.0315(3) Uani 1 1 d . . . . .
F19 F 0.39954(11) 1.22546(9) 0.33361(7) 0.0269(3) Uani 1 1 d . . . . .
F15 F 0.18279(11) 0.71594(9) 0.51900(7) 0.0298(3) Uani 1 1 d . . . . .
F11 F 0.48363(12) 0.47479(9) 0.40212(8) 0.0328(3) Uani 1 1 d . . . . .
O5 O 0.64184(11) 0.77252(9) 0.14054(7) 0.0154(2) Uani 1 1 d . . . . .
O1 O 0.31112(11) 0.60965(9) 0.18124(7) 0.0158(2) Uani 1 1 d . . . . .
O4 O 0.46673(11) 0.85231(9) 0.26505(7) 0.0154(2) Uani 1 1 d . . . . .
F14 F 0.08234(12) 0.57168(11) 0.63636(8) 0.0367(3) Uani 1 1 d . . . . .
F4 F 0.00742(11) 0.41519(10) 0.07424(8) 0.0308(3) Uani 1 1 d . . . . .
F6 F 0.00451(12) 0.64002(10) 0.44436(8) 0.0353(3) Uani 1 1 d . . . . .
F2 F 0.18289(13) 0.22336(9) 0.25334(8) 0.0332(3) Uani 1 1 d . . . . .
F12 F 0.38020(14) 0.33279(10) 0.52060(9) 0.0467(4) Uani 1 1 d . . . . .
F9 F -0.04333(12) 1.05216(10) 0.40542(8) 0.0369(3) Uani 1 1 d . . . . .
F13 F 0.18095(12) 0.38012(11) 0.63873(8) 0.0400(3) Uani 1 1 d . . . . .
O6 O 0.57032(11) 0.57373(9) 0.16535(7) 0.0155(2) Uani 1 1 d . . . . .
O3 O 0.42052(12) 0.64677(10) 0.31706(7) 0.0187(3) Uani 1 1 d . . . . .
F8 F -0.17469(12) 0.94545(13) 0.54113(8) 0.0451(4) Uani 1 1 d . . . . .
O2 O 0.25119(11) 0.78162(10) 0.26469(7) 0.0166(2) Uani 1 1 d . . . . .
F7 F -0.15024(14) 0.73840(13) 0.55892(8) 0.0510(4) Uani 1 1 d . . . . .
N1 N 0.39001(13) 0.88144(11) 0.10624(9) 0.0137(3) Uani 1 1 d . . . . .
N2 N 0.48912(12) 0.71261(11) 0.03492(9) 0.0136(3) Uani 1 1 d . . . . .
C46 C 0.34157(15) 0.96414(13) 0.14158(10) 0.0150(3) Uani 1 1 d . . . . .
H46 H 0.331712 0.964060 0.197181 0.018 Uiso 1 1 calc R U . . .
C37 C 0.73752(15) 0.72848(13) 0.14611(10) 0.0148(3) Uani 1 1 d . . . . .
C4 C 0.09316(17) 0.31836(14) 0.16444(12) 0.0214(4) Uani 1 1 d . . . . .
C28 C 0.54075(17) 1.14184(14) 0.38945(11) 0.0197(4) Uani 1 1 d . . . . .
C57 C 0.40354(14) 0.88201(13) 0.02645(10) 0.0128(3) Uani 1 1 d . . . . .
C9 C 0.15400(15) 0.74085(14) 0.29558(11) 0.0163(3) Uani 1 1 d . . . . .
C47 C 0.30433(15) 1.05154(13) 0.10064(11) 0.0168(3) Uani 1 1 d . . . . .
H47 H 0.270040 1.109094 0.128194 0.020 Uiso 1 1 calc R U . . .
C16 C 0.33733(17) 0.60104(14) 0.45559(11) 0.0185(3) Uani 1 1 d . . . . .
C45 C 0.73979(15) 0.39789(13) 0.08706(11) 0.0167(3) Uani 1 1 d . . . . .
C10 C 0.06325(16) 0.79418(15) 0.36081(11) 0.0187(3) Uani 1 1 d . . . . .
C53 C 0.52441(16) 0.70115(14) -0.12908(11) 0.0188(4) Uani 1 1 d . . . . .
H53 H 0.536792 0.697006 -0.184526 0.023 Uiso 1 1 calc R U . . .
C17 C 0.38354(18) 0.50148(15) 0.45804(12) 0.0228(4) Uani 1 1 d . . . . .
C40 C 0.71958(15) 0.44405(13) 0.15676(11) 0.0161(3) Uani 1 1 d . . . . .
C54 C 0.55715(17) 0.62045(14) -0.08205(11) 0.0196(4) Uani 1 1 d . . . . .
H54 H 0.592461 0.559674 -0.104479 0.023 Uiso 1 1 calc R U . . .
C48 C 0.31795(15) 1.05297(13) 0.02048(11) 0.0169(3) Uani 1 1 d . . . . .
H48 H 0.293503 1.111684 -0.008220 0.020 Uiso 1 1 calc R U . . .
C56 C 0.45630(14) 0.79213(13) -0.01133(10) 0.0129(3) Uani 1 1 d . . . . .
C44 C 0.77921(16) 0.29742(14) 0.08134(11) 0.0181(3) Uani 1 1 d . . . . .
C35 C 0.99894(15) 0.90157(14) 0.08117(11) 0.0181(3) Uani 1 1 d . . . . .
C24 C 0.44765(16) 0.85500(13) 0.33941(10) 0.0156(3) Uani 1 1 d . . . . .
C30 C 0.42248(16) 1.04614(14) 0.34088(10) 0.0168(3) Uani 1 1 d . . . . .
C15 C 0.04943(17) 0.89954(15) 0.35467(11) 0.0214(4) Uani 1 1 d . . . . .
C25 C 0.47538(16) 0.95412(13) 0.36236(10) 0.0154(3) Uani 1 1 d . . . . .
C31 C 0.82917(15) 0.80000(13) 0.14618(11) 0.0154(3) Uani 1 1 d . . . . .
C1 C 0.16013(15) 0.49701(14) 0.20204(11) 0.0165(3) Uani 1 1 d . . . . .
C55 C 0.53746(16) 0.62952(13) -0.00024(11) 0.0171(3) Uani 1 1 d . . . . .
H55 H 0.559902 0.573196 0.031733 0.021 Uiso 1 1 calc R U . . .
C27 C 0.59513(16) 1.05186(14) 0.41185(11) 0.0184(3) Uani 1 1 d . . . . .
C26 C 0.56024(16) 0.95999(14) 0.39988(10) 0.0167(3) Uani 1 1 d . . . . .
C38 C 0.76141(16) 0.62419(14) 0.15413(13) 0.0217(4) Uani 1 1 d . . . . .
H38 H 0.837461 0.599401 0.155879 0.026 Uiso 1 1 calc R U . . .
C36 C 0.92552(16) 0.82660(14) 0.08021(11) 0.0166(3) Uani 1 1 d . . . . .
C51 C 0.43457(16) 0.87718(14) -0.13814(11) 0.0178(3) Uani 1 1 d . . . . .
H51 H 0.444389 0.875456 -0.193542 0.021 Uiso 1 1 calc R U . . .
C6 C 0.09778(16) 0.49942(14) 0.14807(11) 0.0178(3) Uani 1 1 d . . . . .
C33 C 0.88169(16) 0.92558(14) 0.21577(11) 0.0188(4) Uani 1 1 d . . . . .
C41 C 0.74109(17) 0.38440(14) 0.22161(12) 0.0199(4) Uani 1 1 d . . . . .
C34 C 0.97656(16) 0.95110(13) 0.14905(12) 0.0187(4) Uani 1 1 d . . . . .
C7 C 0.20381(16) 0.59301(13) 0.21902(11) 0.0166(3) Uani 1 1 d . . . . .
C23 C 0.40528(17) 0.77702(14) 0.40080(11) 0.0189(4) Uani 1 1 d . . . . .
H23 H 0.385472 0.791166 0.455070 0.023 Uiso 1 1 calc R U . . .
C8 C 0.12362(16) 0.65043(15) 0.27444(12) 0.0211(4) Uani 1 1 d . . . . .
H8 H 0.045607 0.627970 0.298939 0.025 Uiso 1 1 calc R U . . .
C52 C 0.47227(15) 0.78990(13) -0.09364(10) 0.0147(3) Uani 1 1 d . . . . .
C42 C 0.78051(17) 0.28355(14) 0.21770(12) 0.0212(4) Uani 1 1 d . . . . .
C49 C 0.36852(15) 0.96661(13) -0.01902(10) 0.0146(3) Uani 1 1 d . . . . .
C5 C 0.06538(17) 0.41104(15) 0.12813(12) 0.0212(4) Uani 1 1 d . . . . .
C43 C 0.79920(16) 0.24009(13) 0.14690(12) 0.0199(4) Uani 1 1 d . . . . .
C3 C 0.15416(17) 0.31383(14) 0.21944(12) 0.0213(4) Uani 1 1 d . . . . .
C50 C 0.38544(16) 0.96170(14) -0.10276(11) 0.0183(3) Uani 1 1 d . . . . .
H50 H 0.361795 1.018555 -0.133674 0.022 Uiso 1 1 calc R U . . .
C21 C 0.23563(18) 0.62242(15) 0.51739(11) 0.0213(4) Uani 1 1 d . . . . .
C2 C 0.18782(17) 0.40317(15) 0.23691(11) 0.0202(4) Uani 1 1 d . . . . .
C20 C 0.18168(18) 0.54880(17) 0.57824(12) 0.0251(4) Uani 1 1 d . . . . .
C39 C 0.67701(15) 0.55427(13) 0.15972(11) 0.0153(3) Uani 1 1 d . . . . .
C32 C 0.81031(16) 0.85022(14) 0.21362(11) 0.0180(3) Uani 1 1 d . . . . .
C22 C 0.39086(16) 0.67877(14) 0.38542(10) 0.0164(3) Uani 1 1 d . . . . .
C29 C 0.45304(17) 1.13860(14) 0.35480(10) 0.0182(3) Uani 1 1 d . . . . .
C18 C 0.33203(19) 0.42725(16) 0.51910(13) 0.0280(4) Uani 1 1 d . . . . .
C11 C -0.00672(18) 0.74205(16) 0.43099(12) 0.0255(4) Uani 1 1 d . . . . .
C19 C 0.23075(19) 0.45160(17) 0.57920(13) 0.0281(4) Uani 1 1 d . . . . .
C14 C -0.03073(18) 0.95072(17) 0.41413(13) 0.0263(4) Uani 1 1 d . . . . .
C13 C -0.09818(19) 0.8960(2) 0.48279(13) 0.0319(5) Uani 1 1 d . . . . .
C12 C -0.08649(19) 0.7917(2) 0.49185(13) 0.0325(5) 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
Eu1 O5 2.3601(12) . ?
Eu1 O1 2.3329(12) . ?
Eu1 O4 2.3820(12) . ?
Eu1 O6 2.3998(12) . ?
Eu1 O3 2.3076(12) . ?
Eu1 O2 2.3837(12) . ?
Eu1 N1 2.5389(14) . ?
Eu1 N2 2.6127(14) . ?
F29 C44 1.339(2) . ?
F10 C15 1.337(2) . ?
F20 C30 1.339(2) . ?
F30 C45 1.346(2) . ?
F16 C26 1.340(2) . ?
F5 C6 1.343(2) . ?
F24 C35 1.340(2) . ?
F21 C32 1.340(2) . ?
F18 C28 1.334(2) . ?
F23 C34 1.333(2) . ?
F22 C33 1.339(2) . ?
F28 C43 1.335(2) . ?
F25 C36 1.340(2) . ?
F3 C4 1.337(2) . ?
F17 C27 1.337(2) . ?
F26 C41 1.340(2) . ?
F1 C2 1.341(2) . ?
F27 C42 1.336(2) . ?
F19 C29 1.339(2) . ?
F15 C21 1.343(2) . ?
F11 C17 1.340(2) . ?
O5 C37 1.267(2) . ?
O1 C7 1.267(2) . ?
O4 C24 1.263(2) . ?
F14 C20 1.341(2) . ?
F4 C5 1.338(2) . ?
F6 C11 1.345(2) . ?
F2 C3 1.338(2) . ?
F12 C18 1.334(2) . ?
F9 C14 1.335(3) . ?
F13 C19 1.339(2) . ?
O6 C39 1.256(2) . ?
O3 C22 1.263(2) . ?
F8 C13 1.341(2) . ?
O2 C9 1.251(2) . ?
F7 C12 1.334(3) . ?
N1 C46 1.329(2) . ?
N1 C57 1.364(2) . ?
N2 C56 1.358(2) . ?
N2 C55 1.331(2) . ?
C46 H46 0.9500 . ?
C46 C47 1.402(2) . ?
C37 C31 1.509(2) . ?
C37 C38 1.386(2) . ?
C4 C5 1.377(3) . ?
C4 C3 1.382(3) . ?
C28 C27 1.384(3) . ?
C28 C29 1.379(3) . ?
C57 C56 1.439(2) . ?
C57 C49 1.407(2) . ?
C9 C10 1.512(2) . ?
C9 C8 1.408(2) . ?
C47 H47 0.9500 . ?
C47 C48 1.369(3) . ?
C16 C17 1.388(3) . ?
C16 C21 1.387(3) . ?
C16 C22 1.510(2) . ?
C45 C40 1.388(2) . ?
C45 C44 1.380(3) . ?
C10 C15 1.387(3) . ?
C10 C11 1.388(3) . ?
C53 H53 0.9500 . ?
C53 C54 1.377(3) . ?
C53 C52 1.408(2) . ?
C17 C18 1.383(3) . ?
C40 C41 1.386(3) . ?
C40 C39 1.508(2) . ?
C54 H54 0.9500 . ?
C54 C55 1.406(2) . ?
C48 H48 0.9500 . ?
C48 C49 1.408(2) . ?
C56 C52 1.407(2) . ?
C44 C43 1.376(3) . ?
C35 C36 1.386(2) . ?
C35 C34 1.381(3) . ?
C24 C25 1.515(2) . ?
C24 C23 1.395(2) . ?
C30 C25 1.392(3) . ?
C30 C29 1.381(2) . ?
C15 C14 1.383(3) . ?
C25 C26 1.390(2) . ?
C31 C36 1.383(2) . ?
C31 C32 1.385(2) . ?
C1 C6 1.381(2) . ?
C1 C7 1.514(2) . ?
C1 C2 1.378(3) . ?
C55 H55 0.9500 . ?
C27 C26 1.382(2) . ?
C38 H38 0.9500 . ?
C38 C39 1.399(2) . ?
C51 H51 0.9500 . ?
C51 C52 1.436(2) . ?
C51 C50 1.351(3) . ?
C6 C5 1.384(3) . ?
C33 C34 1.377(3) . ?
C33 C32 1.379(3) . ?
C41 C42 1.383(3) . ?
C7 C8 1.388(2) . ?
C23 H23 0.9500 . ?
C23 C22 1.399(2) . ?
C8 H8 0.9500 . ?
C42 C43 1.389(3) . ?
C49 C50 1.436(2) . ?
C3 C2 1.383(3) . ?
C50 H50 0.9500 . ?
C21 C20 1.384(3) . ?
C20 C19 1.371(3) . ?
C18 C19 1.378(3) . ?
C11 C12 1.385(3) . ?
C14 C13 1.376(3) . ?
C13 C12 1.372(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
O5 Eu1 O4 71.21(4) . . ?
O5 Eu1 O6 71.36(4) . . ?
O5 Eu1 O2 141.81(4) . . ?
O5 Eu1 N1 88.70(4) . . ?
O5 Eu1 N2 79.98(4) . . ?
O1 Eu1 O5 145.23(4) . . ?
O1 Eu1 O4 143.02(4) . . ?
O1 Eu1 O6 79.48(4) . . ?
O1 Eu1 O2 72.58(4) . . ?
O1 Eu1 N1 101.07(4) . . ?
O1 Eu1 N2 75.08(4) . . ?
O4 Eu1 O6 123.72(4) . . ?
O4 Eu1 O2 72.54(4) . . ?
O4 Eu1 N1 80.65(4) . . ?
O4 Eu1 N2 134.08(4) . . ?
O6 Eu1 N1 137.87(4) . . ?
O6 Eu1 N2 76.55(4) . . ?
O3 Eu1 O5 104.51(5) . . ?
O3 Eu1 O1 86.56(5) . . ?
O3 Eu1 O4 73.38(4) . . ?
O3 Eu1 O6 77.19(4) . . ?
O3 Eu1 O2 75.86(5) . . ?
O3 Eu1 N1 144.80(5) . . ?
O3 Eu1 N2 150.23(4) . . ?
O2 Eu1 O6 141.95(4) . . ?
O2 Eu1 N1 73.92(4) . . ?
O2 Eu1 N2 118.89(4) . . ?
N1 Eu1 N2 63.37(5) . . ?
C37 O5 Eu1 133.00(11) . . ?
C7 O1 Eu1 134.46(11) . . ?
C24 O4 Eu1 132.90(11) . . ?
C39 O6 Eu1 133.29(11) . . ?
C22 O3 Eu1 133.84(12) . . ?
C9 O2 Eu1 134.57(12) . . ?
C46 N1 Eu1 120.06(11) . . ?
C46 N1 C57 118.14(15) . . ?
C57 N1 Eu1 121.71(11) . . ?
C56 N2 Eu1 119.26(11) . . ?
C55 N2 Eu1 123.12(12) . . ?
C55 N2 C56 117.51(15) . . ?
N1 C46 H46 118.5 . . ?
N1 C46 C47 123.05(16) . . ?
C47 C46 H46 118.5 . . ?
O5 C37 C31 114.29(15) . . ?
O5 C37 C38 126.05(16) . . ?
C38 C37 C31 119.63(16) . . ?
F3 C4 C5 120.09(18) . . ?
F3 C4 C3 119.74(18) . . ?
C5 C4 C3 120.16(17) . . ?
F18 C28 C27 120.10(17) . . ?
F18 C28 C29 120.43(17) . . ?
C29 C28 C27 119.47(17) . . ?
N1 C57 C56 117.72(15) . . ?
N1 C57 C49 122.38(15) . . ?
C49 C57 C56 119.90(15) . . ?
O2 C9 C10 116.40(16) . . ?
O2 C9 C8 125.27(16) . . ?
C8 C9 C10 118.33(16) . . ?
C46 C47 H47 120.4 . . ?
C48 C47 C46 119.24(16) . . ?
C48 C47 H47 120.4 . . ?
C17 C16 C22 120.87(17) . . ?
C21 C16 C17 116.53(17) . . ?
C21 C16 C22 122.44(17) . . ?
F30 C45 C40 119.34(16) . . ?
F30 C45 C44 118.20(16) . . ?
C44 C45 C40 122.45(17) . . ?
C15 C10 C9 120.97(17) . . ?
C15 C10 C11 116.31(17) . . ?
C11 C10 C9 122.66(18) . . ?
C54 C53 H53 120.6 . . ?
C54 C53 C52 118.89(17) . . ?
C52 C53 H53 120.6 . . ?
F11 C17 C16 120.54(17) . . ?
F11 C17 C18 117.33(18) . . ?
C18 C17 C16 122.08(19) . . ?
C45 C40 C39 120.34(16) . . ?
C41 C40 C45 116.85(16) . . ?
C41 C40 C39 122.80(16) . . ?
C53 C54 H54 120.6 . . ?
C53 C54 C55 118.88(17) . . ?
C55 C54 H54 120.6 . . ?
C47 C48 H48 120.3 . . ?
C47 C48 C49 119.37(16) . . ?
C49 C48 H48 120.3 . . ?
N2 C56 C57 117.75(15) . . ?
N2 C56 C52 122.81(16) . . ?
C52 C56 C57 119.44(15) . . ?
F29 C44 C45 120.14(17) . . ?
F29 C44 C43 120.57(16) . . ?
C43 C44 C45 119.29(17) . . ?
F24 C35 C36 120.97(17) . . ?
F24 C35 C34 119.09(16) . . ?
C34 C35 C36 119.90(17) . . ?
O4 C24 C25 115.12(15) . . ?
O4 C24 C23 126.87(16) . . ?
C23 C24 C25 118.01(15) . . ?
F20 C30 C25 119.86(16) . . ?
F20 C30 C29 117.83(16) . . ?
C29 C30 C25 122.31(17) . . ?
F10 C15 C10 120.70(16) . . ?
F10 C15 C14 116.84(18) . . ?
C14 C15 C10 122.41(19) . . ?
C30 C25 C24 120.81(15) . . ?
C26 C25 C24 122.75(16) . . ?
C26 C25 C30 116.26(16) . . ?
C36 C31 C37 124.13(16) . . ?
C36 C31 C32 117.23(16) . . ?
C32 C31 C37 118.32(16) . . ?
C6 C1 C7 121.70(16) . . ?
C2 C1 C6 117.77(16) . . ?
C2 C1 C7 120.42(16) . . ?
N2 C55 C54 123.68(17) . . ?
N2 C55 H55 118.2 . . ?
C54 C55 H55 118.2 . . ?
F17 C27 C28 119.84(16) . . ?
F17 C27 C26 120.50(17) . . ?
C26 C27 C28 119.64(17) . . ?
F16 C26 C25 120.43(16) . . ?
F16 C26 C27 117.20(16) . . ?
C27 C26 C25 122.37(17) . . ?
C37 C38 H38 119.0 . . ?
C37 C38 C39 122.07(17) . . ?
C39 C38 H38 119.0 . . ?
F25 C36 C35 118.67(16) . . ?
F25 C36 C31 119.95(15) . . ?
C31 C36 C35 121.32(16) . . ?
C52 C51 H51 119.3 . . ?
C50 C51 H51 119.3 . . ?
C50 C51 C52 121.31(16) . . ?
F5 C6 C1 120.23(16) . . ?
F5 C6 C5 118.09(16) . . ?
C1 C6 C5 121.67(17) . . ?
F22 C33 C34 120.37(16) . . ?
F22 C33 C32 120.48(17) . . ?
C34 C33 C32 119.13(17) . . ?
F26 C41 C40 119.60(16) . . ?
F26 C41 C42 118.40(17) . . ?
C42 C41 C40 122.00(18) . . ?
F23 C34 C35 119.62(17) . . ?
F23 C34 C33 120.38(17) . . ?
C33 C34 C35 119.96(16) . . ?
O1 C7 C1 114.97(15) . . ?
O1 C7 C8 128.07(16) . . ?
C8 C7 C1 116.95(16) . . ?
C24 C23 H23 118.8 . . ?
C24 C23 C22 122.46(16) . . ?
C22 C23 H23 118.8 . . ?
C9 C8 H8 118.9 . . ?
C7 C8 C9 122.21(17) . . ?
C7 C8 H8 118.9 . . ?
C53 C52 C51 122.51(16) . . ?
C56 C52 C53 118.23(16) . . ?
C56 C52 C51 119.26(16) . . ?
F27 C42 C41 121.15(18) . . ?
F27 C42 C43 119.50(17) . . ?
C41 C42 C43 119.35(17) . . ?
C57 C49 C48 117.82(16) . . ?
C57 C49 C50 119.29(16) . . ?
C48 C49 C50 122.89(16) . . ?
F4 C5 C4 120.06(17) . . ?
F4 C5 C6 120.60(17) . . ?
C4 C5 C6 119.34(17) . . ?
F28 C43 C44 120.30(17) . . ?
F28 C43 C42 119.64(17) . . ?
C44 C43 C42 120.05(17) . . ?
F2 C3 C4 119.84(17) . . ?
F2 C3 C2 120.82(18) . . ?
C4 C3 C2 119.31(18) . . ?
C51 C50 C49 120.80(17) . . ?
C51 C50 H50 119.6 . . ?
C49 C50 H50 119.6 . . ?
F15 C21 C16 120.81(17) . . ?
F15 C21 C20 116.91(18) . . ?
C20 C21 C16 122.24(19) . . ?
F1 C2 C1 119.70(16) . . ?
F1 C2 C3 118.57(17) . . ?
C1 C2 C3 121.72(18) . . ?
F14 C20 C21 120.71(19) . . ?
F14 C20 C19 119.74(18) . . ?
C19 C20 C21 119.55(19) . . ?
O6 C39 C40 116.60(15) . . ?
O6 C39 C38 126.97(16) . . ?
C38 C39 C40 116.41(15) . . ?
F21 C32 C31 118.98(16) . . ?
F21 C32 C33 118.56(16) . . ?
C33 C32 C31 122.45(17) . . ?
O3 C22 C16 115.21(16) . . ?
O3 C22 C23 126.03(16) . . ?
C23 C22 C16 118.75(16) . . ?
F19 C29 C28 119.67(16) . . ?
F19 C29 C30 120.47(17) . . ?
C28 C29 C30 119.85(17) . . ?
F12 C18 C17 120.6(2) . . ?
F12 C18 C19 119.90(18) . . ?
C19 C18 C17 119.54(19) . . ?
F6 C11 C10 120.74(18) . . ?
F6 C11 C12 116.85(19) . . ?
C12 C11 C10 122.3(2) . . ?
F13 C19 C20 120.2(2) . . ?
F13 C19 C18 119.8(2) . . ?
C20 C19 C18 120.04(18) . . ?
F9 C14 C15 120.7(2) . . ?
F9 C14 C13 119.92(18) . . ?
C13 C14 C15 119.3(2) . . ?
F8 C13 C14 119.5(2) . . ?
F8 C13 C12 120.2(2) . . ?
C12 C13 C14 120.25(19) . . ?
F7 C12 C11 120.2(2) . . ?
F7 C12 C13 120.4(2) . . ?
C13 C12 C11 119.4(2) . . ?

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 O5 C37 C31 -149.71(12) . . . . ?
Eu1 O5 C37 C38 28.3(3) . . . . ?
Eu1 O1 C7 C1 -170.07(11) . . . . ?
Eu1 O1 C7 C8 8.5(3) . . . . ?
Eu1 O4 C24 C25 179.91(11) . . . . ?
Eu1 O4 C24 C23 0.4(3) . . . . ?
Eu1 O6 C39 C40 171.27(11) . . . . ?
Eu1 O6 C39 C38 -10.2(3) . . . . ?
Eu1 O3 C22 C16 154.93(12) . . . . ?
Eu1 O3 C22 C23 -26.3(3) . . . . ?
Eu1 O2 C9 C10 161.07(12) . . . . ?
Eu1 O2 C9 C8 -18.8(3) . . . . ?
Eu1 N1 C46 C47 -176.73(13) . . . . ?
Eu1 N1 C57 C56 -3.6(2) . . . . ?
Eu1 N1 C57 C49 176.67(12) . . . . ?
Eu1 N2 C56 C57 3.41(19) . . . . ?
Eu1 N2 C56 C52 -176.85(12) . . . . ?
Eu1 N2 C55 C54 176.88(13) . . . . ?
F29 C44 C43 F28 -0.3(3) . . . . ?
F29 C44 C43 C42 -179.80(17) . . . . ?
F10 C15 C14 F9 -1.4(3) . . . . ?
F10 C15 C14 C13 178.47(18) . . . . ?
F20 C30 C25 C24 6.0(3) . . . . ?
F20 C30 C25 C26 -178.78(16) . . . . ?
F20 C30 C29 F19 0.0(3) . . . . ?
F20 C30 C29 C28 -178.83(16) . . . . ?
F30 C45 C40 C41 -178.94(16) . . . . ?
F30 C45 C40 C39 0.7(2) . . . . ?
F30 C45 C44 F29 -1.4(3) . . . . ?
F30 C45 C44 C43 179.25(16) . . . . ?
F5 C6 C5 F4 0.9(3) . . . . ?
F5 C6 C5 C4 -178.92(17) . . . . ?
F24 C35 C36 F25 0.0(3) . . . . ?
F24 C35 C36 C31 -177.30(16) . . . . ?
F24 C35 C34 F23 0.3(3) . . . . ?
F24 C35 C34 C33 177.81(16) . . . . ?
F18 C28 C27 F17 0.2(3) . . . . ?
F18 C28 C27 C26 179.18(16) . . . . ?
F18 C28 C29 F19 -0.3(3) . . . . ?
F18 C28 C29 C30 178.58(16) . . . . ?
F22 C33 C34 F23 -0.6(3) . . . . ?
F22 C33 C34 C35 -178.12(17) . . . . ?
F22 C33 C32 F21 -1.9(3) . . . . ?
F22 C33 C32 C31 177.17(17) . . . . ?
F3 C4 C5 F4 0.1(3) . . . . ?
F3 C4 C5 C6 179.96(17) . . . . ?
F3 C4 C3 F2 0.5(3) . . . . ?
F3 C4 C3 C2 178.58(17) . . . . ?
F17 C27 C26 F16 2.1(3) . . . . ?
F17 C27 C26 C25 -177.99(16) . . . . ?
F26 C41 C42 F27 -0.6(3) . . . . ?
F26 C41 C42 C43 -179.93(17) . . . . ?
F27 C42 C43 F28 1.6(3) . . . . ?
F27 C42 C43 C44 -178.97(17) . . . . ?
F15 C21 C20 F14 -1.1(3) . . . . ?
F15 C21 C20 C19 179.20(18) . . . . ?
F11 C17 C18 F12 -1.1(3) . . . . ?
F11 C17 C18 C19 178.28(19) . . . . ?
O5 C37 C31 C36 -102.0(2) . . . . ?
O5 C37 C31 C32 71.4(2) . . . . ?
O5 C37 C38 C39 -2.2(3) . . . . ?
O1 C7 C8 C9 1.0(3) . . . . ?
O4 C24 C25 C30 56.7(2) . . . . ?
O4 C24 C25 C26 -118.23(19) . . . . ?
O4 C24 C23 C22 7.6(3) . . . . ?
F14 C20 C19 F13 -1.2(3) . . . . ?
F14 C20 C19 C18 179.2(2) . . . . ?
F6 C11 C12 F7 -1.8(3) . . . . ?
F6 C11 C12 C13 177.5(2) . . . . ?
F2 C3 C2 F1 0.2(3) . . . . ?
F2 C3 C2 C1 179.35(18) . . . . ?
F12 C18 C19 F13 -0.2(3) . . . . ?
F12 C18 C19 C20 179.4(2) . . . . ?
F9 C14 C13 F8 -1.2(3) . . . . ?
F9 C14 C13 C12 179.4(2) . . . . ?
F8 C13 C12 F7 -0.6(3) . . . . ?
F8 C13 C12 C11 -179.8(2) . . . . ?
O2 C9 C10 C15 39.4(3) . . . . ?
O2 C9 C10 C11 -137.78(19) . . . . ?
O2 C9 C8 C7 4.1(3) . . . . ?
N1 C46 C47 C48 0.0(3) . . . . ?
N1 C57 C56 N2 0.0(2) . . . . ?
N1 C57 C56 C52 -179.71(15) . . . . ?
N1 C57 C49 C48 0.0(2) . . . . ?
N1 C57 C49 C50 -179.96(15) . . . . ?
N2 C56 C52 C53 0.1(2) . . . . ?
N2 C56 C52 C51 179.73(16) . . . . ?
C46 N1 C57 C56 179.89(15) . . . . ?
C46 N1 C57 C49 0.2(2) . . . . ?
C46 C47 C48 C49 0.3(3) . . . . ?
C37 C31 C36 F25 -4.8(3) . . . . ?
C37 C31 C36 C35 172.39(17) . . . . ?
C37 C31 C32 F21 6.8(3) . . . . ?
C37 C31 C32 C33 -172.30(17) . . . . ?
C37 C38 C39 O6 -6.6(3) . . . . ?
C37 C38 C39 C40 171.88(17) . . . . ?
C4 C3 C2 F1 -177.84(18) . . . . ?
C4 C3 C2 C1 1.3(3) . . . . ?
C28 C27 C26 F16 -176.88(16) . . . . ?
C28 C27 C26 C25 3.1(3) . . . . ?
C57 N1 C46 C47 -0.2(2) . . . . ?
C57 C56 C52 C53 179.81(15) . . . . ?
C57 C56 C52 C51 -0.5(2) . . . . ?
C57 C49 C50 C51 -0.1(3) . . . . ?
C9 C10 C15 F10 4.4(3) . . . . ?
C9 C10 C15 C14 -178.41(18) . . . . ?
C9 C10 C11 F6 0.7(3) . . . . ?
C9 C10 C11 C12 177.47(19) . . . . ?
C47 C48 C49 C57 -0.3(2) . . . . ?
C47 C48 C49 C50 179.72(17) . . . . ?
C16 C17 C18 F12 -178.5(2) . . . . ?
C16 C17 C18 C19 0.8(3) . . . . ?
C16 C21 C20 F14 -178.89(18) . . . . ?
C16 C21 C20 C19 1.4(3) . . . . ?
C45 C40 C41 F26 179.68(16) . . . . ?
C45 C40 C41 C42 -0.2(3) . . . . ?
C45 C40 C39 O6 75.5(2) . . . . ?
C45 C40 C39 C38 -103.2(2) . . . . ?
C45 C44 C43 F28 179.01(16) . . . . ?
C45 C44 C43 C42 -0.4(3) . . . . ?
C10 C9 C8 C7 -175.75(17) . . . . ?
C10 C15 C14 F9 -178.62(18) . . . . ?
C10 C15 C14 C13 1.2(3) . . . . ?
C10 C11 C12 F7 -178.7(2) . . . . ?
C10 C11 C12 C13 0.6(3) . . . . ?
C53 C54 C55 N2 -0.4(3) . . . . ?
C17 C16 C21 F15 -178.27(17) . . . . ?
C17 C16 C21 C20 -0.5(3) . . . . ?
C17 C16 C22 O3 41.3(2) . . . . ?
C17 C16 C22 C23 -137.6(2) . . . . ?
C17 C18 C19 F13 -179.6(2) . . . . ?
C17 C18 C19 C20 0.0(3) . . . . ?
C40 C45 C44 F29 179.54(16) . . . . ?
C40 C45 C44 C43 0.2(3) . . . . ?
C40 C41 C42 F27 179.26(17) . . . . ?
C40 C41 C42 C43 -0.1(3) . . . . ?
C54 C53 C52 C56 0.2(3) . . . . ?
C54 C53 C52 C51 -179.44(17) . . . . ?
C48 C49 C50 C51 179.89(17) . . . . ?
C56 N2 C55 C54 0.7(3) . . . . ?
C56 C57 C49 C48 -179.65(15) . . . . ?
C56 C57 C49 C50 0.4(2) . . . . ?
C44 C45 C40 C41 0.1(3) . . . . ?
C44 C45 C40 C39 179.73(16) . . . . ?
C24 C25 C26 F16 -8.0(3) . . . . ?
C24 C25 C26 C27 171.99(16) . . . . ?
C24 C23 C22 O3 5.0(3) . . . . ?
C24 C23 C22 C16 -176.24(17) . . . . ?
C30 C25 C26 F16 176.80(15) . . . . ?
C30 C25 C26 C27 -3.2(3) . . . . ?
C15 C10 C11 F6 -176.61(18) . . . . ?
C15 C10 C11 C12 0.2(3) . . . . ?
C15 C14 C13 F8 178.97(18) . . . . ?
C15 C14 C13 C12 -0.4(3) . . . . ?
C25 C24 C23 C22 -171.92(17) . . . . ?
C25 C30 C29 F19 -179.63(16) . . . . ?
C25 C30 C29 C28 1.5(3) . . . . ?
C31 C37 C38 C39 175.74(17) . . . . ?
C1 C6 C5 F4 -178.41(17) . . . . ?
C1 C6 C5 C4 1.7(3) . . . . ?
C1 C7 C8 C9 179.62(17) . . . . ?
C55 N2 C56 C57 179.75(15) . . . . ?
C55 N2 C56 C52 -0.5(2) . . . . ?
C27 C28 C29 F19 179.48(16) . . . . ?
C27 C28 C29 C30 -1.7(3) . . . . ?
C38 C37 C31 C36 79.8(2) . . . . ?
C38 C37 C31 C32 -106.8(2) . . . . ?
C36 C35 C34 F23 -177.18(16) . . . . ?
C36 C35 C34 C33 0.3(3) . . . . ?
C36 C31 C32 F21 -179.39(16) . . . . ?
C36 C31 C32 C33 1.5(3) . . . . ?
C6 C1 C7 O1 -98.5(2) . . . . ?
C6 C1 C7 C8 82.7(2) . . . . ?
C6 C1 C2 F1 178.67(17) . . . . ?
C6 C1 C2 C3 -0.4(3) . . . . ?
C41 C40 C39 O6 -104.9(2) . . . . ?
C41 C40 C39 C38 76.4(2) . . . . ?
C41 C42 C43 F28 -179.06(17) . . . . ?
C41 C42 C43 C44 0.4(3) . . . . ?
C34 C35 C36 F25 177.41(16) . . . . ?
C34 C35 C36 C31 0.2(3) . . . . ?
C34 C33 C32 F21 179.81(16) . . . . ?
C34 C33 C32 C31 -1.1(3) . . . . ?
C7 C1 C6 F5 -4.2(3) . . . . ?
C7 C1 C6 C5 175.18(17) . . . . ?
C7 C1 C2 F1 2.4(3) . . . . ?
C7 C1 C2 C3 -176.74(17) . . . . ?
C23 C24 C25 C30 -123.70(19) . . . . ?
C23 C24 C25 C26 61.4(2) . . . . ?
C8 C9 C10 C15 -140.69(19) . . . . ?
C8 C9 C10 C11 42.1(3) . . . . ?
C52 C53 C54 C55 0.0(3) . . . . ?
C52 C51 C50 C49 -0.5(3) . . . . ?
C49 C57 C56 N2 179.72(15) . . . . ?
C49 C57 C56 C52 0.0(2) . . . . ?
C5 C4 C3 F2 -178.70(18) . . . . ?
C5 C4 C3 C2 -0.6(3) . . . . ?
C3 C4 C5 F4 179.28(18) . . . . ?
C3 C4 C5 C6 -0.9(3) . . . . ?
C50 C51 C52 C53 -179.57(17) . . . . ?
C50 C51 C52 C56 0.8(3) . . . . ?
C21 C16 C17 F11 -177.93(18) . . . . ?
C21 C16 C17 C18 -0.6(3) . . . . ?
C21 C16 C22 O3 -133.86(19) . . . . ?
C21 C16 C22 C23 47.3(3) . . . . ?
C21 C20 C19 F13 178.50(19) . . . . ?
C21 C20 C19 C18 -1.1(3) . . . . ?
C2 C1 C6 F5 179.59(16) . . . . ?
C2 C1 C6 C5 -1.1(3) . . . . ?
C2 C1 C7 O1 77.6(2) . . . . ?
C2 C1 C7 C8 -101.1(2) . . . . ?
C39 C40 C41 F26 0.1(3) . . . . ?
C39 C40 C41 C42 -179.76(17) . . . . ?
C32 C31 C36 F25 -178.25(16) . . . . ?
C32 C31 C36 C35 -1.0(3) . . . . ?
C32 C33 C34 F23 177.62(17) . . . . ?
C32 C33 C34 C35 0.1(3) . . . . ?
C22 C16 C17 F11 6.6(3) . . . . ?
C22 C16 C17 C18 -176.01(19) . . . . ?
C22 C16 C21 F15 -2.9(3) . . . . ?
C22 C16 C21 C20 174.81(18) . . . . ?
C29 C28 C27 F17 -179.49(16) . . . . ?
C29 C28 C27 C26 -0.6(3) . . . . ?
C29 C30 C25 C24 -174.42(16) . . . . ?
C29 C30 C25 C26 0.8(3) . . . . ?
C11 C10 C15 F10 -178.22(17) . . . . ?
C11 C10 C15 C14 -1.1(3) . . . . ?
C14 C13 C12 F7 178.8(2) . . . . ?
C14 C13 C12 C11 -0.4(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_q_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2492489'
loop_
_audit_author_name
_audit_author_address
'Victoria Gontcharenko'
;MSU
Russia
;
_audit_update_record             
;
2025-09-30 deposited with the CCDC.	2026-06-03 downloaded from the CCDC.
;
_audit_creation_date             2025-09-30
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C57 H11 F30 Gd N2 O6'
_chemical_formula_sum            'C57 H11 F30 Gd N2 O6'
_chemical_formula_weight         1546.93
_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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 '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                   11.9449(3)
_cell_length_b                   13.2468(3)
_cell_length_c                   17.6143(5)
_cell_angle_alpha                82.6380(10)
_cell_angle_beta                 71.4250(10)
_cell_angle_gamma                85.2550(10)
_cell_volume                     2617.57(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9986
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      30.42
_cell_measurement_theta_min      2.32
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.432
_exptl_absorpt_correction_T_max  0.6478
_exptl_absorpt_correction_T_min  0.5508
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0868 before and 0.0474 after correction.
The Ratio of minimum to maximum transmission is 0.8503.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.963
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1498
_exptl_crystal_size_max          0.139
_exptl_crystal_size_mid          0.122
_exptl_crystal_size_min          0.107
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0425
_diffrn_reflns_av_unetI/netI     0.0736
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            29683
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.548
_diffrn_reflns_theta_min         1.552
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker D8 Quest with Photon III Detector'
_diffrn_measurement_method       'φ and ω shutterless scans'
_diffrn_radiation_monochromator  ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13252
_reflns_number_total             15890
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_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         1.257
_refine_diff_density_min         -0.959
_refine_diff_density_rms         0.130
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     865
_refine_ls_number_reflns         15890
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0545
_refine_ls_R_factor_gt           0.0409
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0282P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0802
_refine_ls_wR_factor_ref         0.0847
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C46(H46), C47(H47), C53(H53), C48(H48), C54(H54), C51(H51), C55(H55), C8(H8),
 C23(H23), C38(H38), C50(H50)
;
_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
Gd1 Gd 0.44390(2) 0.72432(2) 0.18849(2) 0.01012(4) Uani 1 1 d . . . . .
F30 F 0.72208(15) 0.45300(12) 0.02191(10) 0.0208(4) Uani 1 1 d . . . . .
F10 F 0.11059(16) 0.95550(13) 0.28828(11) 0.0257(4) Uani 1 1 d . . . . .
F29 F 0.79673(15) 0.25657(12) 0.01289(11) 0.0229(4) Uani 1 1 d . . . . .
F20 F 0.33778(15) 1.04620(13) 0.30620(10) 0.0210(4) Uani 1 1 d . . . . .
F16 F 0.61217(15) 0.87504(12) 0.42597(10) 0.0204(4) Uani 1 1 d . . . . .
F18 F 0.57246(17) 1.23046(13) 0.40154(11) 0.0262(4) Uani 1 1 d . . . . .
F22 F 0.85721(16) 0.97554(14) 0.28094(11) 0.0264(4) Uani 1 1 d . . . . .
F28 F 0.83543(15) 0.14270(12) 0.14312(11) 0.0251(4) Uani 1 1 d . . . . .
F21 F 0.71890(15) 0.82624(14) 0.27888(10) 0.0242(4) Uani 1 1 d . . . . .
F5 F 0.06807(15) 0.58868(13) 0.11251(11) 0.0240(4) Uani 1 1 d . . . . .
F3 F 0.06249(17) 0.23209(13) 0.14595(12) 0.0297(4) Uani 1 1 d . . . . .
F17 F 0.67958(15) 1.05412(13) 0.44611(10) 0.0238(4) Uani 1 1 d . . . . .
F24 F 1.08939(15) 0.92907(13) 0.01598(11) 0.0242(4) Uani 1 1 d . . . . .
F25 F 0.94685(15) 0.78226(14) 0.01255(10) 0.0242(4) Uani 1 1 d . . . . .
F23 F 1.04472(15) 1.02598(13) 0.14824(11) 0.0252(4) Uani 1 1 d . . . . .
F1 F 0.25082(17) 0.39732(13) 0.28821(11) 0.0282(4) Uani 1 1 d . . . . .
F4 F 0.00736(16) 0.41510(14) 0.07404(12) 0.0292(4) Uani 1 1 d . . . . .
F19 F 0.39874(17) 1.22466(13) 0.33375(10) 0.0255(4) Uani 1 1 d . . . . .
F26 F 0.72397(17) 0.42489(14) 0.29074(11) 0.0276(4) Uani 1 1 d . . . . .
F11 F 0.48386(17) 0.47447(14) 0.40199(11) 0.0318(5) Uani 1 1 d . . . . .
F15 F 0.18289(16) 0.71568(14) 0.51900(11) 0.0286(4) Uani 1 1 d . . . . .
O5 O 0.64173(16) 0.77227(14) 0.14087(11) 0.0149(4) Uani 1 1 d . . . . .
F27 F 0.80170(17) 0.22777(14) 0.28064(11) 0.0309(4) Uani 1 1 d . . . . .
F14 F 0.08258(17) 0.57129(16) 0.63624(12) 0.0359(5) Uani 1 1 d . . . . .
F6 F 0.00491(18) 0.63926(15) 0.44448(12) 0.0333(5) Uani 1 1 d . . . . .
O4 O 0.46711(16) 0.85223(14) 0.26501(11) 0.0146(4) Uani 1 1 d . . . . .
F2 F 0.18348(18) 0.22336(13) 0.25332(12) 0.0318(5) Uani 1 1 d . . . . .
O1 O 0.31111(17) 0.60936(14) 0.18122(11) 0.0163(4) Uani 1 1 d . . . . .
F9 F -0.04298(18) 1.05149(15) 0.40517(13) 0.0362(5) Uani 1 1 d . . . . .
O6 O 0.57016(16) 0.57380(14) 0.16536(11) 0.0143(4) Uani 1 1 d . . . . .
F12 F 0.3799(2) 0.33257(15) 0.52035(14) 0.0453(6) Uani 1 1 d . . . . .
F13 F 0.18119(18) 0.37965(15) 0.63857(12) 0.0383(5) Uani 1 1 d . . . . .
F8 F -0.17449(17) 0.94419(18) 0.54142(12) 0.0427(6) Uani 1 1 d . . . . .
F7 F -0.1499(2) 0.73733(19) 0.55909(12) 0.0493(6) Uani 1 1 d . . . . .
O2 O 0.25142(16) 0.78131(14) 0.26437(11) 0.0151(4) Uani 1 1 d . . . . .
O3 O 0.42038(18) 0.64668(14) 0.31723(11) 0.0184(4) Uani 1 1 d . . . . .
N1 N 0.39012(19) 0.88081(16) 0.10629(13) 0.0124(4) Uani 1 1 d . . . . .
N2 N 0.4889(2) 0.71254(16) 0.03472(13) 0.0134(4) Uani 1 1 d . . . . .
C46 C 0.3413(2) 0.9639(2) 0.14166(16) 0.0146(5) Uani 1 1 d . . . . .
H46 H 0.331017 0.963931 0.197409 0.018 Uiso 1 1 calc R U . . .
C40 C 0.7197(2) 0.4437(2) 0.15659(17) 0.0149(5) Uani 1 1 d . . . . .
C37 C 0.7374(2) 0.7285(2) 0.14616(16) 0.0142(5) Uani 1 1 d . . . . .
C47 C 0.3046(2) 1.0510(2) 0.10053(17) 0.0156(5) Uani 1 1 d . . . . .
H47 H 0.270321 1.108567 0.128131 0.019 Uiso 1 1 calc R U . . .
C28 C 0.5408(3) 1.1409(2) 0.38956(16) 0.0180(6) Uani 1 1 d . . . . .
C4 C 0.0932(3) 0.3185(2) 0.16462(19) 0.0207(6) Uani 1 1 d . . . . .
C45 C 0.7404(2) 0.3983(2) 0.08665(17) 0.0153(5) Uani 1 1 d . . . . .
C57 C 0.4037(2) 0.88202(19) 0.02647(15) 0.0118(5) Uani 1 1 d . . . . .
C16 C 0.3374(3) 0.6010(2) 0.45560(17) 0.0173(6) Uani 1 1 d . . . . .
C9 C 0.1540(2) 0.7408(2) 0.29559(16) 0.0147(5) Uani 1 1 d . . . . .
C53 C 0.5243(2) 0.7011(2) -0.12869(16) 0.0171(6) Uani 1 1 d . . . . .
H53 H 0.536904 0.696795 -0.184234 0.021 Uiso 1 1 calc R U . . .
C35 C 0.9992(2) 0.9010(2) 0.08123(17) 0.0158(5) Uani 1 1 d . . . . .
C48 C 0.3183(2) 1.0527(2) 0.02031(17) 0.0164(5) Uani 1 1 d . . . . .
H48 H 0.294386 1.111712 -0.008459 0.020 Uiso 1 1 calc R U . . .
C44 C 0.7794(2) 0.2981(2) 0.08098(17) 0.0161(5) Uani 1 1 d . . . . .
C56 C 0.4566(2) 0.79221(19) -0.01160(16) 0.0118(5) Uani 1 1 d . . . . .
C17 C 0.3836(3) 0.5011(2) 0.45818(18) 0.0222(6) Uani 1 1 d . . . . .
C54 C 0.5566(2) 0.6207(2) -0.08227(17) 0.0174(6) Uani 1 1 d . . . . .
H54 H 0.591588 0.559959 -0.104920 0.021 Uiso 1 1 calc R U . . .
C10 C 0.0633(2) 0.7936(2) 0.36108(17) 0.0170(6) Uani 1 1 d . . . . .
C51 C 0.4348(3) 0.8772(2) -0.13842(16) 0.0172(6) Uani 1 1 d . . . . .
H51 H 0.444478 0.875338 -0.193892 0.021 Uiso 1 1 calc R U . . .
C32 C 0.8104(2) 0.8504(2) 0.21360(17) 0.0153(5) Uani 1 1 d . . . . .
C15 C 0.0499(3) 0.8994(2) 0.35470(17) 0.0197(6) Uani 1 1 d . . . . .
C55 C 0.5373(2) 0.6295(2) -0.00039(17) 0.0163(5) Uani 1 1 d . . . . .
H55 H 0.559958 0.573143 0.031547 0.020 Uiso 1 1 calc R U . . .
C26 C 0.5603(2) 0.9600(2) 0.39994(16) 0.0158(5) Uani 1 1 d . . . . .
C33 C 0.8818(3) 0.9256(2) 0.21569(18) 0.0192(6) Uani 1 1 d . . . . .
C49 C 0.3682(2) 0.9663(2) -0.01913(16) 0.0135(5) Uani 1 1 d . . . . .
C34 C 0.9767(2) 0.9515(2) 0.14843(18) 0.0178(6) Uani 1 1 d . . . . .
C1 C 0.1607(2) 0.4966(2) 0.20139(17) 0.0154(5) Uani 1 1 d . . . . .
C27 C 0.5950(2) 1.0518(2) 0.41169(17) 0.0177(6) Uani 1 1 d . . . . .
C31 C 0.8297(2) 0.7999(2) 0.14598(17) 0.0143(5) Uani 1 1 d . . . . .
C25 C 0.4751(2) 0.9537(2) 0.36229(15) 0.0144(5) Uani 1 1 d . . . . .
C36 C 0.9259(2) 0.8266(2) 0.08021(17) 0.0157(5) Uani 1 1 d . . . . .
C41 C 0.7410(2) 0.3844(2) 0.22163(18) 0.0183(6) Uani 1 1 d . . . . .
C6 C 0.0976(2) 0.4988(2) 0.14810(17) 0.0168(6) Uani 1 1 d . . . . .
C8 C 0.1239(3) 0.6498(2) 0.27440(18) 0.0199(6) Uani 1 1 d . . . . .
H8 H 0.046044 0.626819 0.299182 0.024 Uiso 1 1 calc R U . . .
C42 C 0.7807(3) 0.2832(2) 0.21749(18) 0.0198(6) Uani 1 1 d . . . . .
C7 C 0.2038(2) 0.5932(2) 0.21888(17) 0.0156(5) Uani 1 1 d . . . . .
C43 C 0.7991(2) 0.2404(2) 0.14708(18) 0.0176(6) Uani 1 1 d . . . . .
C24 C 0.4475(2) 0.8545(2) 0.33972(16) 0.0148(5) Uani 1 1 d . . . . .
C21 C 0.2358(3) 0.6221(2) 0.51725(18) 0.0204(6) Uani 1 1 d . . . . .
C52 C 0.4723(2) 0.7904(2) -0.09413(16) 0.0153(5) Uani 1 1 d . . . . .
C23 C 0.4055(3) 0.7762(2) 0.40074(17) 0.0193(6) Uani 1 1 d . . . . .
H23 H 0.385880 0.790242 0.455126 0.023 Uiso 1 1 calc R U . . .
C38 C 0.7617(3) 0.6240(2) 0.15417(19) 0.0209(6) Uani 1 1 d . . . . .
H38 H 0.837873 0.599138 0.155913 0.025 Uiso 1 1 calc R U . . .
C30 C 0.4224(2) 1.0455(2) 0.34100(16) 0.0162(5) Uani 1 1 d . . . . .
C20 C 0.1822(3) 0.5488(2) 0.57776(18) 0.0237(6) Uani 1 1 d . . . . .
C50 C 0.3857(2) 0.9620(2) -0.10315(17) 0.0172(6) Uani 1 1 d . . . . .
H50 H 0.362672 1.019159 -0.134199 0.021 Uiso 1 1 calc R U . . .
C39 C 0.6769(2) 0.5545(2) 0.15973(16) 0.0142(5) Uani 1 1 d . . . . .
C2 C 0.1882(3) 0.4031(2) 0.23667(18) 0.0192(6) Uani 1 1 d . . . . .
C22 C 0.3911(2) 0.6782(2) 0.38566(16) 0.0159(5) Uani 1 1 d . . . . .
C29 C 0.4527(3) 1.1378(2) 0.35491(16) 0.0173(6) Uani 1 1 d . . . . .
C5 C 0.0656(3) 0.4109(2) 0.12800(18) 0.0201(6) Uani 1 1 d . . . . .
C19 C 0.2311(3) 0.4515(2) 0.57888(18) 0.0257(7) Uani 1 1 d . . . . .
C18 C 0.3319(3) 0.4271(2) 0.5188(2) 0.0275(7) Uani 1 1 d . . . . .
C3 C 0.1548(3) 0.3139(2) 0.21950(18) 0.0210(6) Uani 1 1 d . . . . .
C13 C -0.0975(3) 0.8952(3) 0.48291(19) 0.0307(8) Uani 1 1 d . . . . .
C11 C -0.0058(3) 0.7413(3) 0.43083(19) 0.0256(7) Uani 1 1 d . . . . .
C14 C -0.0310(3) 0.9502(3) 0.4144(2) 0.0256(7) Uani 1 1 d . . . . .
C12 C -0.0863(3) 0.7912(3) 0.49171(19) 0.0311(8) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Gd1 O5 2.3538(19) . ?
Gd1 O4 2.3803(18) . ?
Gd1 O1 2.3303(19) . ?
Gd1 O6 2.3949(18) . ?
Gd1 O2 2.3782(18) . ?
Gd1 O3 2.3072(19) . ?
Gd1 N1 2.532(2) . ?
Gd1 N2 2.611(2) . ?
F30 C45 1.340(3) . ?
F10 C15 1.331(3) . ?
F29 C44 1.333(3) . ?
F20 C30 1.338(3) . ?
F16 C26 1.339(3) . ?
F18 C28 1.336(3) . ?
F22 C33 1.339(3) . ?
F28 C43 1.334(3) . ?
F21 C32 1.335(3) . ?
F5 C6 1.347(3) . ?
F3 C4 1.340(3) . ?
F17 C27 1.338(3) . ?
F24 C35 1.337(3) . ?
F25 C36 1.339(3) . ?
F23 C34 1.328(3) . ?
F1 C2 1.340(3) . ?
F4 C5 1.338(3) . ?
F19 C29 1.341(3) . ?
F26 C41 1.343(3) . ?
F11 C17 1.342(3) . ?
F15 C21 1.344(3) . ?
O5 C37 1.263(3) . ?
F27 C42 1.333(3) . ?
F14 C20 1.343(3) . ?
F6 C11 1.346(4) . ?
O4 C24 1.265(3) . ?
F2 C3 1.338(3) . ?
O1 C7 1.263(3) . ?
F9 C14 1.332(4) . ?
O6 C39 1.255(3) . ?
F12 C18 1.334(4) . ?
F13 C19 1.343(3) . ?
F8 C13 1.340(3) . ?
F7 C12 1.339(4) . ?
O2 C9 1.251(3) . ?
O3 C22 1.259(3) . ?
N1 C46 1.334(3) . ?
N1 C57 1.361(3) . ?
N2 C56 1.356(3) . ?
N2 C55 1.330(3) . ?
C46 H46 0.9500 . ?
C46 C47 1.397(4) . ?
C40 C45 1.383(4) . ?
C40 C41 1.385(4) . ?
C40 C39 1.515(4) . ?
C37 C31 1.510(4) . ?
C37 C38 1.390(4) . ?
C47 H47 0.9500 . ?
C47 C48 1.367(4) . ?
C28 C27 1.372(4) . ?
C28 C29 1.380(4) . ?
C4 C5 1.375(4) . ?
C4 C3 1.382(4) . ?
C45 C44 1.374(4) . ?
C57 C56 1.440(4) . ?
C57 C49 1.407(4) . ?
C16 C17 1.392(4) . ?
C16 C21 1.382(4) . ?
C16 C22 1.503(4) . ?
C9 C10 1.509(4) . ?
C9 C8 1.412(4) . ?
C53 H53 0.9500 . ?
C53 C54 1.364(4) . ?
C53 C52 1.406(4) . ?
C35 C34 1.375(4) . ?
C35 C36 1.377(4) . ?
C48 H48 0.9500 . ?
C48 C49 1.406(4) . ?
C44 C43 1.383(4) . ?
C56 C52 1.408(4) . ?
C17 C18 1.377(4) . ?
C54 H54 0.9500 . ?
C54 C55 1.404(4) . ?
C10 C15 1.391(4) . ?
C10 C11 1.379(4) . ?
C51 H51 0.9500 . ?
C51 C52 1.428(4) . ?
C51 C50 1.353(4) . ?
C32 C33 1.374(4) . ?
C32 C31 1.387(4) . ?
C15 C14 1.386(4) . ?
C55 H55 0.9500 . ?
C26 C27 1.377(4) . ?
C26 C25 1.393(4) . ?
C33 C34 1.383(4) . ?
C49 C50 1.435(4) . ?
C1 C6 1.375(4) . ?
C1 C7 1.519(4) . ?
C1 C2 1.376(4) . ?
C31 C36 1.379(4) . ?
C25 C24 1.510(4) . ?
C25 C30 1.386(4) . ?
C41 C42 1.387(4) . ?
C6 C5 1.375(4) . ?
C8 H8 0.9500 . ?
C8 C7 1.380(4) . ?
C42 C43 1.376(4) . ?
C24 C23 1.393(4) . ?
C21 C20 1.376(4) . ?
C23 H23 0.9500 . ?
C23 C22 1.392(4) . ?
C38 H38 0.9500 . ?
C38 C39 1.396(4) . ?
C30 C29 1.375(4) . ?
C20 C19 1.371(4) . ?
C50 H50 0.9500 . ?
C2 C3 1.377(4) . ?
C19 C18 1.373(4) . ?
C13 C14 1.370(5) . ?
C13 C12 1.367(5) . ?
C11 C12 1.390(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
O5 Gd1 O4 71.10(6) . . ?
O5 Gd1 O6 71.37(6) . . ?
O5 Gd1 O2 141.81(6) . . ?
O5 Gd1 N1 88.79(7) . . ?
O5 Gd1 N2 80.13(7) . . ?
O4 Gd1 O6 123.72(6) . . ?
O4 Gd1 N1 80.64(7) . . ?
O4 Gd1 N2 134.02(7) . . ?
O1 Gd1 O5 145.28(6) . . ?
O1 Gd1 O4 143.06(6) . . ?
O1 Gd1 O6 79.42(6) . . ?
O1 Gd1 O2 72.55(6) . . ?
O1 Gd1 N1 101.11(7) . . ?
O1 Gd1 N2 75.11(7) . . ?
O6 Gd1 N1 137.89(7) . . ?
O6 Gd1 N2 76.63(7) . . ?
O2 Gd1 O4 72.63(6) . . ?
O2 Gd1 O6 141.94(6) . . ?
O2 Gd1 N1 73.86(7) . . ?
O2 Gd1 N2 118.74(7) . . ?
O3 Gd1 O5 104.48(7) . . ?
O3 Gd1 O4 73.42(6) . . ?
O3 Gd1 O1 86.46(7) . . ?
O3 Gd1 O6 77.23(7) . . ?
O3 Gd1 O2 75.85(7) . . ?
O3 Gd1 N1 144.75(7) . . ?
O3 Gd1 N2 150.30(7) . . ?
N1 Gd1 N2 63.30(7) . . ?
C37 O5 Gd1 133.22(17) . . ?
C24 O4 Gd1 132.53(17) . . ?
C7 O1 Gd1 134.28(17) . . ?
C39 O6 Gd1 133.23(17) . . ?
C9 O2 Gd1 134.85(17) . . ?
C22 O3 Gd1 134.14(18) . . ?
C46 N1 Gd1 120.21(18) . . ?
C46 N1 C57 117.7(2) . . ?
C57 N1 Gd1 122.04(16) . . ?
C56 N2 Gd1 119.30(16) . . ?
C55 N2 Gd1 122.98(18) . . ?
C55 N2 C56 117.6(2) . . ?
N1 C46 H46 118.5 . . ?
N1 C46 C47 123.0(3) . . ?
C47 C46 H46 118.5 . . ?
C45 C40 C41 117.3(3) . . ?
C45 C40 C39 120.2(3) . . ?
C41 C40 C39 122.5(2) . . ?
O5 C37 C31 114.5(2) . . ?
O5 C37 C38 126.1(3) . . ?
C38 C37 C31 119.3(2) . . ?
C46 C47 H47 120.2 . . ?
C48 C47 C46 119.6(3) . . ?
C48 C47 H47 120.2 . . ?
F18 C28 C27 120.4(3) . . ?
F18 C28 C29 119.9(3) . . ?
C27 C28 C29 119.7(3) . . ?
F3 C4 C5 120.0(3) . . ?
F3 C4 C3 119.6(3) . . ?
C5 C4 C3 120.4(3) . . ?
F30 C45 C40 119.4(2) . . ?
F30 C45 C44 118.4(2) . . ?
C44 C45 C40 122.2(3) . . ?
N1 C57 C56 117.5(2) . . ?
N1 C57 C49 122.8(2) . . ?
C49 C57 C56 119.6(2) . . ?
C17 C16 C22 120.8(3) . . ?
C21 C16 C17 116.3(3) . . ?
C21 C16 C22 122.7(3) . . ?
O2 C9 C10 116.8(2) . . ?
O2 C9 C8 124.8(2) . . ?
C8 C9 C10 118.4(2) . . ?
C54 C53 H53 120.1 . . ?
C54 C53 C52 119.9(3) . . ?
C52 C53 H53 120.1 . . ?
F24 C35 C34 118.9(2) . . ?
F24 C35 C36 120.9(3) . . ?
C34 C35 C36 120.2(3) . . ?
C47 C48 H48 120.4 . . ?
C47 C48 C49 119.2(3) . . ?
C49 C48 H48 120.4 . . ?
F29 C44 C45 120.5(3) . . ?
F29 C44 C43 120.2(2) . . ?
C45 C44 C43 119.3(3) . . ?
N2 C56 C57 117.7(2) . . ?
N2 C56 C52 123.0(2) . . ?
C52 C56 C57 119.3(2) . . ?
F11 C17 C16 120.4(3) . . ?
F11 C17 C18 117.5(3) . . ?
C18 C17 C16 122.1(3) . . ?
C53 C54 H54 120.6 . . ?
C53 C54 C55 118.8(3) . . ?
C55 C54 H54 120.6 . . ?
C15 C10 C9 120.5(3) . . ?
C11 C10 C9 122.6(3) . . ?
C11 C10 C15 116.8(3) . . ?
C52 C51 H51 119.3 . . ?
C50 C51 H51 119.3 . . ?
C50 C51 C52 121.5(3) . . ?
F21 C32 C33 118.5(2) . . ?
F21 C32 C31 119.2(2) . . ?
C33 C32 C31 122.3(3) . . ?
F10 C15 C10 120.7(2) . . ?
F10 C15 C14 117.3(3) . . ?
C14 C15 C10 121.9(3) . . ?
N2 C55 C54 123.4(3) . . ?
N2 C55 H55 118.3 . . ?
C54 C55 H55 118.3 . . ?
F16 C26 C27 117.4(3) . . ?
F16 C26 C25 120.3(2) . . ?
C27 C26 C25 122.3(3) . . ?
F22 C33 C32 120.4(3) . . ?
F22 C33 C34 120.4(3) . . ?
C32 C33 C34 119.1(3) . . ?
C57 C49 C50 119.6(2) . . ?
C48 C49 C57 117.7(2) . . ?
C48 C49 C50 122.7(3) . . ?
F23 C34 C35 120.1(3) . . ?
F23 C34 C33 120.1(3) . . ?
C35 C34 C33 119.7(2) . . ?
C6 C1 C7 121.8(3) . . ?
C6 C1 C2 117.9(3) . . ?
C2 C1 C7 120.3(3) . . ?
F17 C27 C28 120.0(3) . . ?
F17 C27 C26 120.2(3) . . ?
C28 C27 C26 119.8(3) . . ?
C32 C31 C37 117.9(2) . . ?
C36 C31 C37 124.5(2) . . ?
C36 C31 C32 117.2(2) . . ?
C26 C25 C24 122.6(3) . . ?
C30 C25 C26 116.0(3) . . ?
C30 C25 C24 121.2(2) . . ?
F25 C36 C35 118.8(2) . . ?
F25 C36 C31 119.7(2) . . ?
C35 C36 C31 121.5(3) . . ?
F26 C41 C40 119.9(2) . . ?
F26 C41 C42 118.4(3) . . ?
C40 C41 C42 121.7(3) . . ?
F5 C6 C1 119.9(2) . . ?
F5 C6 C5 118.3(3) . . ?
C1 C6 C5 121.8(3) . . ?
C9 C8 H8 118.9 . . ?
C7 C8 C9 122.2(3) . . ?
C7 C8 H8 118.9 . . ?
F27 C42 C41 120.7(3) . . ?
F27 C42 C43 120.1(3) . . ?
C43 C42 C41 119.3(3) . . ?
O1 C7 C1 114.4(2) . . ?
O1 C7 C8 128.5(3) . . ?
C8 C7 C1 117.2(2) . . ?
F28 C43 C44 120.2(3) . . ?
F28 C43 C42 119.6(3) . . ?
C42 C43 C44 120.2(3) . . ?
O4 C24 C25 114.5(2) . . ?
O4 C24 C23 126.9(2) . . ?
C23 C24 C25 118.6(2) . . ?
F15 C21 C16 120.8(3) . . ?
F15 C21 C20 116.9(3) . . ?
C20 C21 C16 122.3(3) . . ?
C53 C52 C56 117.3(3) . . ?
C53 C52 C51 123.2(3) . . ?
C56 C52 C51 119.5(2) . . ?
C24 C23 H23 118.5 . . ?
C22 C23 C24 123.0(2) . . ?
C22 C23 H23 118.5 . . ?
C37 C38 H38 119.2 . . ?
C37 C38 C39 121.7(3) . . ?
C39 C38 H38 119.2 . . ?
F20 C30 C25 119.8(2) . . ?
F20 C30 C29 117.6(3) . . ?
C29 C30 C25 122.6(3) . . ?
F14 C20 C21 120.9(3) . . ?
F14 C20 C19 119.4(3) . . ?
C19 C20 C21 119.7(3) . . ?
C51 C50 C49 120.4(3) . . ?
C51 C50 H50 119.8 . . ?
C49 C50 H50 119.8 . . ?
O6 C39 C40 116.5(2) . . ?
O6 C39 C38 127.3(3) . . ?
C38 C39 C40 116.2(2) . . ?
F1 C2 C1 119.9(3) . . ?
F1 C2 C3 118.3(3) . . ?
C1 C2 C3 121.7(3) . . ?
O3 C22 C16 115.4(2) . . ?
O3 C22 C23 125.7(3) . . ?
C23 C22 C16 118.9(2) . . ?
F19 C29 C28 119.9(3) . . ?
F19 C29 C30 120.5(3) . . ?
C30 C29 C28 119.5(3) . . ?
F4 C5 C4 120.3(3) . . ?
F4 C5 C6 120.6(3) . . ?
C4 C5 C6 119.2(3) . . ?
F13 C19 C20 120.4(3) . . ?
F13 C19 C18 119.6(3) . . ?
C20 C19 C18 120.0(3) . . ?
F12 C18 C17 120.6(3) . . ?
F12 C18 C19 119.9(3) . . ?
C19 C18 C17 119.5(3) . . ?
F2 C3 C4 119.8(3) . . ?
F2 C3 C2 121.2(3) . . ?
C2 C3 C4 119.0(3) . . ?
F8 C13 C14 119.5(3) . . ?
F8 C13 C12 120.0(3) . . ?
C12 C13 C14 120.5(3) . . ?
F6 C11 C10 121.3(3) . . ?
F6 C11 C12 116.7(3) . . ?
C10 C11 C12 122.0(3) . . ?
F9 C14 C15 120.0(3) . . ?
F9 C14 C13 120.6(3) . . ?
C13 C14 C15 119.3(3) . . ?
F7 C12 C13 120.7(3) . . ?
F7 C12 C11 119.8(3) . . ?
C13 C12 C11 119.5(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Gd1 O5 C37 C31 -150.11(18) . . . . ?
Gd1 O5 C37 C38 27.9(4) . . . . ?
Gd1 O4 C24 C25 -179.78(16) . . . . ?
Gd1 O4 C24 C23 0.9(4) . . . . ?
Gd1 O1 C7 C1 -170.27(18) . . . . ?
Gd1 O1 C7 C8 7.8(5) . . . . ?
Gd1 O6 C39 C40 171.42(17) . . . . ?
Gd1 O6 C39 C38 -10.2(5) . . . . ?
Gd1 O2 C9 C10 160.57(18) . . . . ?
Gd1 O2 C9 C8 -18.9(4) . . . . ?
Gd1 O3 C22 C16 154.83(19) . . . . ?
Gd1 O3 C22 C23 -25.8(4) . . . . ?
Gd1 N1 C46 C47 -176.9(2) . . . . ?
Gd1 N1 C57 C56 -3.5(3) . . . . ?
Gd1 N1 C57 C49 176.35(19) . . . . ?
Gd1 N2 C56 C57 3.0(3) . . . . ?
Gd1 N2 C56 C52 -176.89(19) . . . . ?
Gd1 N2 C55 C54 176.9(2) . . . . ?
F30 C45 C44 F29 -0.9(4) . . . . ?
F30 C45 C44 C43 179.8(2) . . . . ?
F10 C15 C14 F9 -2.2(4) . . . . ?
F10 C15 C14 C13 178.4(3) . . . . ?
F29 C44 C43 F28 -0.2(4) . . . . ?
F29 C44 C43 C42 -179.7(2) . . . . ?
F20 C30 C29 F19 -0.2(4) . . . . ?
F20 C30 C29 C28 -179.0(2) . . . . ?
F16 C26 C27 F17 1.6(4) . . . . ?
F16 C26 C27 C28 -177.0(2) . . . . ?
F16 C26 C25 C24 -7.6(4) . . . . ?
F16 C26 C25 C30 177.0(2) . . . . ?
F18 C28 C27 F17 0.5(4) . . . . ?
F18 C28 C27 C26 179.1(2) . . . . ?
F18 C28 C29 F19 -0.3(4) . . . . ?
F18 C28 C29 C30 178.5(2) . . . . ?
F22 C33 C34 F23 0.3(4) . . . . ?
F22 C33 C34 C35 -178.5(3) . . . . ?
F21 C32 C33 F22 -2.2(4) . . . . ?
F21 C32 C33 C34 -179.9(3) . . . . ?
F21 C32 C31 C37 7.1(4) . . . . ?
F21 C32 C31 C36 -179.4(2) . . . . ?
F5 C6 C5 F4 0.4(4) . . . . ?
F5 C6 C5 C4 -179.0(3) . . . . ?
F3 C4 C5 F4 0.4(4) . . . . ?
F3 C4 C5 C6 179.8(2) . . . . ?
F3 C4 C3 F2 0.2(5) . . . . ?
F3 C4 C3 C2 178.5(3) . . . . ?
F24 C35 C34 F23 -0.7(4) . . . . ?
F24 C35 C34 C33 178.2(3) . . . . ?
F24 C35 C36 F25 0.3(4) . . . . ?
F24 C35 C36 C31 -177.3(2) . . . . ?
F1 C2 C3 F2 0.1(4) . . . . ?
F1 C2 C3 C4 -178.1(3) . . . . ?
F26 C41 C42 F27 -0.3(4) . . . . ?
F26 C41 C42 C43 -179.7(3) . . . . ?
F11 C17 C18 F12 -0.7(5) . . . . ?
F11 C17 C18 C19 178.2(3) . . . . ?
F15 C21 C20 F14 -1.1(4) . . . . ?
F15 C21 C20 C19 179.3(3) . . . . ?
O5 C37 C31 C32 70.9(3) . . . . ?
O5 C37 C31 C36 -102.0(3) . . . . ?
O5 C37 C38 C39 -2.0(5) . . . . ?
F27 C42 C43 F28 1.6(4) . . . . ?
F27 C42 C43 C44 -178.9(3) . . . . ?
F14 C20 C19 F13 -1.1(5) . . . . ?
F14 C20 C19 C18 179.0(3) . . . . ?
F6 C11 C12 F7 -1.2(5) . . . . ?
F6 C11 C12 C13 177.2(3) . . . . ?
O4 C24 C23 C22 7.2(5) . . . . ?
F13 C19 C18 F12 -0.4(5) . . . . ?
F13 C19 C18 C17 -179.3(3) . . . . ?
F8 C13 C14 F9 -0.6(5) . . . . ?
F8 C13 C14 C15 178.8(3) . . . . ?
F8 C13 C12 F7 -1.4(5) . . . . ?
F8 C13 C12 C11 -179.7(3) . . . . ?
O2 C9 C10 C15 39.4(4) . . . . ?
O2 C9 C10 C11 -137.7(3) . . . . ?
O2 C9 C8 C7 3.6(5) . . . . ?
N1 C46 C47 C48 0.1(4) . . . . ?
N1 C57 C56 N2 0.2(4) . . . . ?
N1 C57 C56 C52 -179.9(2) . . . . ?
N1 C57 C49 C48 0.9(4) . . . . ?
N1 C57 C49 C50 179.8(2) . . . . ?
N2 C56 C52 C53 -0.2(4) . . . . ?
N2 C56 C52 C51 179.3(2) . . . . ?
C46 N1 C57 C56 179.9(2) . . . . ?
C46 N1 C57 C49 -0.3(4) . . . . ?
C46 C47 C48 C49 0.6(4) . . . . ?
C40 C45 C44 F29 179.0(2) . . . . ?
C40 C45 C44 C43 -0.3(4) . . . . ?
C40 C41 C42 F27 179.4(3) . . . . ?
C40 C41 C42 C43 -0.1(4) . . . . ?
C37 C31 C36 F25 -5.2(4) . . . . ?
C37 C31 C36 C35 172.4(3) . . . . ?
C37 C38 C39 O6 -6.6(5) . . . . ?
C37 C38 C39 C40 171.8(3) . . . . ?
C47 C48 C49 C57 -1.1(4) . . . . ?
C47 C48 C49 C50 -179.9(2) . . . . ?
C45 C40 C41 F26 179.1(2) . . . . ?
C45 C40 C41 C42 -0.6(4) . . . . ?
C45 C40 C39 O6 76.0(3) . . . . ?
C45 C40 C39 C38 -102.6(3) . . . . ?
C45 C44 C43 F28 179.1(2) . . . . ?
C45 C44 C43 C42 -0.4(4) . . . . ?
C57 N1 C46 C47 -0.3(4) . . . . ?
C57 C56 C52 C53 -180.0(2) . . . . ?
C57 C56 C52 C51 -0.5(4) . . . . ?
C57 C49 C50 C51 0.8(4) . . . . ?
C16 C17 C18 F12 -178.6(3) . . . . ?
C16 C17 C18 C19 0.3(5) . . . . ?
C16 C21 C20 F14 -179.0(3) . . . . ?
C16 C21 C20 C19 1.4(5) . . . . ?
C9 C10 C15 F10 4.9(4) . . . . ?
C9 C10 C15 C14 -178.9(3) . . . . ?
C9 C10 C11 F6 0.6(5) . . . . ?
C9 C10 C11 C12 177.9(3) . . . . ?
C9 C8 C7 O1 1.9(5) . . . . ?
C9 C8 C7 C1 179.9(3) . . . . ?
C53 C54 C55 N2 -0.1(4) . . . . ?
C48 C49 C50 C51 179.6(3) . . . . ?
C56 N2 C55 C54 0.2(4) . . . . ?
C56 C57 C49 C48 -179.3(2) . . . . ?
C56 C57 C49 C50 -0.4(4) . . . . ?
C17 C16 C21 F15 -178.4(3) . . . . ?
C17 C16 C21 C20 -0.5(4) . . . . ?
C17 C16 C22 O3 41.7(4) . . . . ?
C17 C16 C22 C23 -137.7(3) . . . . ?
C54 C53 C52 C56 0.3(4) . . . . ?
C54 C53 C52 C51 -179.2(3) . . . . ?
C10 C9 C8 C7 -175.8(3) . . . . ?
C10 C15 C14 F9 -178.5(3) . . . . ?
C10 C15 C14 C13 2.1(5) . . . . ?
C10 C11 C12 F7 -178.7(3) . . . . ?
C10 C11 C12 C13 -0.3(5) . . . . ?
C32 C33 C34 F23 178.0(3) . . . . ?
C32 C33 C34 C35 -0.9(4) . . . . ?
C32 C31 C36 F25 -178.2(2) . . . . ?
C32 C31 C36 C35 -0.6(4) . . . . ?
C15 C10 C11 F6 -176.6(3) . . . . ?
C15 C10 C11 C12 0.8(5) . . . . ?
C55 N2 C56 C57 179.8(2) . . . . ?
C55 N2 C56 C52 -0.1(4) . . . . ?
C26 C25 C24 O4 -118.2(3) . . . . ?
C26 C25 C24 C23 61.2(4) . . . . ?
C26 C25 C30 F20 -178.5(2) . . . . ?
C26 C25 C30 C29 0.8(4) . . . . ?
C33 C32 C31 C37 -172.2(3) . . . . ?
C33 C32 C31 C36 1.2(4) . . . . ?
C49 C57 C56 N2 -179.6(2) . . . . ?
C49 C57 C56 C52 0.2(4) . . . . ?
C34 C35 C36 F25 176.9(3) . . . . ?
C34 C35 C36 C31 -0.8(4) . . . . ?
C1 C6 C5 F4 -177.9(3) . . . . ?
C1 C6 C5 C4 2.7(4) . . . . ?
C1 C2 C3 F2 179.1(3) . . . . ?
C1 C2 C3 C4 0.8(5) . . . . ?
C27 C28 C29 F19 179.5(2) . . . . ?
C27 C28 C29 C30 -1.7(4) . . . . ?
C27 C26 C25 C24 172.1(2) . . . . ?
C27 C26 C25 C30 -3.3(4) . . . . ?
C31 C37 C38 C39 176.0(3) . . . . ?
C31 C32 C33 F22 177.2(3) . . . . ?
C31 C32 C33 C34 -0.5(4) . . . . ?
C25 C26 C27 F17 -178.1(3) . . . . ?
C25 C26 C27 C28 3.3(4) . . . . ?
C25 C24 C23 C22 -172.0(3) . . . . ?
C25 C30 C29 F19 -179.6(2) . . . . ?
C25 C30 C29 C28 1.7(4) . . . . ?
C36 C35 C34 F23 -177.4(3) . . . . ?
C36 C35 C34 C33 1.5(4) . . . . ?
C41 C40 C45 F30 -179.4(2) . . . . ?
C41 C40 C45 C44 0.8(4) . . . . ?
C41 C40 C39 O6 -104.9(3) . . . . ?
C41 C40 C39 C38 76.5(4) . . . . ?
C41 C42 C43 F28 -178.9(3) . . . . ?
C41 C42 C43 C44 0.6(4) . . . . ?
C6 C1 C7 O1 -99.5(3) . . . . ?
C6 C1 C7 C8 82.2(4) . . . . ?
C6 C1 C2 F1 179.2(3) . . . . ?
C6 C1 C2 C3 0.3(4) . . . . ?
C8 C9 C10 C15 -141.1(3) . . . . ?
C8 C9 C10 C11 41.8(4) . . . . ?
C7 C1 C6 F5 -2.9(4) . . . . ?
C7 C1 C6 C5 175.4(3) . . . . ?
C7 C1 C2 F1 1.7(4) . . . . ?
C7 C1 C2 C3 -177.2(3) . . . . ?
C24 C25 C30 F20 6.1(4) . . . . ?
C24 C25 C30 C29 -174.6(2) . . . . ?
C24 C23 C22 O3 4.8(5) . . . . ?
C24 C23 C22 C16 -175.9(3) . . . . ?
C21 C16 C17 F11 -178.1(3) . . . . ?
C21 C16 C17 C18 -0.3(5) . . . . ?
C21 C16 C22 O3 -133.5(3) . . . . ?
C21 C16 C22 C23 47.1(4) . . . . ?
C21 C20 C19 F13 178.5(3) . . . . ?
C21 C20 C19 C18 -1.4(5) . . . . ?
C52 C53 C54 C55 -0.2(4) . . . . ?
C52 C51 C50 C49 -1.0(4) . . . . ?
C38 C37 C31 C32 -107.3(3) . . . . ?
C38 C37 C31 C36 79.8(4) . . . . ?
C30 C25 C24 O4 56.9(4) . . . . ?
C30 C25 C24 C23 -123.7(3) . . . . ?
C20 C19 C18 F12 179.5(3) . . . . ?
C20 C19 C18 C17 0.6(5) . . . . ?
C50 C51 C52 C53 -179.6(3) . . . . ?
C50 C51 C52 C56 0.9(4) . . . . ?
C39 C40 C45 F30 -0.2(4) . . . . ?
C39 C40 C45 C44 179.9(3) . . . . ?
C39 C40 C41 F26 -0.1(4) . . . . ?
C39 C40 C41 C42 -179.7(3) . . . . ?
C2 C1 C6 F5 179.6(2) . . . . ?
C2 C1 C6 C5 -2.1(4) . . . . ?
C2 C1 C7 O1 77.9(3) . . . . ?
C2 C1 C7 C8 -100.3(3) . . . . ?
C22 C16 C17 F11 6.4(4) . . . . ?
C22 C16 C17 C18 -175.8(3) . . . . ?
C22 C16 C21 F15 -3.0(4) . . . . ?
C22 C16 C21 C20 174.9(3) . . . . ?
C29 C28 C27 F17 -179.3(2) . . . . ?
C29 C28 C27 C26 -0.7(4) . . . . ?
C5 C4 C3 F2 -178.5(3) . . . . ?
C5 C4 C3 C2 -0.2(5) . . . . ?
C3 C4 C5 F4 179.1(3) . . . . ?
C3 C4 C5 C6 -1.5(5) . . . . ?
C11 C10 C15 F10 -177.9(3) . . . . ?
C11 C10 C15 C14 -1.7(4) . . . . ?
C14 C13 C12 F7 179.0(3) . . . . ?
C14 C13 C12 C11 0.7(5) . . . . ?
C12 C13 C14 F9 179.0(3) . . . . ?
C12 C13 C14 C15 -1.5(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_q_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2492488'
loop_
_audit_author_name
_audit_author_address
'Victoria Gontcharenko'
;MSU
Russia
;
_audit_update_record             
;
2025-09-30 deposited with the CCDC.	2026-06-03 downloaded from the CCDC.
;
_audit_creation_date             2025-09-30
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C57 H11 F30 N2 O6 Tb'
_chemical_formula_sum            'C57 H11 F30 N2 O6 Tb'
_chemical_formula_weight         1548.60
_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'
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'

_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                   11.9117(3)
_cell_length_b                   13.2793(4)
_cell_length_c                   17.5854(4)
_cell_angle_alpha                82.5660(10)
_cell_angle_beta                 71.5970(10)
_cell_angle_gamma                85.1880(10)
_cell_volume                     2614.46(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9438
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      30.40
_cell_measurement_theta_min      2.26
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.518
_exptl_absorpt_correction_T_max  0.6478
_exptl_absorpt_correction_T_min  0.5625
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0723 before and 0.0494 after correction.
The Ratio of minimum to maximum transmission is 0.8683.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.967
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1500
_exptl_crystal_size_max          0.108
_exptl_crystal_size_mid          0.095
_exptl_crystal_size_min          0.083
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0453
_diffrn_reflns_av_unetI/netI     0.0748
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            26529
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.000
_diffrn_reflns_theta_min         1.548
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker D8 Quest with Photon III Detector'
_diffrn_measurement_method       'φ and ω shutterless scans'
_diffrn_radiation_monochromator  ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11418
_reflns_number_total             13790
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_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         1.027
_refine_diff_density_min         -0.921
_refine_diff_density_rms         0.123
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     865
_refine_ls_number_reflns         13790
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0538
_refine_ls_R_factor_gt           0.0393
_refine_ls_restrained_S_all      1.010
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0280P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0780
_refine_ls_wR_factor_ref         0.0828
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C46(H46), C53(H53), C47(H47), C51(H51), C54(H54), C48(H48), C55(H55),
 C38(H38), C8(H8), C23(H23), C50(H50)
;
_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
Tb1 Tb 0.44295(2) 0.72453(2) 0.68866(2) 0.01092(4) Uani 1 1 d . . . . .
F29 F 0.79635(16) 0.25750(14) 0.51331(11) 0.0236(4) Uani 1 1 d . . . . .
F10 F 0.11004(17) 0.95558(15) 0.78748(12) 0.0264(4) Uani 1 1 d . . . . .
F18 F 0.57239(18) 1.22922(15) 0.90182(12) 0.0272(5) Uani 1 1 d . . . . .
F20 F 0.33640(16) 1.04562(15) 0.80618(11) 0.0221(4) Uani 1 1 d . . . . .
F21 F 0.71748(16) 0.82794(16) 0.77815(11) 0.0250(4) Uani 1 1 d . . . . .
F5 F 0.06791(17) 0.58806(14) 0.61227(12) 0.0246(4) Uani 1 1 d . . . . .
F16 F 0.61219(17) 0.87437(14) 0.92627(11) 0.0220(4) Uani 1 1 d . . . . .
F30 F 0.72168(17) 0.45380(15) 0.52180(11) 0.0233(4) Uani 1 1 d . . . . .
F24 F 1.08890(16) 0.92808(15) 0.51512(12) 0.0254(4) Uani 1 1 d . . . . .
F22 F 0.85711(17) 0.97647(16) 0.77965(12) 0.0279(5) Uani 1 1 d . . . . .
F28 F 0.83530(17) 0.14409(14) 0.64368(12) 0.0263(5) Uani 1 1 d . . . . .
F25 F 0.94584(16) 0.78112(16) 0.51236(11) 0.0252(4) Uani 1 1 d . . . . .
F23 F 1.04438(16) 1.02609(15) 0.64642(12) 0.0257(4) Uani 1 1 d . . . . .
F3 F 0.06269(18) 0.23242(15) 0.64661(13) 0.0313(5) Uani 1 1 d . . . . .
F17 F 0.68023(17) 1.05328(16) 0.94610(11) 0.0256(4) Uani 1 1 d . . . . .
F27 F 0.80147(19) 0.22863(16) 0.78144(12) 0.0320(5) Uani 1 1 d . . . . .
F15 F 0.18276(18) 0.71473(16) 1.01942(12) 0.0297(5) Uani 1 1 d . . . . .
F26 F 0.72286(19) 0.42563(16) 0.79086(12) 0.0295(5) Uani 1 1 d . . . . .
F11 F 0.48337(18) 0.47465(16) 0.90106(12) 0.0336(5) Uani 1 1 d . . . . .
F1 F 0.25169(19) 0.39759(15) 0.78873(12) 0.0289(5) Uani 1 1 d . . . . .
F4 F 0.00717(18) 0.41420(16) 0.57420(12) 0.0303(5) Uani 1 1 d . . . . .
O4 O 0.46577(18) 0.85154(16) 0.76516(12) 0.0146(4) Uani 1 1 d . . . . .
F14 F 0.08282(18) 0.57050(18) 1.13630(13) 0.0372(6) Uani 1 1 d . . . . .
O5 O 0.63959(18) 0.77234(16) 0.64116(12) 0.0155(4) Uani 1 1 d . . . . .
F19 F 0.39804(18) 1.22393(15) 0.83399(11) 0.0264(5) Uani 1 1 d . . . . .
F6 F 0.00647(19) 0.63953(17) 0.94430(12) 0.0336(5) Uani 1 1 d . . . . .
O1 O 0.31195(18) 0.60987(16) 0.68094(12) 0.0160(4) Uani 1 1 d . . . . .
F2 F 0.18419(19) 0.22376(15) 0.75394(13) 0.0325(5) Uani 1 1 d . . . . .
F12 F 0.3809(2) 0.33276(17) 1.01894(15) 0.0474(7) Uani 1 1 d . . . . .
F13 F 0.18216(19) 0.37879(17) 1.13768(13) 0.0388(6) Uani 1 1 d . . . . .
F9 F -0.04346(19) 1.05110(17) 0.90473(13) 0.0367(5) Uani 1 1 d . . . . .
F8 F -0.17362(19) 0.9442(2) 1.04115(13) 0.0439(6) Uani 1 1 d . . . . .
O2 O 0.25192(18) 0.78149(16) 0.76376(12) 0.0166(5) Uani 1 1 d . . . . .
F7 F -0.1487(2) 0.7375(2) 1.05903(13) 0.0490(7) Uani 1 1 d . . . . .
O6 O 0.56885(18) 0.57455(16) 0.66570(12) 0.0147(4) Uani 1 1 d . . . . .
O3 O 0.41929(19) 0.64686(17) 0.81631(13) 0.0189(5) Uani 1 1 d . . . . .
N1 N 0.3896(2) 0.88091(19) 0.60662(14) 0.0131(5) Uani 1 1 d . . . . .
N2 N 0.4884(2) 0.71227(19) 0.53572(15) 0.0135(5) Uani 1 1 d . . . . .
C46 C 0.3412(3) 0.9634(2) 0.64168(18) 0.0150(6) Uani 1 1 d . . . . .
H46 H 0.330938 0.963032 0.697521 0.018 Uiso 1 1 calc R U . . .
C40 C 0.7183(3) 0.4445(2) 0.65710(19) 0.0151(6) Uani 1 1 d . . . . .
C53 C 0.5244(3) 0.7013(2) 0.37172(18) 0.0170(6) Uani 1 1 d . . . . .
H53 H 0.537300 0.697089 0.316071 0.020 Uiso 1 1 calc R U . . .
C47 C 0.3043(3) 1.0510(2) 0.60093(19) 0.0162(6) Uani 1 1 d . . . . .
H47 H 0.270296 1.108495 0.628482 0.019 Uiso 1 1 calc R U . . .
C4 C 0.0940(3) 0.3180(2) 0.6647(2) 0.0220(7) Uani 1 1 d . . . . .
C16 C 0.3374(3) 0.6001(3) 0.95505(19) 0.0193(7) Uani 1 1 d . . . . .
C57 C 0.4035(2) 0.8816(2) 0.52653(18) 0.0132(6) Uani 1 1 d . . . . .
C35 C 0.9987(3) 0.9005(2) 0.58057(19) 0.0175(6) Uani 1 1 d . . . . .
C37 C 0.7357(3) 0.7286(2) 0.64614(18) 0.0145(6) Uani 1 1 d . . . . .
C9 C 0.1545(3) 0.7402(2) 0.79489(18) 0.0158(6) Uani 1 1 d . . . . .
C28 C 0.5404(3) 1.1402(2) 0.88994(18) 0.0198(7) Uani 1 1 d . . . . .
C52 C 0.4727(3) 0.7901(2) 0.40614(18) 0.0143(6) Uani 1 1 d . . . . .
C44 C 0.7788(3) 0.2990(2) 0.5814(2) 0.0187(7) Uani 1 1 d . . . . .
C51 C 0.4352(3) 0.8773(2) 0.36150(18) 0.0176(6) Uani 1 1 d . . . . .
H51 H 0.444958 0.875781 0.305918 0.021 Uiso 1 1 calc R U . . .
C10 C 0.0636(3) 0.7935(3) 0.86040(19) 0.0184(7) Uani 1 1 d . . . . .
C54 C 0.5564(3) 0.6207(2) 0.41873(18) 0.0186(7) Uani 1 1 d . . . . .
H54 H 0.591382 0.559950 0.396301 0.022 Uiso 1 1 calc R U . . .
C31 C 0.8285(3) 0.8004(2) 0.64560(18) 0.0148(6) Uani 1 1 d . . . . .
C45 C 0.7395(3) 0.3988(2) 0.58737(19) 0.0173(6) Uani 1 1 d . . . . .
C15 C 0.0495(3) 0.8990(3) 0.85370(19) 0.0188(7) Uani 1 1 d . . . . .
C48 C 0.3182(3) 1.0520(2) 0.52016(19) 0.0166(6) Uani 1 1 d . . . . .
H48 H 0.293413 1.110600 0.491338 0.020 Uiso 1 1 calc R U . . .
C26 C 0.5600(3) 0.9595(2) 0.90011(18) 0.0166(6) Uani 1 1 d . . . . .
C55 C 0.5363(3) 0.6295(2) 0.50060(18) 0.0167(6) Uani 1 1 d . . . . .
H55 H 0.558326 0.573044 0.532796 0.020 Uiso 1 1 calc R U . . .
C17 C 0.3834(3) 0.5012(3) 0.9573(2) 0.0223(7) Uani 1 1 d . . . . .
C34 C 0.9761(3) 0.9512(2) 0.6475(2) 0.0193(7) Uani 1 1 d . . . . .
C24 C 0.4472(3) 0.8545(2) 0.83938(18) 0.0152(6) Uani 1 1 d . . . . .
C1 C 0.1609(3) 0.4969(2) 0.70164(19) 0.0165(6) Uani 1 1 d . . . . .
C56 C 0.4561(2) 0.7918(2) 0.48895(18) 0.0132(6) Uani 1 1 d . . . . .
C33 C 0.8808(3) 0.9264(3) 0.7150(2) 0.0197(7) Uani 1 1 d . . . . .
C38 C 0.7603(3) 0.6252(2) 0.6541(2) 0.0215(7) Uani 1 1 d . . . . .
H38 H 0.837034 0.600953 0.655479 0.026 Uiso 1 1 calc R U . . .
C43 C 0.7982(3) 0.2414(2) 0.6477(2) 0.0198(7) Uani 1 1 d . . . . .
C6 C 0.0981(3) 0.4988(2) 0.64818(19) 0.0191(7) Uani 1 1 d . . . . .
C41 C 0.7402(3) 0.3850(3) 0.72175(19) 0.0192(7) Uani 1 1 d . . . . .
C30 C 0.4216(3) 1.0447(2) 0.84115(17) 0.0156(6) Uani 1 1 d . . . . .
C32 C 0.8096(3) 0.8512(2) 0.71294(18) 0.0169(6) Uani 1 1 d . . . . .
C7 C 0.2047(3) 0.5934(2) 0.71836(18) 0.0163(6) Uani 1 1 d . . . . .
C29 C 0.4517(3) 1.1371(2) 0.85545(18) 0.0179(7) Uani 1 1 d . . . . .
C42 C 0.7798(3) 0.2847(3) 0.7180(2) 0.0217(7) Uani 1 1 d . . . . .
C25 C 0.4748(3) 0.9534(2) 0.86216(17) 0.0147(6) Uani 1 1 d . . . . .
C49 C 0.3687(2) 0.9670(2) 0.48066(18) 0.0138(6) Uani 1 1 d . . . . .
C5 C 0.0659(3) 0.4107(3) 0.6280(2) 0.0208(7) Uani 1 1 d . . . . .
C20 C 0.1827(3) 0.5479(3) 1.0775(2) 0.0251(8) Uani 1 1 d . . . . .
C8 C 0.1239(3) 0.6502(3) 0.7739(2) 0.0222(7) Uani 1 1 d . . . . .
H8 H 0.045795 0.627559 0.798421 0.027 Uiso 1 1 calc R U . . .
C27 C 0.5945(3) 1.0504(3) 0.91179(18) 0.0191(7) Uani 1 1 d . . . . .
C21 C 0.2348(3) 0.6214(3) 1.0174(2) 0.0213(7) Uani 1 1 d . . . . .
C3 C 0.1547(3) 0.3139(2) 0.7197(2) 0.0209(7) Uani 1 1 d . . . . .
C36 C 0.9250(3) 0.8261(2) 0.57953(18) 0.0173(6) Uani 1 1 d . . . . .
C23 C 0.4045(3) 0.7762(2) 0.90064(18) 0.0184(7) Uani 1 1 d . . . . .
H23 H 0.384501 0.790271 0.955069 0.022 Uiso 1 1 calc R U . . .
C2 C 0.1889(3) 0.4031(3) 0.73702(19) 0.0192(7) Uani 1 1 d . . . . .
C50 C 0.3861(3) 0.9619(2) 0.39704(18) 0.0175(6) Uani 1 1 d . . . . .
H50 H 0.362878 1.018832 0.365836 0.021 Uiso 1 1 calc R U . . .
C22 C 0.3900(3) 0.6782(3) 0.88547(19) 0.0181(7) Uani 1 1 d . . . . .
C11 C -0.0061(3) 0.7410(3) 0.9309(2) 0.0255(8) Uani 1 1 d . . . . .
C39 C 0.6762(3) 0.5548(2) 0.66006(18) 0.0157(6) Uani 1 1 d . . . . .
C18 C 0.3323(3) 0.4271(3) 1.0180(2) 0.0278(8) Uani 1 1 d . . . . .
C19 C 0.2314(3) 0.4505(3) 1.0783(2) 0.0282(8) Uani 1 1 d . . . . .
C13 C -0.0977(3) 0.8950(3) 0.9825(2) 0.0311(9) Uani 1 1 d . . . . .
C14 C -0.0308(3) 0.9496(3) 0.9139(2) 0.0256(8) Uani 1 1 d . . . . .
C12 C -0.0852(3) 0.7910(3) 0.9916(2) 0.0319(9) 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 O4 2.371(2) . ?
Tb1 O5 2.338(2) . ?
Tb1 O1 2.315(2) . ?
Tb1 O2 2.359(2) . ?
Tb1 O6 2.388(2) . ?
Tb1 O3 2.287(2) . ?
Tb1 N1 2.526(2) . ?
Tb1 N2 2.595(2) . ?
F29 C44 1.332(4) . ?
F10 C15 1.332(4) . ?
F18 C28 1.333(4) . ?
F20 C30 1.341(3) . ?
F21 C32 1.336(3) . ?
F5 C6 1.346(4) . ?
F16 C26 1.343(3) . ?
F30 C45 1.349(3) . ?
F24 C35 1.338(3) . ?
F22 C33 1.334(4) . ?
F28 C43 1.334(3) . ?
F25 C36 1.336(3) . ?
F23 C34 1.331(4) . ?
F3 C4 1.331(4) . ?
F17 C27 1.345(4) . ?
F27 C42 1.342(4) . ?
F15 C21 1.338(4) . ?
F26 C41 1.343(4) . ?
F11 C17 1.341(4) . ?
F1 C2 1.340(4) . ?
F4 C5 1.338(4) . ?
O4 C24 1.259(3) . ?
F14 C20 1.349(4) . ?
O5 C37 1.262(4) . ?
F19 C29 1.340(4) . ?
F6 C11 1.341(4) . ?
O1 C7 1.262(4) . ?
F2 C3 1.340(4) . ?
F12 C18 1.336(4) . ?
F13 C19 1.338(4) . ?
F9 C14 1.338(4) . ?
F8 C13 1.339(4) . ?
O2 C9 1.256(4) . ?
F7 C12 1.338(4) . ?
O6 C39 1.259(4) . ?
O3 C22 1.270(4) . ?
N1 C46 1.326(4) . ?
N1 C57 1.364(4) . ?
N2 C55 1.327(4) . ?
N2 C56 1.359(4) . ?
C46 H46 0.9500 . ?
C46 C47 1.398(4) . ?
C40 C45 1.382(4) . ?
C40 C41 1.380(4) . ?
C40 C39 1.510(4) . ?
C53 H53 0.9500 . ?
C53 C52 1.401(4) . ?
C53 C54 1.369(4) . ?
C47 H47 0.9500 . ?
C47 C48 1.375(4) . ?
C4 C5 1.380(5) . ?
C4 C3 1.373(5) . ?
C16 C17 1.380(5) . ?
C16 C21 1.397(4) . ?
C16 C22 1.504(4) . ?
C57 C56 1.438(4) . ?
C57 C49 1.415(4) . ?
C35 C34 1.373(4) . ?
C35 C36 1.381(4) . ?
C37 C31 1.517(4) . ?
C37 C38 1.378(4) . ?
C9 C10 1.515(4) . ?
C9 C8 1.402(4) . ?
C28 C29 1.380(5) . ?
C28 C27 1.376(5) . ?
C52 C51 1.434(4) . ?
C52 C56 1.409(4) . ?
C44 C45 1.373(4) . ?
C44 C43 1.382(4) . ?
C51 H51 0.9500 . ?
C51 C50 1.354(4) . ?
C10 C15 1.392(5) . ?
C10 C11 1.391(4) . ?
C54 H54 0.9500 . ?
C54 C55 1.402(4) . ?
C31 C32 1.386(4) . ?
C31 C36 1.381(4) . ?
C15 C14 1.387(4) . ?
C48 H48 0.9500 . ?
C48 C49 1.395(4) . ?
C26 C25 1.392(4) . ?
C26 C27 1.367(4) . ?
C55 H55 0.9500 . ?
C17 C18 1.377(5) . ?
C34 C33 1.385(4) . ?
C24 C25 1.511(4) . ?
C24 C23 1.398(4) . ?
C1 C6 1.370(4) . ?
C1 C7 1.519(4) . ?
C1 C2 1.383(4) . ?
C33 C32 1.373(4) . ?
C38 H38 0.9500 . ?
C38 C39 1.397(4) . ?
C43 C42 1.378(5) . ?
C6 C5 1.382(5) . ?
C41 C42 1.377(4) . ?
C30 C29 1.382(4) . ?
C30 C25 1.382(4) . ?
C7 C8 1.387(4) . ?
C49 C50 1.428(4) . ?
C20 C21 1.369(5) . ?
C20 C19 1.372(5) . ?
C8 H8 0.9500 . ?
C3 C2 1.383(4) . ?
C23 H23 0.9500 . ?
C23 C22 1.397(4) . ?
C50 H50 0.9500 . ?
C11 C12 1.383(5) . ?
C18 C19 1.373(5) . ?
C13 C14 1.371(5) . ?
C13 C12 1.370(6) . ?

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
O4 Tb1 O6 123.92(7) . . ?
O4 Tb1 N1 80.39(7) . . ?
O4 Tb1 N2 134.18(7) . . ?
O5 Tb1 O4 71.26(7) . . ?
O5 Tb1 O2 141.60(7) . . ?
O5 Tb1 O6 71.60(7) . . ?
O5 Tb1 N1 88.37(7) . . ?
O5 Tb1 N2 79.80(7) . . ?
O1 Tb1 O4 143.28(7) . . ?
O1 Tb1 O5 144.89(7) . . ?
O1 Tb1 O2 73.13(7) . . ?
O1 Tb1 O6 78.89(7) . . ?
O1 Tb1 N1 101.64(8) . . ?
O1 Tb1 N2 75.00(7) . . ?
O2 Tb1 O4 72.36(7) . . ?
O2 Tb1 O6 142.02(7) . . ?
O2 Tb1 N1 73.83(7) . . ?
O2 Tb1 N2 119.08(7) . . ?
O6 Tb1 N1 137.92(7) . . ?
O6 Tb1 N2 76.27(7) . . ?
O3 Tb1 O4 73.69(7) . . ?
O3 Tb1 O5 104.93(7) . . ?
O3 Tb1 O1 86.12(8) . . ?
O3 Tb1 O2 75.87(7) . . ?
O3 Tb1 O6 77.13(7) . . ?
O3 Tb1 N1 144.81(8) . . ?
O3 Tb1 N2 149.82(8) . . ?
N1 Tb1 N2 63.72(8) . . ?
C24 O4 Tb1 133.2(2) . . ?
C37 O5 Tb1 133.15(19) . . ?
C7 O1 Tb1 134.1(2) . . ?
C9 O2 Tb1 134.1(2) . . ?
C39 O6 Tb1 133.3(2) . . ?
C22 O3 Tb1 134.1(2) . . ?
C46 N1 Tb1 120.38(19) . . ?
C46 N1 C57 118.0(3) . . ?
C57 N1 Tb1 121.53(19) . . ?
C55 N2 Tb1 123.4(2) . . ?
C55 N2 C56 117.3(3) . . ?
C56 N2 Tb1 119.20(19) . . ?
N1 C46 H46 118.2 . . ?
N1 C46 C47 123.6(3) . . ?
C47 C46 H46 118.2 . . ?
C45 C40 C39 120.6(3) . . ?
C41 C40 C45 116.5(3) . . ?
C41 C40 C39 122.8(3) . . ?
C52 C53 H53 120.2 . . ?
C54 C53 H53 120.2 . . ?
C54 C53 C52 119.6(3) . . ?
C46 C47 H47 120.7 . . ?
C48 C47 C46 118.6(3) . . ?
C48 C47 H47 120.7 . . ?
F3 C4 C5 120.2(3) . . ?
F3 C4 C3 119.8(3) . . ?
C3 C4 C5 120.0(3) . . ?
C17 C16 C21 116.5(3) . . ?
C17 C16 C22 121.3(3) . . ?
C21 C16 C22 122.0(3) . . ?
N1 C57 C56 117.7(3) . . ?
N1 C57 C49 122.2(3) . . ?
C49 C57 C56 120.2(3) . . ?
F24 C35 C34 119.0(3) . . ?
F24 C35 C36 120.6(3) . . ?
C34 C35 C36 120.2(3) . . ?
O5 C37 C31 114.3(3) . . ?
O5 C37 C38 126.4(3) . . ?
C38 C37 C31 119.3(3) . . ?
O2 C9 C10 116.2(3) . . ?
O2 C9 C8 125.5(3) . . ?
C8 C9 C10 118.3(3) . . ?
F18 C28 C29 120.0(3) . . ?
F18 C28 C27 120.9(3) . . ?
C27 C28 C29 119.1(3) . . ?
C53 C52 C51 123.2(3) . . ?
C53 C52 C56 117.5(3) . . ?
C56 C52 C51 119.3(3) . . ?
F29 C44 C45 120.9(3) . . ?
F29 C44 C43 120.2(3) . . ?
C45 C44 C43 118.9(3) . . ?
C52 C51 H51 119.4 . . ?
C50 C51 C52 121.3(3) . . ?
C50 C51 H51 119.4 . . ?
C15 C10 C9 120.7(3) . . ?
C11 C10 C9 122.5(3) . . ?
C11 C10 C15 116.8(3) . . ?
C53 C54 H54 120.6 . . ?
C53 C54 C55 118.7(3) . . ?
C55 C54 H54 120.6 . . ?
C32 C31 C37 118.0(3) . . ?
C36 C31 C37 124.2(3) . . ?
C36 C31 C32 117.4(3) . . ?
F30 C45 C40 119.1(3) . . ?
F30 C45 C44 118.0(3) . . ?
C44 C45 C40 122.9(3) . . ?
F10 C15 C10 121.0(3) . . ?
F10 C15 C14 117.2(3) . . ?
C14 C15 C10 121.8(3) . . ?
C47 C48 H48 120.1 . . ?
C47 C48 C49 119.9(3) . . ?
C49 C48 H48 120.1 . . ?
F16 C26 C25 120.2(3) . . ?
F16 C26 C27 117.6(3) . . ?
C27 C26 C25 122.3(3) . . ?
N2 C55 C54 123.8(3) . . ?
N2 C55 H55 118.1 . . ?
C54 C55 H55 118.1 . . ?
F11 C17 C16 120.5(3) . . ?
F11 C17 C18 117.3(3) . . ?
C18 C17 C16 122.2(3) . . ?
F23 C34 C35 119.7(3) . . ?
F23 C34 C33 120.1(3) . . ?
C35 C34 C33 120.1(3) . . ?
O4 C24 C25 115.2(3) . . ?
O4 C24 C23 126.3(3) . . ?
C23 C24 C25 118.5(3) . . ?
C6 C1 C7 121.7(3) . . ?
C6 C1 C2 117.6(3) . . ?
C2 C1 C7 120.6(3) . . ?
N2 C56 C57 117.7(3) . . ?
N2 C56 C52 123.1(3) . . ?
C52 C56 C57 119.2(3) . . ?
F22 C33 C34 120.4(3) . . ?
F22 C33 C32 120.9(3) . . ?
C32 C33 C34 118.6(3) . . ?
C37 C38 H38 118.9 . . ?
C37 C38 C39 122.2(3) . . ?
C39 C38 H38 118.9 . . ?
F28 C43 C44 120.1(3) . . ?
F28 C43 C42 119.9(3) . . ?
C42 C43 C44 119.9(3) . . ?
F5 C6 C1 120.2(3) . . ?
F5 C6 C5 117.9(3) . . ?
C1 C6 C5 122.0(3) . . ?
F26 C41 C40 119.3(3) . . ?
F26 C41 C42 118.4(3) . . ?
C42 C41 C40 122.3(3) . . ?
F20 C30 C29 117.5(3) . . ?
F20 C30 C25 120.0(3) . . ?
C29 C30 C25 122.6(3) . . ?
F21 C32 C31 119.1(3) . . ?
F21 C32 C33 118.3(3) . . ?
C33 C32 C31 122.6(3) . . ?
O1 C7 C1 115.0(3) . . ?
O1 C7 C8 128.4(3) . . ?
C8 C7 C1 116.6(3) . . ?
F19 C29 C28 119.7(3) . . ?
F19 C29 C30 120.7(3) . . ?
C28 C29 C30 119.6(3) . . ?
F27 C42 C43 119.4(3) . . ?
F27 C42 C41 121.2(3) . . ?
C41 C42 C43 119.4(3) . . ?
C26 C25 C24 122.7(3) . . ?
C30 C25 C26 116.0(3) . . ?
C30 C25 C24 121.2(3) . . ?
C57 C49 C50 118.9(3) . . ?
C48 C49 C57 117.8(3) . . ?
C48 C49 C50 123.3(3) . . ?
F4 C5 C4 119.7(3) . . ?
F4 C5 C6 121.0(3) . . ?
C4 C5 C6 119.3(3) . . ?
F14 C20 C21 120.2(3) . . ?
F14 C20 C19 119.4(3) . . ?
C21 C20 C19 120.4(3) . . ?
C9 C8 H8 119.1 . . ?
C7 C8 C9 121.8(3) . . ?
C7 C8 H8 119.1 . . ?
F17 C27 C28 119.1(3) . . ?
F17 C27 C26 120.5(3) . . ?
C26 C27 C28 120.4(3) . . ?
F15 C21 C16 120.7(3) . . ?
F15 C21 C20 117.7(3) . . ?
C20 C21 C16 121.6(3) . . ?
F2 C3 C4 119.9(3) . . ?
F2 C3 C2 120.5(3) . . ?
C4 C3 C2 119.5(3) . . ?
F25 C36 C35 119.0(3) . . ?
F25 C36 C31 119.9(3) . . ?
C35 C36 C31 121.0(3) . . ?
C24 C23 H23 118.5 . . ?
C22 C23 C24 123.0(3) . . ?
C22 C23 H23 118.5 . . ?
F1 C2 C1 119.6(3) . . ?
F1 C2 C3 118.8(3) . . ?
C3 C2 C1 121.6(3) . . ?
C51 C50 C49 121.1(3) . . ?
C51 C50 H50 119.4 . . ?
C49 C50 H50 119.4 . . ?
O3 C22 C16 115.1(3) . . ?
O3 C22 C23 125.5(3) . . ?
C23 C22 C16 119.4(3) . . ?
F6 C11 C10 120.7(3) . . ?
F6 C11 C12 117.4(3) . . ?
C12 C11 C10 121.8(4) . . ?
O6 C39 C40 116.4(3) . . ?
O6 C39 C38 126.4(3) . . ?
C38 C39 C40 117.2(3) . . ?
F12 C18 C17 120.4(3) . . ?
F12 C18 C19 119.8(3) . . ?
C19 C18 C17 119.8(3) . . ?
F13 C19 C20 120.7(3) . . ?
F13 C19 C18 119.9(3) . . ?
C20 C19 C18 119.5(3) . . ?
F8 C13 C14 119.5(4) . . ?
F8 C13 C12 120.4(4) . . ?
C12 C13 C14 120.2(3) . . ?
F9 C14 C15 120.1(3) . . ?
F9 C14 C13 120.2(3) . . ?
C13 C14 C15 119.6(3) . . ?
F7 C12 C11 119.7(4) . . ?
F7 C12 C13 120.4(3) . . ?
C13 C12 C11 119.9(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Tb1 O4 C24 C25 179.94(18) . . . . ?
Tb1 O4 C24 C23 0.0(5) . . . . ?
Tb1 O5 C37 C31 -150.4(2) . . . . ?
Tb1 O5 C37 C38 27.6(5) . . . . ?
Tb1 O1 C7 C1 -170.10(19) . . . . ?
Tb1 O1 C7 C8 7.9(5) . . . . ?
Tb1 O2 C9 C10 160.7(2) . . . . ?
Tb1 O2 C9 C8 -19.4(5) . . . . ?
Tb1 O6 C39 C40 171.36(19) . . . . ?
Tb1 O6 C39 C38 -10.5(5) . . . . ?
Tb1 O3 C22 C16 155.7(2) . . . . ?
Tb1 O3 C22 C23 -25.3(5) . . . . ?
Tb1 N1 C46 C47 -176.9(2) . . . . ?
Tb1 N1 C57 C56 -3.5(3) . . . . ?
Tb1 N1 C57 C49 176.9(2) . . . . ?
Tb1 N2 C55 C54 177.0(2) . . . . ?
Tb1 N2 C56 C57 3.3(3) . . . . ?
Tb1 N2 C56 C52 -177.2(2) . . . . ?
F29 C44 C45 F30 -1.4(5) . . . . ?
F29 C44 C45 C40 178.9(3) . . . . ?
F29 C44 C43 F28 0.4(5) . . . . ?
F29 C44 C43 C42 -179.9(3) . . . . ?
F10 C15 C14 F9 -1.1(5) . . . . ?
F10 C15 C14 C13 178.3(3) . . . . ?
F18 C28 C29 F19 0.0(4) . . . . ?
F18 C28 C29 C30 178.0(3) . . . . ?
F18 C28 C27 F17 0.5(5) . . . . ?
F18 C28 C27 C26 179.3(3) . . . . ?
F20 C30 C29 F19 -0.8(4) . . . . ?
F20 C30 C29 C28 -178.8(3) . . . . ?
F20 C30 C25 C26 -178.3(2) . . . . ?
F20 C30 C25 C24 5.9(4) . . . . ?
F5 C6 C5 F4 0.4(5) . . . . ?
F5 C6 C5 C4 -179.0(3) . . . . ?
F16 C26 C25 C24 -7.6(4) . . . . ?
F16 C26 C25 C30 176.7(3) . . . . ?
F16 C26 C27 F17 2.0(4) . . . . ?
F16 C26 C27 C28 -176.8(3) . . . . ?
F24 C35 C34 F23 -0.4(5) . . . . ?
F24 C35 C34 C33 177.8(3) . . . . ?
F24 C35 C36 F25 0.7(5) . . . . ?
F24 C35 C36 C31 -177.0(3) . . . . ?
F22 C33 C32 F21 -1.5(5) . . . . ?
F22 C33 C32 C31 177.3(3) . . . . ?
F28 C43 C42 F27 1.2(5) . . . . ?
F28 C43 C42 C41 -179.2(3) . . . . ?
F23 C34 C33 F22 -0.6(5) . . . . ?
F23 C34 C33 C32 177.6(3) . . . . ?
F3 C4 C5 F4 0.0(5) . . . . ?
F3 C4 C5 C6 179.4(3) . . . . ?
F3 C4 C3 F2 1.3(5) . . . . ?
F3 C4 C3 C2 178.7(3) . . . . ?
F26 C41 C42 F27 -0.4(5) . . . . ?
F26 C41 C42 C43 180.0(3) . . . . ?
F11 C17 C18 F12 -1.1(5) . . . . ?
F11 C17 C18 C19 178.4(3) . . . . ?
O4 C24 C25 C26 -118.5(3) . . . . ?
O4 C24 C25 C30 56.9(4) . . . . ?
O4 C24 C23 C22 8.0(5) . . . . ?
F14 C20 C21 F15 -0.5(5) . . . . ?
F14 C20 C21 C16 -179.1(3) . . . . ?
F14 C20 C19 F13 -1.3(5) . . . . ?
F14 C20 C19 C18 179.3(3) . . . . ?
O5 C37 C31 C32 70.6(4) . . . . ?
O5 C37 C31 C36 -102.9(4) . . . . ?
O5 C37 C38 C39 -2.0(5) . . . . ?
F6 C11 C12 F7 -2.5(5) . . . . ?
F6 C11 C12 C13 177.1(3) . . . . ?
O1 C7 C8 C9 1.4(6) . . . . ?
F2 C3 C2 F1 -0.2(5) . . . . ?
F2 C3 C2 C1 179.1(3) . . . . ?
F12 C18 C19 F13 0.0(6) . . . . ?
F12 C18 C19 C20 179.3(3) . . . . ?
F8 C13 C14 F9 -1.7(5) . . . . ?
F8 C13 C14 C15 178.8(3) . . . . ?
F8 C13 C12 F7 0.0(6) . . . . ?
F8 C13 C12 C11 -179.7(3) . . . . ?
O2 C9 C10 C15 39.5(4) . . . . ?
O2 C9 C10 C11 -138.0(3) . . . . ?
O2 C9 C8 C7 4.4(5) . . . . ?
N1 C46 C47 C48 0.3(5) . . . . ?
N1 C57 C56 N2 0.0(4) . . . . ?
N1 C57 C56 C52 -179.5(3) . . . . ?
N1 C57 C49 C48 -0.4(4) . . . . ?
N1 C57 C49 C50 -180.0(3) . . . . ?
C46 N1 C57 C56 -180.0(3) . . . . ?
C46 N1 C57 C49 0.4(4) . . . . ?
C46 C47 C48 C49 -0.3(4) . . . . ?
C40 C41 C42 F27 179.4(3) . . . . ?
C40 C41 C42 C43 -0.2(5) . . . . ?
C53 C52 C51 C50 -179.6(3) . . . . ?
C53 C52 C56 N2 0.4(4) . . . . ?
C53 C52 C56 C57 179.9(3) . . . . ?
C53 C54 C55 N2 -0.4(5) . . . . ?
C47 C48 C49 C57 0.3(4) . . . . ?
C47 C48 C49 C50 179.9(3) . . . . ?
C4 C3 C2 F1 -177.7(3) . . . . ?
C4 C3 C2 C1 1.7(5) . . . . ?
C16 C17 C18 F12 -178.6(3) . . . . ?
C16 C17 C18 C19 1.0(6) . . . . ?
C57 N1 C46 C47 -0.4(4) . . . . ?
C57 C49 C50 C51 -0.1(4) . . . . ?
C35 C34 C33 F22 -178.8(3) . . . . ?
C35 C34 C33 C32 -0.6(5) . . . . ?
C37 C31 C32 F21 6.5(4) . . . . ?
C37 C31 C32 C33 -172.3(3) . . . . ?
C37 C31 C36 F25 -5.0(5) . . . . ?
C37 C31 C36 C35 172.7(3) . . . . ?
C37 C38 C39 O6 -6.2(5) . . . . ?
C37 C38 C39 C40 171.9(3) . . . . ?
C9 C10 C15 F10 4.3(5) . . . . ?
C9 C10 C15 C14 -178.2(3) . . . . ?
C9 C10 C11 F6 1.3(5) . . . . ?
C9 C10 C11 C12 177.3(3) . . . . ?
C52 C53 C54 C55 -0.1(5) . . . . ?
C52 C51 C50 C49 -0.7(5) . . . . ?
C44 C43 C42 F27 -178.5(3) . . . . ?
C44 C43 C42 C41 1.0(5) . . . . ?
C51 C52 C56 N2 179.6(3) . . . . ?
C51 C52 C56 C57 -0.9(4) . . . . ?
C10 C9 C8 C7 -175.7(3) . . . . ?
C10 C15 C14 F9 -178.8(3) . . . . ?
C10 C15 C14 C13 0.7(5) . . . . ?
C10 C11 C12 F7 -178.6(3) . . . . ?
C10 C11 C12 C13 1.0(6) . . . . ?
C54 C53 C52 C51 -179.1(3) . . . . ?
C54 C53 C52 C56 0.1(4) . . . . ?
C31 C37 C38 C39 175.9(3) . . . . ?
C45 C40 C41 F26 179.1(3) . . . . ?
C45 C40 C41 C42 -0.7(5) . . . . ?
C45 C40 C39 O6 76.4(4) . . . . ?
C45 C40 C39 C38 -101.9(4) . . . . ?
C45 C44 C43 F28 179.3(3) . . . . ?
C45 C44 C43 C42 -1.0(5) . . . . ?
C15 C10 C11 F6 -176.2(3) . . . . ?
C15 C10 C11 C12 -0.3(5) . . . . ?
C48 C49 C50 C51 -179.7(3) . . . . ?
C55 N2 C56 C57 179.7(3) . . . . ?
C55 N2 C56 C52 -0.8(4) . . . . ?
C17 C16 C21 F15 -178.7(3) . . . . ?
C17 C16 C21 C20 -0.2(5) . . . . ?
C17 C16 C22 O3 41.4(4) . . . . ?
C17 C16 C22 C23 -137.7(3) . . . . ?
C17 C18 C19 F13 -179.6(3) . . . . ?
C17 C18 C19 C20 -0.2(6) . . . . ?
C34 C35 C36 F25 177.0(3) . . . . ?
C34 C35 C36 C31 -0.7(5) . . . . ?
C34 C33 C32 F21 -179.7(3) . . . . ?
C34 C33 C32 C31 -0.9(5) . . . . ?
C24 C23 C22 O3 4.3(5) . . . . ?
C24 C23 C22 C16 -176.7(3) . . . . ?
C1 C6 C5 F4 -178.4(3) . . . . ?
C1 C6 C5 C4 2.3(5) . . . . ?
C1 C7 C8 C9 179.3(3) . . . . ?
C56 N2 C55 C54 0.8(4) . . . . ?
C56 C57 C49 C48 180.0(3) . . . . ?
C56 C57 C49 C50 0.4(4) . . . . ?
C56 C52 C51 C50 1.2(5) . . . . ?
C38 C37 C31 C32 -107.6(4) . . . . ?
C38 C37 C31 C36 78.9(4) . . . . ?
C43 C44 C45 F30 179.7(3) . . . . ?
C43 C44 C45 C40 0.0(5) . . . . ?
C6 C1 C7 O1 -99.1(4) . . . . ?
C6 C1 C7 C8 82.7(4) . . . . ?
C6 C1 C2 F1 179.0(3) . . . . ?
C6 C1 C2 C3 -0.3(5) . . . . ?
C41 C40 C45 F30 -178.9(3) . . . . ?
C41 C40 C45 C44 0.8(5) . . . . ?
C41 C40 C39 O6 -105.1(4) . . . . ?
C41 C40 C39 C38 76.6(4) . . . . ?
C32 C31 C36 F25 -178.5(3) . . . . ?
C32 C31 C36 C35 -0.8(5) . . . . ?
C7 C1 C6 F5 -3.8(5) . . . . ?
C7 C1 C6 C5 174.9(3) . . . . ?
C7 C1 C2 F1 2.4(5) . . . . ?
C7 C1 C2 C3 -176.9(3) . . . . ?
C29 C28 C27 F17 -179.4(3) . . . . ?
C29 C28 C27 C26 -0.6(5) . . . . ?
C29 C30 C25 C26 1.0(5) . . . . ?
C29 C30 C25 C24 -174.8(3) . . . . ?
C25 C26 C27 F17 -177.6(3) . . . . ?
C25 C26 C27 C28 3.6(5) . . . . ?
C25 C24 C23 C22 -172.0(3) . . . . ?
C25 C30 C29 F19 179.9(3) . . . . ?
C25 C30 C29 C28 1.9(5) . . . . ?
C49 C57 C56 N2 179.7(3) . . . . ?
C49 C57 C56 C52 0.1(4) . . . . ?
C5 C4 C3 F2 -178.5(3) . . . . ?
C5 C4 C3 C2 -1.1(5) . . . . ?
C8 C9 C10 C15 -140.4(3) . . . . ?
C8 C9 C10 C11 42.1(4) . . . . ?
C27 C28 C29 F19 179.9(3) . . . . ?
C27 C28 C29 C30 -2.1(5) . . . . ?
C27 C26 C25 C24 172.0(3) . . . . ?
C27 C26 C25 C30 -3.7(4) . . . . ?
C21 C16 C17 F11 -178.2(3) . . . . ?
C21 C16 C17 C18 -0.7(5) . . . . ?
C21 C16 C22 O3 -133.7(3) . . . . ?
C21 C16 C22 C23 47.2(4) . . . . ?
C21 C20 C19 F13 178.7(3) . . . . ?
C21 C20 C19 C18 -0.7(6) . . . . ?
C3 C4 C5 F4 179.8(3) . . . . ?
C3 C4 C5 C6 -0.9(5) . . . . ?
C36 C35 C34 F23 -176.8(3) . . . . ?
C36 C35 C34 C33 1.4(5) . . . . ?
C36 C31 C32 F21 -179.6(3) . . . . ?
C36 C31 C32 C33 1.6(5) . . . . ?
C23 C24 C25 C26 61.4(4) . . . . ?
C23 C24 C25 C30 -123.1(3) . . . . ?
C2 C1 C6 F5 179.7(3) . . . . ?
C2 C1 C6 C5 -1.7(5) . . . . ?
C2 C1 C7 O1 77.4(4) . . . . ?
C2 C1 C7 C8 -100.8(4) . . . . ?
C22 C16 C17 F11 6.5(5) . . . . ?
C22 C16 C17 C18 -176.1(3) . . . . ?
C22 C16 C21 F15 -3.4(5) . . . . ?
C22 C16 C21 C20 175.2(3) . . . . ?
C11 C10 C15 F10 -178.1(3) . . . . ?
C11 C10 C15 C14 -0.6(5) . . . . ?
C39 C40 C45 F30 -0.3(4) . . . . ?
C39 C40 C45 C44 179.4(3) . . . . ?
C39 C40 C41 F26 0.5(5) . . . . ?
C39 C40 C41 C42 -179.3(3) . . . . ?
C19 C20 C21 F15 179.5(3) . . . . ?
C19 C20 C21 C16 0.9(5) . . . . ?
C14 C13 C12 F7 178.8(3) . . . . ?
C14 C13 C12 C11 -0.9(6) . . . . ?
C12 C13 C14 F9 179.5(3) . . . . ?
C12 C13 C14 C15 0.0(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
