# Supplementary Information (SI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2025

####################################################################### 
# 
# 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 2357261'
loop_
_audit_author_name
_audit_author_address
'Victoria Gontcharenko'
;MSU
Russia
;
_audit_update_record             
;
2024-10-21 deposited with the CCDC.	2025-04-29 downloaded from the CCDC.
;
_audit_creation_date             2024-10-21
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H42 F9 O11 P2 Tb'
_chemical_formula_sum            'C60 H42 F9 O11 P2 Tb'
_chemical_formula_weight         1330.79
_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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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                   10.9568(3)
_cell_length_b                   11.8761(3)
_cell_length_c                   22.7730(7)
_cell_angle_alpha                80.4570(10)
_cell_angle_beta                 76.7030(10)
_cell_angle_gamma                70.9410(10)
_cell_volume                     2712.51(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8105
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      28.351
_cell_measurement_theta_min      2.27
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.457
_exptl_absorpt_correction_T_max  0.6478
_exptl_absorpt_correction_T_min  0.5184
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0905 before and 0.0530 after correction.
The Ratio of minimum to maximum transmission is 0.8002.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.629
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1332
_exptl_crystal_size_max          0.158
_exptl_crystal_size_mid          0.144
_exptl_crystal_size_min          0.109
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0536
_diffrn_reflns_av_unetI/netI     0.0895
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            27410
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.999
_diffrn_reflns_theta_min         1.847
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker D8 Quest with Photon III Detector'
_diffrn_measurement_method       'φ and ω shutterless scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11535
_reflns_number_total             14286
_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         1.360
_refine_diff_density_min         -1.106
_refine_diff_density_rms         0.138
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     748
_refine_ls_number_reflns         14286
_refine_ls_number_restraints     26
_refine_ls_R_factor_all          0.0638
_refine_ls_R_factor_gt           0.0455
_refine_ls_restrained_S_all      1.032
_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)+(0.0294P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0899
_refine_ls_wR_factor_ref         0.0958
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Rigid bond restraints
 C16, C15
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 O6, C13
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
O6 \\sim C13: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08
within 2A
C15 \\sim C16: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 2A
Uanis(C15) \\sim Ueq, Uanis(C14) \\sim Ueq: with sigma of 0.003 and sigma for
terminal atoms of 0.006
4.a Aromatic/amide H refined with riding coordinates:
 C56(H56), C16(H16), C48(H48), C24(H24), C18(H18), C10(H10), C2(H2), C58(H58),
 C57(H57), C44(H44), C32(H32), C38(H38), C47(H47), C8(H8), C46(H46), C36(H36),
 C33(H33), C45(H45), C30(H30), C60(H60), C42(H42), C35(H35), C23(H23), C7(H7),
 C52(H52), C39(H39), C34(H34), C53(H53), C6(H6), C26(H26), C50(H50), C59(H59),
 C29(H29), C40(H40), C54(H54), C28(H28), C22(H22), C41(H41), C27(H27), C15(H15),
  C51(H51), C14(H14)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.55865(2) 0.68753(2) 0.25360(2) 0.01079(5) Uani 1 1 d . . . . .
P2 P 0.86576(9) 0.72281(8) 0.14266(4) 0.01287(18) Uani 1 1 d . . . . .
P1 P 0.37219(10) 0.77697(8) 0.40801(4) 0.01460(19) Uani 1 1 d . . . . .
F2 F 0.2252(2) 0.4776(2) 0.31979(10) 0.0294(6) Uani 1 1 d . . . . .
F8 F 1.0110(2) 0.3662(2) 0.33950(11) 0.0296(6) Uani 1 1 d . . . . .
F4 F 0.2310(2) 1.0963(2) 0.21139(11) 0.0339(6) Uani 1 1 d . . . . .
F9 F 0.8390(2) 0.4199(2) 0.40772(10) 0.0337(6) Uani 1 1 d . . . . .
F5 F 0.3635(2) 1.0461(2) 0.12892(10) 0.0307(6) Uani 1 1 d . . . . .
O2 O 0.5101(2) 0.6905(2) 0.15504(11) 0.0158(5) Uani 1 1 d . . . . .
F7 F 0.9284(3) 0.5502(2) 0.35718(11) 0.0334(6) Uani 1 1 d . . . . .
O11 O 0.7443(2) 0.7136(2) 0.18642(11) 0.0160(5) Uani 1 1 d . . . . .
O5 O 0.6248(3) 0.8285(2) 0.29469(11) 0.0172(5) Uani 1 1 d . . . . .
F6 F 0.3781(3) 1.18493(19) 0.17336(11) 0.0349(6) Uani 1 1 d . . . . .
O3 O 0.3720(3) 0.6087(2) 0.04864(11) 0.0227(6) Uani 1 1 d . . . . .
O8 O 0.6526(2) 0.4911(2) 0.22053(11) 0.0174(5) Uani 1 1 d . . . . .
O7 O 0.7142(3) 0.5730(2) 0.31287(11) 0.0169(5) Uani 1 1 d . . . . .
O1 O 0.3931(3) 0.5963(2) 0.26831(11) 0.0176(5) Uani 1 1 d . . . . .
O10 O 0.4255(3) 0.7223(2) 0.34922(11) 0.0179(5) Uani 1 1 d . . . . .
O9 O 0.8729(3) 0.2001(2) 0.20240(13) 0.0255(6) Uani 1 1 d . . . . .
O4 O 0.4340(2) 0.8808(2) 0.22329(11) 0.0160(5) Uani 1 1 d . . . . .
F3 F 0.3862(3) 0.3446(2) 0.27419(15) 0.0643(10) Uani 1 1 d . . . . .
F1 F 0.2170(4) 0.4292(3) 0.23465(12) 0.0676(11) Uani 1 1 d . . . . .
O6 O 0.7435(4) 0.9204(3) 0.36050(15) 0.0470(9) Uani 1 1 d . U . . .
C25 C 0.3571(4) 0.9336(3) 0.40113(16) 0.0172(7) Uani 1 1 d . . . . .
C56 C 1.0757(4) 0.8096(3) 0.14594(17) 0.0180(8) Uani 1 1 d . . . . .
H56 H 1.092495 0.817824 0.102866 0.022 Uiso 1 1 calc R U . . .
C37 C 0.4695(4) 0.7028(3) 0.46464(16) 0.0165(7) Uani 1 1 d . . . . .
C55 C 0.9713(4) 0.7681(3) 0.17792(16) 0.0148(7) Uani 1 1 d . . . . .
C3 C 0.4512(3) 0.6350(3) 0.13528(16) 0.0146(7) Uani 1 1 d . . . . .
C16 C 0.6764(4) 1.1023(3) 0.31392(16) 0.0187(8) Uani 1 1 d . U . . .
H16 H 0.635384 1.167461 0.287614 0.022 Uiso 1 1 calc R U . . .
C31 C 0.2077(4) 0.7708(3) 0.43800(15) 0.0154(7) Uani 1 1 d . . . . .
C48 C 0.6920(4) 0.8972(3) 0.08202(17) 0.0183(8) Uani 1 1 d . . . . .
H48 H 0.628174 0.884334 0.116370 0.022 Uiso 1 1 calc R U . . .
C24 C 0.6954(4) 0.2782(3) 0.16033(16) 0.0205(8) Uani 1 1 d . . . . .
H24 H 0.616688 0.331965 0.149225 0.025 Uiso 1 1 calc R U . . .
C43 C 0.8239(4) 0.8301(3) 0.07894(15) 0.0142(7) Uani 1 1 d . . . . .
C19 C 0.7478(4) 0.4013(3) 0.22862(16) 0.0158(7) Uani 1 1 d . . . . .
C18 C 0.8339(4) 0.3910(3) 0.26828(16) 0.0173(8) Uani 1 1 d . . . . .
H18 H 0.910755 0.324186 0.268017 0.021 Uiso 1 1 calc R U . . .
C10 C 0.5333(4) 1.0179(3) 0.24421(16) 0.0180(8) Uani 1 1 d . . . . .
H10 H 0.539189 1.097133 0.234144 0.022 Uiso 1 1 calc R U . . .
C11 C 0.6107(4) 0.9383(3) 0.28436(15) 0.0162(7) Uani 1 1 d . . . . .
C2 C 0.3831(3) 0.5553(3) 0.17092(16) 0.0153(7) Uani 1 1 d . . . . .
H2 H 0.351640 0.509176 0.151004 0.018 Uiso 1 1 calc R U . . .
C58 C 1.1308(4) 0.8268(3) 0.23906(18) 0.0241(9) Uani 1 1 d . . . . .
H58 H 1.185989 0.845866 0.260024 0.029 Uiso 1 1 calc R U . . .
C57 C 1.1549(4) 0.8389(3) 0.17655(18) 0.0222(8) Uani 1 1 d . . . . .
H57 H 1.225719 0.867332 0.154543 0.027 Uiso 1 1 calc R U . . .
C9 C 0.4493(4) 0.9830(3) 0.21927(15) 0.0160(7) Uani 1 1 d . . . . .
C21 C 0.7678(4) 0.2980(3) 0.19595(17) 0.0182(8) Uani 1 1 d . . . . .
C5 C 0.4518(4) 0.6544(3) 0.06981(16) 0.0170(8) Uani 1 1 d . . . . .
C44 C 0.9159(4) 0.8481(3) 0.02845(16) 0.0180(8) Uani 1 1 d . . . . .
H44 H 1.005439 0.801308 0.025842 0.022 Uiso 1 1 calc R U . . .
C20 C 0.8982(4) 0.4524(3) 0.35260(17) 0.0193(8) Uani 1 1 d . . . . .
C32 C 0.1276(4) 0.8381(3) 0.48489(17) 0.0206(8) Uani 1 1 d . . . . .
H32 H 0.158081 0.891929 0.499912 0.025 Uiso 1 1 calc R U . . .
C17 C 0.8079(4) 0.4763(3) 0.30710(16) 0.0165(7) Uani 1 1 d . . . . .
C38 C 0.6046(4) 0.6785(4) 0.44863(18) 0.0235(8) Uani 1 1 d . . . . .
H38 H 0.643977 0.701380 0.408658 0.028 Uiso 1 1 calc R U . . .
C47 C 0.6543(4) 0.9825(3) 0.03484(17) 0.0209(8) Uani 1 1 d . . . . .
H47 H 0.564559 1.027841 0.036604 0.025 Uiso 1 1 calc R U . . .
C8 C 0.5146(4) 0.7126(3) 0.02361(17) 0.0213(8) Uani 1 1 d . . . . .
H8 H 0.574891 0.752941 0.026038 0.026 Uiso 1 1 calc R U . . .
C46 C 0.7479(4) 1.0014(3) -0.01483(16) 0.0232(9) Uani 1 1 d . . . . .
H46 H 0.721990 1.061159 -0.046670 0.028 Uiso 1 1 calc R U . . .
C36 C 0.1617(4) 0.6957(3) 0.41432(17) 0.0190(8) Uani 1 1 d . . . . .
H36 H 0.214618 0.652040 0.381307 0.023 Uiso 1 1 calc R U . . .
C33 C 0.0046(4) 0.8269(3) 0.50955(18) 0.0241(9) Uani 1 1 d . . . . .
H33 H -0.049406 0.872389 0.541760 0.029 Uiso 1 1 calc R U . . .
C1 C 0.3619(4) 0.5436(3) 0.23259(16) 0.0157(7) Uani 1 1 d . . . . .
C13 C 0.6760(4) 0.9890(3) 0.31759(16) 0.0209(8) Uani 1 1 d . U . . .
C12 C 0.3554(4) 1.0792(3) 0.18368(17) 0.0215(8) Uani 1 1 d . . . . .
C49 C 0.9590(4) 0.5833(3) 0.11239(16) 0.0157(7) Uani 1 1 d . . . . .
C45 C 0.8777(4) 0.9350(3) -0.01875(17) 0.0237(9) Uani 1 1 d . . . . .
H45 H 0.941071 0.947972 -0.053279 0.028 Uiso 1 1 calc R U . . .
C30 C 0.2804(4) 1.0086(3) 0.36109(17) 0.0217(8) Uani 1 1 d . . . . .
H30 H 0.240413 0.975584 0.338181 0.026 Uiso 1 1 calc R U . . .
C60 C 0.9470(4) 0.7574(4) 0.24047(17) 0.0237(9) Uani 1 1 d . . . . .
H60 H 0.875778 0.729857 0.262706 0.028 Uiso 1 1 calc R U . . .
C42 C 0.4132(4) 0.6662(4) 0.52275(18) 0.0269(9) Uani 1 1 d . . . . .
H42 H 0.320591 0.681951 0.533610 0.032 Uiso 1 1 calc R U . . .
C4 C 0.2937(5) 0.4498(4) 0.26553(18) 0.0300(10) Uani 1 1 d . . . . .
C35 C 0.0378(4) 0.6849(4) 0.43927(18) 0.0259(9) Uani 1 1 d . . . . .
H35 H 0.005724 0.633054 0.423534 0.031 Uiso 1 1 calc R U . . .
C23 C 0.7608(4) 0.1610(3) 0.14288(18) 0.0266(9) Uani 1 1 d . . . . .
H23 H 0.735109 0.121033 0.117155 0.032 Uiso 1 1 calc R U . . .
C7 C 0.4742(4) 0.7026(3) -0.02940(18) 0.0272(9) Uani 1 1 d . . . . .
H7 H 0.502412 0.734260 -0.069480 0.033 Uiso 1 1 calc R U . . .
C52 C 1.0944(5) 0.3639(4) 0.0671(2) 0.0352(11) Uani 1 1 d . . . . .
H52 H 1.140353 0.287958 0.052583 0.042 Uiso 1 1 calc R U . . .
C39 C 0.6818(4) 0.6206(4) 0.4913(2) 0.0311(10) Uani 1 1 d . . . . .
H39 H 0.774522 0.604836 0.480771 0.037 Uiso 1 1 calc R U . . .
C34 C -0.0400(4) 0.7497(4) 0.48741(18) 0.0259(9) Uani 1 1 d . . . . .
H34 H -0.124146 0.740579 0.504986 0.031 Uiso 1 1 calc R U . . .
C53 C 0.9602(4) 0.4079(4) 0.07279(19) 0.0309(10) Uani 1 1 d . . . . .
H53 H 0.913478 0.362938 0.061231 0.037 Uiso 1 1 calc R U . . .
C6 C 0.3889(4) 0.6402(4) -0.01212(17) 0.0291(10) Uani 1 1 d . . . . .
H6 H 0.345460 0.620232 -0.038705 0.035 Uiso 1 1 calc R U . . .
C26 C 0.4130(5) 0.9827(3) 0.43544(19) 0.0280(10) Uani 1 1 d . . . . .
H26 H 0.465291 0.932660 0.463236 0.034 Uiso 1 1 calc R U . . .
C50 C 1.0940(5) 0.5400(4) 0.1050(2) 0.0406(13) Uani 1 1 d . . . . .
H50 H 1.141356 0.585636 0.115416 0.049 Uiso 1 1 calc R U . . .
C59 C 1.0278(4) 0.7873(4) 0.27122(19) 0.0330(10) Uani 1 1 d . . . . .
H59 H 1.011049 0.780210 0.314285 0.040 Uiso 1 1 calc R U . . .
C29 C 0.2614(4) 1.1303(3) 0.35407(17) 0.0257(9) Uani 1 1 d . . . . .
H29 H 0.211279 1.180751 0.325559 0.031 Uiso 1 1 calc R U . . .
C40 C 0.6249(5) 0.5852(3) 0.5495(2) 0.0298(10) Uani 1 1 d . . . . .
H40 H 0.678531 0.545897 0.578690 0.036 Uiso 1 1 calc R U . . .
C54 C 0.8927(4) 0.5170(4) 0.09522(19) 0.0283(9) Uani 1 1 d . . . . .
H54 H 0.799911 0.546672 0.098885 0.034 Uiso 1 1 calc R U . . .
C28 C 0.3162(4) 1.1779(3) 0.38901(18) 0.0282(10) Uani 1 1 d . . . . .
H28 H 0.301243 1.261979 0.385370 0.034 Uiso 1 1 calc R U . . .
C22 C 0.8652(4) 0.1178(3) 0.16963(19) 0.0288(10) Uani 1 1 d . . . . .
H22 H 0.926068 0.039995 0.166222 0.035 Uiso 1 1 calc R U . . .
C41 C 0.4917(5) 0.6069(4) 0.56491(19) 0.0317(10) Uani 1 1 d . . . . .
H41 H 0.452983 0.581362 0.604501 0.038 Uiso 1 1 calc R U . . .
C27 C 0.3917(5) 1.1056(4) 0.4287(2) 0.0353(11) Uani 1 1 d . . . . .
H27 H 0.429943 1.139627 0.451986 0.042 Uiso 1 1 calc R U . . .
C15 C 0.7479(5) 1.1064(4) 0.3558(2) 0.0423(12) Uani 1 1 d . U . . .
H15 H 0.764381 1.175821 0.363404 0.051 Uiso 1 1 calc R U . . .
C51 C 1.1615(5) 0.4302(4) 0.0824(3) 0.0537(16) Uani 1 1 d . . . . .
H51 H 1.254562 0.401049 0.077634 0.064 Uiso 1 1 calc R U . . .
C14 C 0.7897(5) 0.9979(4) 0.3835(2) 0.0454(13) Uani 1 1 d . U . . .
H14 H 0.842135 0.976051 0.413859 0.054 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Tb1 O2 2.415(2) . ?
Tb1 O11 2.323(2) . ?
Tb1 O5 2.414(2) . ?
Tb1 O8 2.393(2) . ?
Tb1 O7 2.347(2) . ?
Tb1 O1 2.337(2) . ?
Tb1 O10 2.342(2) . ?
Tb1 O4 2.339(2) . ?
P2 O11 1.491(3) . ?
P2 C55 1.802(3) . ?
P2 C43 1.803(3) . ?
P2 C49 1.793(4) . ?
P1 O10 1.495(3) . ?
P1 C25 1.796(4) . ?
P1 C37 1.794(4) . ?
P1 C31 1.795(4) . ?
F2 C4 1.321(5) . ?
F8 C20 1.330(4) . ?
F4 C12 1.328(5) . ?
F9 C20 1.332(4) . ?
F5 C12 1.344(4) . ?
O2 C3 1.250(4) . ?
F7 C20 1.333(4) . ?
O5 C11 1.250(4) . ?
F6 C12 1.332(4) . ?
O3 C5 1.372(4) . ?
O3 C6 1.358(4) . ?
O8 C19 1.248(4) . ?
O7 C17 1.268(4) . ?
O1 C1 1.267(4) . ?
O9 C21 1.359(4) . ?
O9 C22 1.358(4) . ?
O4 C9 1.265(4) . ?
F3 C4 1.346(5) . ?
F1 C4 1.312(5) . ?
O6 C13 1.357(5) . ?
O6 C14 1.400(5) . ?
C25 C30 1.387(5) . ?
C25 C26 1.389(5) . ?
C56 H56 0.9500 . ?
C56 C55 1.396(5) . ?
C56 C57 1.385(5) . ?
C37 C38 1.384(5) . ?
C37 C42 1.389(5) . ?
C55 C60 1.380(5) . ?
C3 C2 1.428(5) . ?
C3 C5 1.469(5) . ?
C16 H16 0.9500 . ?
C16 C13 1.335(5) . ?
C16 C15 1.382(6) . ?
C31 C32 1.394(5) . ?
C31 C36 1.385(5) . ?
C48 H48 0.9500 . ?
C48 C43 1.395(5) . ?
C48 C47 1.386(5) . ?
C24 H24 0.9500 . ?
C24 C21 1.350(5) . ?
C24 C23 1.418(5) . ?
C43 C44 1.382(5) . ?
C19 C18 1.414(5) . ?
C19 C21 1.469(5) . ?
C18 H18 0.9500 . ?
C18 C17 1.372(5) . ?
C10 H10 0.9500 . ?
C10 C11 1.413(5) . ?
C10 C9 1.382(5) . ?
C11 C13 1.459(5) . ?
C2 H2 0.9500 . ?
C2 C1 1.361(5) . ?
C58 H58 0.9500 . ?
C58 C57 1.379(5) . ?
C58 C59 1.372(6) . ?
C57 H57 0.9500 . ?
C9 C12 1.526(5) . ?
C5 C8 1.339(5) . ?
C44 H44 0.9500 . ?
C44 C45 1.397(5) . ?
C20 C17 1.525(5) . ?
C32 H32 0.9500 . ?
C32 C33 1.376(5) . ?
C38 H38 0.9500 . ?
C38 C39 1.382(6) . ?
C47 H47 0.9500 . ?
C47 C46 1.383(5) . ?
C8 H8 0.9500 . ?
C8 C7 1.412(5) . ?
C46 H46 0.9500 . ?
C46 C45 1.373(6) . ?
C36 H36 0.9500 . ?
C36 C35 1.385(5) . ?
C33 H33 0.9500 . ?
C33 C34 1.376(5) . ?
C1 C4 1.540(5) . ?
C49 C50 1.377(6) . ?
C49 C54 1.381(5) . ?
C45 H45 0.9500 . ?
C30 H30 0.9500 . ?
C30 C29 1.379(5) . ?
C60 H60 0.9500 . ?
C60 C59 1.404(5) . ?
C42 H42 0.9500 . ?
C42 C41 1.385(6) . ?
C35 H35 0.9500 . ?
C35 C34 1.394(6) . ?
C23 H23 0.9500 . ?
C23 C22 1.334(6) . ?
C7 H7 0.9500 . ?
C7 C6 1.328(6) . ?
C52 H52 0.9500 . ?
C52 C53 1.373(6) . ?
C52 C51 1.367(6) . ?
C39 H39 0.9500 . ?
C39 C40 1.389(6) . ?
C34 H34 0.9500 . ?
C53 H53 0.9500 . ?
C53 C54 1.381(6) . ?
C6 H6 0.9500 . ?
C26 H26 0.9500 . ?
C26 C27 1.389(5) . ?
C50 H50 0.9500 . ?
C50 C51 1.389(6) . ?
C59 H59 0.9500 . ?
C29 H29 0.9500 . ?
C29 C28 1.380(6) . ?
C40 H40 0.9500 . ?
C40 C41 1.366(6) . ?
C54 H54 0.9500 . ?
C28 H28 0.9500 . ?
C28 C27 1.365(6) . ?
C22 H22 0.9500 . ?
C41 H41 0.9500 . ?
C27 H27 0.9500 . ?
C15 H15 0.9500 . ?
C15 C14 1.321(6) . ?
C51 H51 0.9500 . ?
C14 H14 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O11 Tb1 O2 76.13(8) . . ?
O11 Tb1 O5 73.92(8) . . ?
O11 Tb1 O8 80.52(8) . . ?
O11 Tb1 O7 82.67(9) . . ?
O11 Tb1 O1 143.34(8) . . ?
O11 Tb1 O10 145.88(8) . . ?
O11 Tb1 O4 90.90(9) . . ?
O5 Tb1 O2 130.87(8) . . ?
O8 Tb1 O2 70.77(8) . . ?
O8 Tb1 O5 138.54(8) . . ?
O7 Tb1 O2 138.69(8) . . ?
O7 Tb1 O5 73.73(8) . . ?
O7 Tb1 O8 71.04(8) . . ?
O1 Tb1 O2 73.08(8) . . ?
O1 Tb1 O5 142.46(9) . . ?
O1 Tb1 O8 70.95(9) . . ?
O1 Tb1 O7 108.21(8) . . ?
O1 Tb1 O10 70.69(8) . . ?
O1 Tb1 O4 97.16(9) . . ?
O10 Tb1 O2 132.77(9) . . ?
O10 Tb1 O5 72.60(8) . . ?
O10 Tb1 O8 122.15(8) . . ?
O10 Tb1 O7 81.94(9) . . ?
O4 Tb1 O2 70.62(8) . . ?
O4 Tb1 O5 71.86(8) . . ?
O4 Tb1 O8 141.39(8) . . ?
O4 Tb1 O7 145.45(8) . . ?
O4 Tb1 O10 84.87(9) . . ?
O11 P2 C55 111.34(15) . . ?
O11 P2 C43 110.37(16) . . ?
O11 P2 C49 111.94(15) . . ?
C55 P2 C43 108.66(15) . . ?
C49 P2 C55 107.78(17) . . ?
C49 P2 C43 106.57(16) . . ?
O10 P1 C25 113.47(15) . . ?
O10 P1 C37 112.45(16) . . ?
O10 P1 C31 111.02(16) . . ?
C37 P1 C25 107.87(16) . . ?
C37 P1 C31 107.45(17) . . ?
C31 P1 C25 104.07(17) . . ?
C3 O2 Tb1 133.2(2) . . ?
P2 O11 Tb1 176.62(16) . . ?
C11 O5 Tb1 135.2(2) . . ?
C6 O3 C5 106.0(3) . . ?
C19 O8 Tb1 137.3(2) . . ?
C17 O7 Tb1 134.3(2) . . ?
C1 O1 Tb1 131.0(2) . . ?
P1 O10 Tb1 157.40(15) . . ?
C22 O9 C21 106.2(3) . . ?
C9 O4 Tb1 133.4(2) . . ?
C13 O6 C14 105.4(3) . . ?
C30 C25 P1 117.2(3) . . ?
C30 C25 C26 119.2(3) . . ?
C26 C25 P1 123.5(3) . . ?
C55 C56 H56 119.8 . . ?
C57 C56 H56 119.8 . . ?
C57 C56 C55 120.5(3) . . ?
C38 C37 P1 118.3(3) . . ?
C38 C37 C42 119.8(4) . . ?
C42 C37 P1 121.8(3) . . ?
C56 C55 P2 124.1(3) . . ?
C60 C55 P2 116.6(3) . . ?
C60 C55 C56 119.3(3) . . ?
O2 C3 C2 125.6(3) . . ?
O2 C3 C5 116.9(3) . . ?
C2 C3 C5 117.5(3) . . ?
C13 C16 H16 126.6 . . ?
C13 C16 C15 106.7(4) . . ?
C15 C16 H16 126.6 . . ?
C32 C31 P1 121.3(3) . . ?
C36 C31 P1 118.7(3) . . ?
C36 C31 C32 120.0(4) . . ?
C43 C48 H48 120.1 . . ?
C47 C48 H48 120.1 . . ?
C47 C48 C43 119.8(4) . . ?
C21 C24 H24 127.0 . . ?
C21 C24 C23 106.0(3) . . ?
C23 C24 H24 127.0 . . ?
C48 C43 P2 117.3(3) . . ?
C44 C43 P2 122.9(3) . . ?
C44 C43 C48 119.8(3) . . ?
O8 C19 C18 124.6(3) . . ?
O8 C19 C21 116.9(3) . . ?
C18 C19 C21 118.4(3) . . ?
C19 C18 H18 119.5 . . ?
C17 C18 C19 120.9(3) . . ?
C17 C18 H18 119.5 . . ?
C11 C10 H10 119.3 . . ?
C9 C10 H10 119.3 . . ?
C9 C10 C11 121.4(3) . . ?
O5 C11 C10 125.1(3) . . ?
O5 C11 C13 117.6(3) . . ?
C10 C11 C13 117.3(3) . . ?
C3 C2 H2 119.0 . . ?
C1 C2 C3 121.9(3) . . ?
C1 C2 H2 119.0 . . ?
C57 C58 H58 119.8 . . ?
C59 C58 H58 119.8 . . ?
C59 C58 C57 120.5(4) . . ?
C56 C57 H57 120.1 . . ?
C58 C57 C56 119.8(4) . . ?
C58 C57 H57 120.1 . . ?
O4 C9 C10 129.2(3) . . ?
O4 C9 C12 112.9(3) . . ?
C10 C9 C12 117.8(3) . . ?
O9 C21 C19 118.4(3) . . ?
C24 C21 O9 110.3(3) . . ?
C24 C21 C19 131.2(3) . . ?
O3 C5 C3 117.7(3) . . ?
C8 C5 O3 109.5(3) . . ?
C8 C5 C3 132.8(3) . . ?
C43 C44 H44 119.9 . . ?
C43 C44 C45 120.2(4) . . ?
C45 C44 H44 119.9 . . ?
F8 C20 F9 106.8(3) . . ?
F8 C20 F7 107.1(3) . . ?
F8 C20 C17 114.0(3) . . ?
F9 C20 F7 106.5(3) . . ?
F9 C20 C17 110.4(3) . . ?
F7 C20 C17 111.6(3) . . ?
C31 C32 H32 119.8 . . ?
C33 C32 C31 120.4(4) . . ?
C33 C32 H32 119.8 . . ?
O7 C17 C18 129.2(3) . . ?
O7 C17 C20 113.3(3) . . ?
C18 C17 C20 117.5(3) . . ?
C37 C38 H38 120.3 . . ?
C39 C38 C37 119.4(4) . . ?
C39 C38 H38 120.3 . . ?
C48 C47 H47 120.1 . . ?
C46 C47 C48 119.8(4) . . ?
C46 C47 H47 120.1 . . ?
C5 C8 H8 126.5 . . ?
C5 C8 C7 107.1(3) . . ?
C7 C8 H8 126.5 . . ?
C47 C46 H46 119.5 . . ?
C45 C46 C47 120.9(3) . . ?
C45 C46 H46 119.5 . . ?
C31 C36 H36 120.3 . . ?
C35 C36 C31 119.3(4) . . ?
C35 C36 H36 120.3 . . ?
C32 C33 H33 120.1 . . ?
C34 C33 C32 119.8(4) . . ?
C34 C33 H33 120.1 . . ?
O1 C1 C2 129.9(3) . . ?
O1 C1 C4 113.3(3) . . ?
C2 C1 C4 116.7(3) . . ?
O6 C13 C11 120.9(3) . . ?
C16 C13 O6 110.5(3) . . ?
C16 C13 C11 128.5(3) . . ?
F4 C12 F5 105.9(3) . . ?
F4 C12 F6 107.8(3) . . ?
F4 C12 C9 111.5(3) . . ?
F5 C12 C9 110.9(3) . . ?
F6 C12 F5 106.0(3) . . ?
F6 C12 C9 114.3(3) . . ?
C50 C49 P2 122.8(3) . . ?
C50 C49 C54 118.6(4) . . ?
C54 C49 P2 118.5(3) . . ?
C44 C45 H45 120.3 . . ?
C46 C45 C44 119.5(4) . . ?
C46 C45 H45 120.3 . . ?
C25 C30 H30 119.5 . . ?
C29 C30 C25 120.9(4) . . ?
C29 C30 H30 119.5 . . ?
C55 C60 H60 120.1 . . ?
C55 C60 C59 119.9(4) . . ?
C59 C60 H60 120.1 . . ?
C37 C42 H42 119.9 . . ?
C41 C42 C37 120.2(4) . . ?
C41 C42 H42 119.9 . . ?
F2 C4 F3 106.5(3) . . ?
F2 C4 C1 112.6(3) . . ?
F3 C4 C1 108.8(4) . . ?
F1 C4 F2 108.7(4) . . ?
F1 C4 F3 106.0(4) . . ?
F1 C4 C1 113.7(3) . . ?
C36 C35 H35 119.9 . . ?
C36 C35 C34 120.2(4) . . ?
C34 C35 H35 119.9 . . ?
C24 C23 H23 126.7 . . ?
C22 C23 C24 106.6(3) . . ?
C22 C23 H23 126.7 . . ?
C8 C7 H7 126.8 . . ?
C6 C7 C8 106.4(4) . . ?
C6 C7 H7 126.8 . . ?
C53 C52 H52 120.2 . . ?
C51 C52 H52 120.2 . . ?
C51 C52 C53 119.6(4) . . ?
C38 C39 H39 119.8 . . ?
C38 C39 C40 120.4(4) . . ?
C40 C39 H39 119.8 . . ?
C33 C34 C35 120.2(4) . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
C52 C53 H53 119.8 . . ?
C52 C53 C54 120.3(4) . . ?
C54 C53 H53 119.8 . . ?
O3 C6 H6 124.5 . . ?
C7 C6 O3 110.9(3) . . ?
C7 C6 H6 124.5 . . ?
C25 C26 H26 120.3 . . ?
C27 C26 C25 119.4(4) . . ?
C27 C26 H26 120.3 . . ?
C49 C50 H50 119.7 . . ?
C49 C50 C51 120.6(4) . . ?
C51 C50 H50 119.7 . . ?
C58 C59 C60 120.0(4) . . ?
C58 C59 H59 120.0 . . ?
C60 C59 H59 120.0 . . ?
C30 C29 H29 120.4 . . ?
C30 C29 C28 119.1(4) . . ?
C28 C29 H29 120.4 . . ?
C39 C40 H40 120.0 . . ?
C41 C40 C39 120.1(4) . . ?
C41 C40 H40 120.0 . . ?
C49 C54 H54 119.7 . . ?
C53 C54 C49 120.6(4) . . ?
C53 C54 H54 119.7 . . ?
C29 C28 H28 119.6 . . ?
C27 C28 C29 120.8(4) . . ?
C27 C28 H28 119.6 . . ?
O9 C22 H22 124.6 . . ?
C23 C22 O9 110.9(3) . . ?
C23 C22 H22 124.6 . . ?
C42 C41 H41 120.0 . . ?
C40 C41 C42 119.9(4) . . ?
C40 C41 H41 120.0 . . ?
C26 C27 H27 119.8 . . ?
C28 C27 C26 120.5(4) . . ?
C28 C27 H27 119.8 . . ?
C16 C15 H15 125.6 . . ?
C14 C15 C16 108.9(4) . . ?
C14 C15 H15 125.6 . . ?
C52 C51 C50 120.2(5) . . ?
C52 C51 H51 119.9 . . ?
C50 C51 H51 119.9 . . ?
O6 C14 H14 125.8 . . ?
C15 C14 O6 108.5(4) . . ?
C15 C14 H14 125.8 . . ?

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 O2 C3 C2 5.7(5) . . . . ?
Tb1 O2 C3 C5 -174.8(2) . . . . ?
Tb1 O5 C11 C10 6.2(6) . . . . ?
Tb1 O5 C11 C13 -175.7(2) . . . . ?
Tb1 O8 C19 C18 3.6(6) . . . . ?
Tb1 O8 C19 C21 -178.6(2) . . . . ?
Tb1 O7 C17 C18 -15.0(6) . . . . ?
Tb1 O7 C17 C20 168.1(2) . . . . ?
Tb1 O1 C1 C2 -24.2(6) . . . . ?
Tb1 O1 C1 C4 153.7(3) . . . . ?
Tb1 O4 C9 C10 -15.7(6) . . . . ?
Tb1 O4 C9 C12 167.1(2) . . . . ?
P2 C55 C60 C59 178.0(3) . . . . ?
P2 C43 C44 C45 -178.3(3) . . . . ?
P2 C49 C50 C51 178.7(4) . . . . ?
P2 C49 C54 C53 -178.7(3) . . . . ?
P1 C25 C30 C29 178.6(3) . . . . ?
P1 C25 C26 C27 -177.4(4) . . . . ?
P1 C37 C38 C39 -179.5(3) . . . . ?
P1 C37 C42 C41 178.6(3) . . . . ?
P1 C31 C32 C33 -176.3(3) . . . . ?
P1 C31 C36 C35 176.4(3) . . . . ?
F8 C20 C17 O7 -166.6(3) . . . . ?
F8 C20 C17 C18 16.1(5) . . . . ?
F9 C20 C17 O7 73.2(4) . . . . ?
F9 C20 C17 C18 -104.1(4) . . . . ?
O2 C3 C2 C1 8.5(6) . . . . ?
O2 C3 C5 O3 -170.6(3) . . . . ?
O2 C3 C5 C8 7.6(6) . . . . ?
F7 C20 C17 O7 -45.1(4) . . . . ?
F7 C20 C17 C18 137.6(3) . . . . ?
O11 P2 C55 C56 -165.2(3) . . . . ?
O11 P2 C55 C60 16.5(3) . . . . ?
O11 P2 C43 C48 7.0(3) . . . . ?
O11 P2 C43 C44 -173.3(3) . . . . ?
O11 P2 C49 C50 -137.7(4) . . . . ?
O11 P2 C49 C54 42.9(3) . . . . ?
O5 C11 C13 O6 -3.5(6) . . . . ?
O5 C11 C13 C16 179.3(4) . . . . ?
O3 C5 C8 C7 -0.6(4) . . . . ?
O8 C19 C18 C17 8.2(6) . . . . ?
O8 C19 C21 O9 178.1(3) . . . . ?
O8 C19 C21 C24 -4.9(6) . . . . ?
O1 C1 C4 F2 30.4(5) . . . . ?
O1 C1 C4 F3 -87.4(4) . . . . ?
O1 C1 C4 F1 154.7(4) . . . . ?
O10 P1 C25 C30 57.3(3) . . . . ?
O10 P1 C25 C26 -125.6(3) . . . . ?
O10 P1 C37 C38 47.1(3) . . . . ?
O10 P1 C37 C42 -130.7(3) . . . . ?
O10 P1 C31 C32 -166.0(3) . . . . ?
O10 P1 C31 C36 15.2(3) . . . . ?
O4 C9 C12 F4 64.0(4) . . . . ?
O4 C9 C12 F5 -53.7(4) . . . . ?
O4 C9 C12 F6 -173.5(3) . . . . ?
C25 P1 O10 Tb1 38.8(5) . . . . ?
C25 P1 C37 C38 -78.7(3) . . . . ?
C25 P1 C37 C42 103.5(3) . . . . ?
C25 P1 C31 C32 -43.6(3) . . . . ?
C25 P1 C31 C36 137.6(3) . . . . ?
C25 C30 C29 C28 -2.2(6) . . . . ?
C25 C26 C27 C28 0.2(7) . . . . ?
C56 C55 C60 C59 -0.5(6) . . . . ?
C37 P1 O10 Tb1 -84.0(4) . . . . ?
C37 P1 C25 C30 -177.5(3) . . . . ?
C37 P1 C25 C26 -0.3(4) . . . . ?
C37 P1 C31 C32 70.7(3) . . . . ?
C37 P1 C31 C36 -108.2(3) . . . . ?
C37 C38 C39 C40 1.0(6) . . . . ?
C37 C42 C41 C40 0.6(6) . . . . ?
C55 P2 C43 C48 -115.3(3) . . . . ?
C55 P2 C43 C44 64.4(3) . . . . ?
C55 P2 C49 C50 -14.9(4) . . . . ?
C55 P2 C49 C54 165.7(3) . . . . ?
C55 C56 C57 C58 0.2(6) . . . . ?
C55 C60 C59 C58 -0.2(7) . . . . ?
C3 C2 C1 O1 1.0(6) . . . . ?
C3 C2 C1 C4 -176.9(3) . . . . ?
C3 C5 C8 C7 -178.9(4) . . . . ?
C16 C15 C14 O6 -1.0(6) . . . . ?
C31 P1 O10 Tb1 155.6(4) . . . . ?
C31 P1 C25 C30 -63.5(3) . . . . ?
C31 P1 C25 C26 113.6(4) . . . . ?
C31 P1 C37 C38 169.6(3) . . . . ?
C31 P1 C37 C42 -8.2(3) . . . . ?
C31 C32 C33 C34 -0.6(6) . . . . ?
C31 C36 C35 C34 0.5(6) . . . . ?
C48 C43 C44 C45 1.5(5) . . . . ?
C48 C47 C46 C45 1.4(6) . . . . ?
C24 C23 C22 O9 -1.0(5) . . . . ?
C43 P2 C55 C56 -43.4(4) . . . . ?
C43 P2 C55 C60 138.2(3) . . . . ?
C43 P2 C49 C50 101.6(4) . . . . ?
C43 P2 C49 C54 -77.8(3) . . . . ?
C43 C48 C47 C46 -0.5(5) . . . . ?
C43 C44 C45 C46 -0.6(6) . . . . ?
C19 C18 C17 O7 -2.7(6) . . . . ?
C19 C18 C17 C20 174.1(3) . . . . ?
C18 C19 C21 O9 -4.0(5) . . . . ?
C18 C19 C21 C24 173.0(4) . . . . ?
C10 C11 C13 O6 174.7(4) . . . . ?
C10 C11 C13 C16 -2.4(6) . . . . ?
C10 C9 C12 F4 -113.5(4) . . . . ?
C10 C9 C12 F5 128.8(4) . . . . ?
C10 C9 C12 F6 9.0(5) . . . . ?
C11 C10 C9 O4 -5.5(6) . . . . ?
C11 C10 C9 C12 171.5(3) . . . . ?
C2 C3 C5 O3 9.0(5) . . . . ?
C2 C3 C5 C8 -172.8(4) . . . . ?
C2 C1 C4 F2 -151.4(4) . . . . ?
C2 C1 C4 F3 90.8(4) . . . . ?
C2 C1 C4 F1 -27.1(6) . . . . ?
C57 C56 C55 P2 -177.8(3) . . . . ?
C57 C56 C55 C60 0.5(5) . . . . ?
C57 C58 C59 C60 0.9(7) . . . . ?
C9 C10 C11 O5 10.0(6) . . . . ?
C9 C10 C11 C13 -168.1(3) . . . . ?
C21 O9 C22 C23 0.5(5) . . . . ?
C21 C24 C23 C22 1.1(5) . . . . ?
C21 C19 C18 C17 -169.5(3) . . . . ?
C5 O3 C6 C7 0.0(5) . . . . ?
C5 C3 C2 C1 -171.1(3) . . . . ?
C5 C8 C7 C6 0.5(5) . . . . ?
C32 C31 C36 C35 -2.5(5) . . . . ?
C32 C33 C34 C35 -1.4(6) . . . . ?
C38 C37 C42 C41 0.8(6) . . . . ?
C38 C39 C40 C41 0.4(6) . . . . ?
C47 C48 C43 P2 178.9(3) . . . . ?
C47 C48 C43 C44 -0.9(5) . . . . ?
C47 C46 C45 C44 -0.8(6) . . . . ?
C8 C7 C6 O3 -0.3(5) . . . . ?
C36 C31 C32 C33 2.5(6) . . . . ?
C36 C35 C34 C33 1.5(6) . . . . ?
C13 O6 C14 C15 1.3(6) . . . . ?
C13 C16 C15 C14 0.3(6) . . . . ?
C49 P2 C55 C56 71.7(3) . . . . ?
C49 P2 C55 C60 -106.6(3) . . . . ?
C49 P2 C43 C48 128.8(3) . . . . ?
C49 P2 C43 C44 -51.5(3) . . . . ?
C49 C50 C51 C52 0.2(9) . . . . ?
C30 C25 C26 C27 -0.4(6) . . . . ?
C30 C29 C28 C27 2.0(7) . . . . ?
C42 C37 C38 C39 -1.6(6) . . . . ?
C23 C24 C21 O9 -0.8(4) . . . . ?
C23 C24 C21 C19 -178.0(4) . . . . ?
C52 C53 C54 C49 -0.2(7) . . . . ?
C39 C40 C41 C42 -1.2(6) . . . . ?
C53 C52 C51 C50 1.5(8) . . . . ?
C6 O3 C5 C3 179.0(3) . . . . ?
C6 O3 C5 C8 0.4(4) . . . . ?
C26 C25 C30 C29 1.4(6) . . . . ?
C50 C49 C54 C53 1.9(6) . . . . ?
C59 C58 C57 C56 -0.9(6) . . . . ?
C29 C28 C27 C26 -1.1(7) . . . . ?
C54 C49 C50 C51 -1.9(7) . . . . ?
C22 O9 C21 C24 0.2(4) . . . . ?
C22 O9 C21 C19 177.8(3) . . . . ?
C15 C16 C13 O6 0.5(5) . . . . ?
C15 C16 C13 C11 177.9(4) . . . . ?
C51 C52 C53 C54 -1.5(7) . . . . ?
C14 O6 C13 C16 -1.1(5) . . . . ?
C14 O6 C13 C11 -178.7(4) . . . . ?

_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_2024_04_30_ai_909_eu_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2357262'
loop_
_audit_author_name
_audit_author_address
'Victoria Gontcharenko'
;MSU
Russia
;
_audit_update_record             
;
2024-10-21 deposited with the CCDC.	2025-04-29 downloaded from the CCDC.
;
_audit_creation_date             2024-05-07
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H42 Eu F9 O11 P2'
_chemical_formula_sum            'C60 H42 Eu F9 O11 P2'
_chemical_formula_weight         1323.83
_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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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                   10.9872(6)
_cell_length_b                   11.9498(7)
_cell_length_c                   22.8307(13)
_cell_angle_alpha                80.381(2)
_cell_angle_beta                 76.839(2)
_cell_angle_gamma                70.971(2)
_cell_volume                     2745.2(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9990
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      33.07
_cell_measurement_theta_min      2.35
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.294
_exptl_absorpt_correction_T_max  0.7466
_exptl_absorpt_correction_T_min  0.5897
_exptl_absorpt_correction_type   'multi scan'
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0854 before and 0.0579 after correction.
The Ratio of minimum to maximum transmission is 0.7898.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.602
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0539
_diffrn_reflns_av_unetI/netI     0.0631
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.889
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            57556
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.889
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.324
_diffrn_reflns_theta_min         2.114
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.889
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15589
_reflns_number_total             18880
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.989
_refine_diff_density_min         -1.290
_refine_diff_density_rms         0.145
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     748
_refine_ls_number_reflns         18880
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0635
_refine_ls_R_factor_gt           0.0443
_refine_ls_restrained_S_all      1.091
_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)+(0.0001P)²+5.4492P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0738
_refine_ls_wR_factor_ref         0.0843
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Rigid body (RIGU) restrains
 O6, C13
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C15, C16
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.004
3.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C6(H6), C7(H7), C8(H8), C10(H10), C14(H14), C15(H15), C16(H16),
 C18(H18), C22(H22), C23(H23), C24(H24), C26(H26), C27(H27), C28(H28), C29(H29),
  C30(H30), C32(H32), C33(H33), C34(H34), C35(H35), C36(H36), C38(H38),
 C39(H39), C40(H40), C41(H41), C42(H42), C44(H44), C45(H45), C46(H46), C47(H47),
  C48(H48), C50(H50), C51(H51), C52(H52), C53(H53), C54(H54), C56(H56),
 C57(H57), C58(H58), C59(H59), C60(H60)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.55842(2) 0.68671(2) 0.25386(2) 0.01375(3) Uani 1 1 d . . . . .
P1 P 0.36988(7) 0.77658(6) 0.40898(3) 0.01762(13) Uani 1 1 d . . . . .
P2 P 0.86721(6) 0.72238(6) 0.14226(3) 0.01467(13) Uani 1 1 d . . . . .
F1 F 0.2146(3) 0.4291(3) 0.23413(10) 0.0708(9) Uani 1 1 d . . . . .
F2 F 0.22539(19) 0.47500(18) 0.31943(8) 0.0341(4) Uani 1 1 d . . . . .
F3 F 0.3853(3) 0.34275(19) 0.27329(12) 0.0665(8) Uani 1 1 d . . . . .
F4 F 0.23172(18) 1.09735(18) 0.21043(9) 0.0386(5) Uani 1 1 d . . . . .
F5 F 0.36527(19) 1.04792(17) 0.12798(8) 0.0345(4) Uani 1 1 d . . . . .
F6 F 0.3778(2) 1.18633(16) 0.17325(10) 0.0398(5) Uani 1 1 d . . . . .
F7 F 0.9325(2) 0.54817(17) 0.35609(10) 0.0386(5) Uani 1 1 d . . . . .
F8 F 1.01144(17) 0.36308(17) 0.34129(9) 0.0329(4) Uani 1 1 d . . . . .
F9 F 0.84053(19) 0.42204(19) 0.40900(8) 0.0376(5) Uani 1 1 d . . . . .
O1 O 0.39102(19) 0.59438(17) 0.26822(9) 0.0204(4) Uani 1 1 d . . . . .
O2 O 0.50863(18) 0.68920(16) 0.15463(8) 0.0176(4) Uani 1 1 d . . . . .
O3 O 0.3718(2) 0.60691(19) 0.04778(9) 0.0261(5) Uani 1 1 d . . . . .
O4 O 0.43465(18) 0.88258(16) 0.22244(9) 0.0196(4) Uani 1 1 d . . . . .
O5 O 0.62384(19) 0.82917(17) 0.29519(9) 0.0201(4) Uani 1 1 d . . . . .
O6 O 0.7433(3) 0.9205(2) 0.36127(12) 0.0488(7) Uani 1 1 d . . . . .
O7 O 0.71558(18) 0.57059(17) 0.31370(8) 0.0191(4) Uani 1 1 d . . . . .
O8 O 0.65344(18) 0.48798(16) 0.22107(9) 0.0196(4) Uani 1 1 d . . . . .
O9 O 0.8750(2) 0.19811(18) 0.20363(10) 0.0275(5) Uani 1 1 d . . . . .
O10 O 0.4229(2) 0.72207(17) 0.35015(9) 0.0230(4) Uani 1 1 d . . . . .
O11 O 0.74588(18) 0.71315(17) 0.18585(8) 0.0191(4) Uani 1 1 d . . . . .
C1 C 0.3607(3) 0.5417(2) 0.23263(13) 0.0190(5) Uani 1 1 d . . . . .
C2 C 0.3825(3) 0.5542(2) 0.17034(12) 0.0174(5) Uani 1 1 d . . . . .
H2 H 0.352120 0.509127 0.150796 0.021 Uiso 1 1 calc R U . . .
C3 C 0.4495(2) 0.6332(2) 0.13484(12) 0.0164(5) Uani 1 1 d . . . . .
C4 C 0.2936(3) 0.4481(3) 0.26452(14) 0.0319(7) Uani 1 1 d . . . . .
C5 C 0.4504(3) 0.6534(2) 0.06925(12) 0.0187(5) Uani 1 1 d . . . . .
C6 C 0.3882(3) 0.6397(3) -0.01296(14) 0.0298(7) Uani 1 1 d . . . . .
H6 H 0.345914 0.620354 -0.039029 0.036 Uiso 1 1 calc R U . . .
C7 C 0.4730(3) 0.7034(3) -0.03027(14) 0.0290(7) Uani 1 1 d . . . . .
H7 H 0.499723 0.735288 -0.069268 0.035 Uiso 1 1 calc R U . . .
C8 C 0.5138(3) 0.7122(3) 0.02347(13) 0.0239(6) Uani 1 1 d . . . . .
H8 H 0.572795 0.751003 0.026285 0.029 Uiso 1 1 calc R U . . .
C9 C 0.4500(3) 0.9846(2) 0.21895(12) 0.0178(5) Uani 1 1 d . . . . .
C10 C 0.5323(3) 1.0187(2) 0.24418(13) 0.0210(6) Uani 1 1 d . . . . .
H10 H 0.537721 1.095952 0.234573 0.025 Uiso 1 1 calc R U . . .
C11 C 0.6102(3) 0.9389(2) 0.28489(12) 0.0194(5) Uani 1 1 d . . . . .
C12 C 0.3566(3) 1.0802(3) 0.18270(14) 0.0241(6) Uani 1 1 d . . . . .
C13 C 0.6754(3) 0.9892(3) 0.31851(13) 0.0252(6) Uani 1 1 d . . . . .
C14 C 0.7897(4) 0.9987(4) 0.38362(19) 0.0535(11) Uani 1 1 d . . . . .
H14 H 0.841789 0.977485 0.412981 0.064 Uiso 1 1 calc R U . . .
C15 C 0.7473(4) 1.1075(4) 0.35617(19) 0.0473(10) Uani 1 1 d . . . . .
H15 H 0.763377 1.175128 0.363494 0.057 Uiso 1 1 calc R U . . .
C16 C 0.6743(3) 1.1026(2) 0.31446(13) 0.0226(6) Uani 1 1 d . . . . .
H16 H 0.633129 1.165721 0.288898 0.027 Uiso 1 1 calc R U . . .
C17 C 0.8089(3) 0.4748(2) 0.30792(12) 0.0184(5) Uani 1 1 d . . . . .
C18 C 0.8349(3) 0.3890(2) 0.26947(13) 0.0212(6) Uani 1 1 d . . . . .
H18 H 0.909787 0.323947 0.269593 0.025 Uiso 1 1 calc R U . . .
C19 C 0.7489(3) 0.3984(2) 0.22961(13) 0.0190(5) Uani 1 1 d . . . . .
C20 C 0.9001(3) 0.4511(3) 0.35319(13) 0.0226(6) Uani 1 1 d . . . . .
C21 C 0.7686(3) 0.2960(2) 0.19721(13) 0.0203(5) Uani 1 1 d . . . . .
C22 C 0.8669(3) 0.1161(3) 0.17075(15) 0.0307(7) Uani 1 1 d . . . . .
H22 H 0.926575 0.040537 0.167340 0.037 Uiso 1 1 calc R U . . .
C23 C 0.7617(3) 0.1584(3) 0.14401(14) 0.0277(6) Uani 1 1 d . . . . .
H23 H 0.736207 0.119097 0.119258 0.033 Uiso 1 1 calc R U . . .
C24 C 0.6967(3) 0.2759(3) 0.16119(13) 0.0229(6) Uani 1 1 d . . . . .
H24 H 0.620323 0.328350 0.149934 0.027 Uiso 1 1 calc R U . . .
C25 C 0.3548(3) 0.9326(2) 0.40186(12) 0.0200(5) Uani 1 1 d . . . . .
C26 C 0.4095(4) 0.9817(3) 0.43627(15) 0.0328(7) Uani 1 1 d . . . . .
H26 H 0.459433 0.932927 0.463911 0.039 Uiso 1 1 calc R U . . .
C27 C 0.3899(4) 1.1040(3) 0.42952(17) 0.0399(9) Uani 1 1 d . . . . .
H27 H 0.426562 1.136739 0.452723 0.048 Uiso 1 1 calc R U . . .
C28 C 0.3163(3) 1.1766(3) 0.38857(14) 0.0329(7) Uani 1 1 d . . . . .
H28 H 0.303163 1.258284 0.384340 0.039 Uiso 1 1 calc R U . . .
C29 C 0.2622(3) 1.1291(3) 0.35395(13) 0.0279(7) Uani 1 1 d . . . . .
H29 H 0.213308 1.178220 0.326015 0.034 Uiso 1 1 calc R U . . .
C30 C 0.2806(3) 1.0074(3) 0.36080(13) 0.0244(6) Uani 1 1 d . . . . .
H30 H 0.242956 0.975503 0.337677 0.029 Uiso 1 1 calc R U . . .
C31 C 0.2055(3) 0.7707(2) 0.43857(12) 0.0181(5) Uani 1 1 d . . . . .
C32 C 0.1257(3) 0.8380(3) 0.48537(13) 0.0232(6) Uani 1 1 d . . . . .
H32 H 0.155348 0.890501 0.500004 0.028 Uiso 1 1 calc R U . . .
C33 C 0.0027(3) 0.8263(3) 0.50985(14) 0.0275(6) Uani 1 1 d . . . . .
H33 H -0.050226 0.870646 0.541131 0.033 Uiso 1 1 calc R U . . .
C34 C -0.0415(3) 0.7487(3) 0.48775(15) 0.0298(7) Uani 1 1 d . . . . .
H34 H -0.123542 0.739751 0.504808 0.036 Uiso 1 1 calc R U . . .
C35 C 0.0356(3) 0.6843(3) 0.44045(15) 0.0304(7) Uani 1 1 d . . . . .
H35 H 0.004404 0.633556 0.425309 0.036 Uiso 1 1 calc R U . . .
C36 C 0.1593(3) 0.6951(3) 0.41543(13) 0.0227(6) Uani 1 1 d . . . . .
H36 H 0.210936 0.652017 0.383477 0.027 Uiso 1 1 calc R U . . .
C37 C 0.4671(3) 0.7028(2) 0.46558(13) 0.0199(5) Uani 1 1 d . . . . .
C38 C 0.6025(3) 0.6777(3) 0.44952(15) 0.0285(7) Uani 1 1 d . . . . .
H38 H 0.640900 0.699243 0.410383 0.034 Uiso 1 1 calc R U . . .
C39 C 0.6799(3) 0.6202(3) 0.49249(17) 0.0353(8) Uani 1 1 d . . . . .
H39 H 0.770374 0.604430 0.482131 0.042 Uiso 1 1 calc R U . . .
C40 C 0.6237(4) 0.5863(3) 0.55045(17) 0.0358(8) Uani 1 1 d . . . . .
H40 H 0.676566 0.548246 0.578854 0.043 Uiso 1 1 calc R U . . .
C41 C 0.4905(4) 0.6082(3) 0.56642(16) 0.0386(8) Uani 1 1 d . . . . .
H41 H 0.453154 0.584301 0.605328 0.046 Uiso 1 1 calc R U . . .
C42 C 0.4117(3) 0.6665(3) 0.52394(14) 0.0302(7) Uani 1 1 d . . . . .
H42 H 0.321355 0.681347 0.534594 0.036 Uiso 1 1 calc R U . . .
C43 C 0.8247(3) 0.8298(2) 0.07884(12) 0.0172(5) Uani 1 1 d . . . . .
C44 C 0.9164(3) 0.8477(3) 0.02783(13) 0.0211(5) Uani 1 1 d . . . . .
H44 H 1.003522 0.801529 0.025004 0.025 Uiso 1 1 calc R U . . .
C45 C 0.8784(3) 0.9341(3) -0.01889(13) 0.0260(6) Uani 1 1 d . . . . .
H45 H 0.940339 0.946666 -0.052510 0.031 Uiso 1 1 calc R U . . .
C46 C 0.7476(3) 1.0018(3) -0.01528(14) 0.0277(6) Uani 1 1 d . . . . .
H46 H 0.722151 1.060027 -0.046373 0.033 Uiso 1 1 calc R U . . .
C47 C 0.6555(3) 0.9825(3) 0.03449(14) 0.0261(6) Uani 1 1 d . . . . .
H47 H 0.567944 1.026954 0.036469 0.031 Uiso 1 1 calc R U . . .
C48 C 0.6931(3) 0.8969(2) 0.08163(13) 0.0199(5) Uani 1 1 d . . . . .
H48 H 0.630698 0.884218 0.115018 0.024 Uiso 1 1 calc R U . . .
C49 C 0.9599(3) 0.5832(2) 0.11195(12) 0.0179(5) Uani 1 1 d . . . . .
C50 C 1.0954(3) 0.5416(3) 0.10371(19) 0.0421(10) Uani 1 1 d . . . . .
H50 H 1.141547 0.586193 0.113788 0.051 Uiso 1 1 calc R U . . .
C51 C 1.1625(4) 0.4331(4) 0.0804(2) 0.0553(12) Uani 1 1 d . . . . .
H51 H 1.253559 0.406339 0.073951 0.066 Uiso 1 1 calc R U . . .
C52 C 1.0946(4) 0.3650(3) 0.06677(17) 0.0372(8) Uani 1 1 d . . . . .
H52 H 1.139333 0.290798 0.053049 0.045 Uiso 1 1 calc R U . . .
C53 C 0.9604(3) 0.4073(3) 0.07355(16) 0.0339(8) Uani 1 1 d . . . . .
H53 H 0.914687 0.362951 0.062891 0.041 Uiso 1 1 calc R U . . .
C54 C 0.8929(3) 0.5157(3) 0.09616(15) 0.0297(7) Uani 1 1 d . . . . .
H54 H 0.802081 0.543446 0.100813 0.036 Uiso 1 1 calc R U . . .
C55 C 0.9727(2) 0.7677(2) 0.17778(12) 0.0162(5) Uani 1 1 d . . . . .
C56 C 1.0771(3) 0.8087(2) 0.14565(13) 0.0210(5) Uani 1 1 d . . . . .
H56 H 1.093639 0.816597 0.103609 0.025 Uiso 1 1 calc R U . . .
C57 C 1.1557(3) 0.8376(2) 0.17655(14) 0.0217(6) Uani 1 1 d . . . . .
H57 H 1.225144 0.864704 0.155113 0.026 Uiso 1 1 calc R U . . .
C58 C 1.1317(3) 0.8264(3) 0.23911(15) 0.0271(6) Uani 1 1 d . . . . .
H58 H 1.185241 0.845384 0.259642 0.032 Uiso 1 1 calc R U . . .
C59 C 1.0278(3) 0.7870(3) 0.27101(15) 0.0355(8) Uani 1 1 d . . . . .
H59 H 1.011120 0.780197 0.313043 0.043 Uiso 1 1 calc R U . . .
C60 C 0.9481(3) 0.7574(3) 0.24070(13) 0.0276(7) Uani 1 1 d . . . . .
H60 H 0.878472 0.730686 0.262381 0.033 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O1 2.3739(19) . ?
Eu1 O2 2.4422(18) . ?
Eu1 O4 2.3769(18) . ?
Eu1 O5 2.4390(19) . ?
Eu1 O7 2.3774(19) . ?
Eu1 O8 2.4314(19) . ?
Eu1 O10 2.3746(19) . ?
Eu1 O11 2.3574(18) . ?
P1 O10 1.502(2) . ?
P1 C25 1.800(3) . ?
P1 C31 1.798(3) . ?
P1 C37 1.795(3) . ?
P2 O11 1.4949(19) . ?
P2 C43 1.805(3) . ?
P2 C49 1.800(3) . ?
P2 C55 1.811(3) . ?
F1 C4 1.320(4) . ?
F2 C4 1.336(4) . ?
F3 C4 1.349(4) . ?
F4 C12 1.338(3) . ?
F5 C12 1.342(3) . ?
F6 C12 1.337(3) . ?
F7 C20 1.335(3) . ?
F8 C20 1.335(3) . ?
F9 C20 1.339(3) . ?
O1 C1 1.265(3) . ?
O2 C3 1.262(3) . ?
O3 C5 1.375(3) . ?
O3 C6 1.364(4) . ?
O4 C9 1.272(3) . ?
O5 C11 1.258(3) . ?
O6 C13 1.359(4) . ?
O6 C14 1.407(5) . ?
O7 C17 1.266(3) . ?
O8 C19 1.255(3) . ?
O9 C21 1.373(3) . ?
O9 C22 1.366(4) . ?
C1 C2 1.378(4) . ?
C1 C4 1.531(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.420(4) . ?
C3 C5 1.475(4) . ?
C5 C8 1.347(4) . ?
C6 H6 0.9300 . ?
C6 C7 1.341(5) . ?
C7 H7 0.9300 . ?
C7 C8 1.429(4) . ?
C8 H8 0.9300 . ?
C9 C10 1.368(4) . ?
C9 C12 1.532(4) . ?
C10 H10 0.9300 . ?
C10 C11 1.428(4) . ?
C11 C13 1.466(4) . ?
C13 C16 1.340(4) . ?
C14 H14 0.9300 . ?
C14 C15 1.329(6) . ?
C15 H15 0.9300 . ?
C15 C16 1.396(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.378(4) . ?
C17 C20 1.530(4) . ?
C18 H18 0.9300 . ?
C18 C19 1.422(4) . ?
C19 C21 1.467(4) . ?
C21 C24 1.357(4) . ?
C22 H22 0.9300 . ?
C22 C23 1.342(5) . ?
C23 H23 0.9300 . ?
C23 C24 1.428(4) . ?
C24 H24 0.9300 . ?
C25 C26 1.386(4) . ?
C25 C30 1.391(4) . ?
C26 H26 0.9300 . ?
C26 C27 1.393(4) . ?
C27 H27 0.9300 . ?
C27 C28 1.377(5) . ?
C28 H28 0.9300 . ?
C28 C29 1.373(5) . ?
C29 H29 0.9300 . ?
C29 C30 1.388(4) . ?
C30 H30 0.9300 . ?
C31 C32 1.399(4) . ?
C31 C36 1.391(4) . ?
C32 H32 0.9300 . ?
C32 C33 1.382(4) . ?
C33 H33 0.9300 . ?
C33 C34 1.383(4) . ?
C34 H34 0.9300 . ?
C34 C35 1.383(4) . ?
C35 H35 0.9300 . ?
C35 C36 1.388(4) . ?
C36 H36 0.9300 . ?
C37 C38 1.391(4) . ?
C37 C42 1.394(4) . ?
C38 H38 0.9300 . ?
C38 C39 1.390(5) . ?
C39 H39 0.9300 . ?
C39 C40 1.382(5) . ?
C40 H40 0.9300 . ?
C40 C41 1.372(5) . ?
C41 H41 0.9300 . ?
C41 C42 1.393(4) . ?
C42 H42 0.9300 . ?
C43 C44 1.393(4) . ?
C43 C48 1.399(4) . ?
C44 H44 0.9300 . ?
C44 C45 1.390(4) . ?
C45 H45 0.9300 . ?
C45 C46 1.392(4) . ?
C46 H46 0.9300 . ?
C46 C47 1.382(4) . ?
C47 H47 0.9300 . ?
C47 C48 1.391(4) . ?
C48 H48 0.9300 . ?
C49 C50 1.386(4) . ?
C49 C54 1.388(4) . ?
C50 H50 0.9300 . ?
C50 C51 1.392(5) . ?
C51 H51 0.9300 . ?
C51 C52 1.379(5) . ?
C52 H52 0.9300 . ?
C52 C53 1.375(5) . ?
C53 H53 0.9300 . ?
C53 C54 1.384(4) . ?
C54 H54 0.9300 . ?
C55 C56 1.399(4) . ?
C55 C60 1.392(4) . ?
C56 H56 0.9300 . ?
C56 C57 1.384(4) . ?
C57 H57 0.9300 . ?
C57 C58 1.384(4) . ?
C58 H58 0.9300 . ?
C58 C59 1.384(4) . ?
C59 H59 0.9300 . ?
C59 C60 1.389(4) . ?
C60 H60 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Eu1 O2 72.57(6) . . ?
O1 Eu1 O4 97.86(7) . . ?
O1 Eu1 O5 142.49(7) . . ?
O1 Eu1 O7 108.14(7) . . ?
O1 Eu1 O8 70.75(6) . . ?
O1 Eu1 O10 70.71(7) . . ?
O4 Eu1 O2 70.80(6) . . ?
O4 Eu1 O5 71.08(6) . . ?
O4 Eu1 O7 145.33(6) . . ?
O4 Eu1 O8 141.75(6) . . ?
O5 Eu1 O2 130.97(6) . . ?
O7 Eu1 O2 138.46(6) . . ?
O7 Eu1 O5 74.33(6) . . ?
O7 Eu1 O8 70.52(6) . . ?
O8 Eu1 O2 70.95(6) . . ?
O8 Eu1 O5 138.79(6) . . ?
O10 Eu1 O2 132.23(7) . . ?
O10 Eu1 O4 85.07(7) . . ?
O10 Eu1 O5 72.65(7) . . ?
O10 Eu1 O7 82.42(7) . . ?
O10 Eu1 O8 121.96(7) . . ?
O11 Eu1 O1 142.99(7) . . ?
O11 Eu1 O2 76.25(6) . . ?
O11 Eu1 O4 90.17(7) . . ?
O11 Eu1 O5 74.19(7) . . ?
O11 Eu1 O7 82.77(6) . . ?
O11 Eu1 O8 80.64(7) . . ?
O11 Eu1 O10 146.23(7) . . ?
O10 P1 C25 113.43(12) . . ?
O10 P1 C31 110.79(12) . . ?
O10 P1 C37 112.50(13) . . ?
C31 P1 C25 103.97(13) . . ?
C37 P1 C25 107.95(13) . . ?
C37 P1 C31 107.70(13) . . ?
O11 P2 C43 110.10(12) . . ?
O11 P2 C49 111.80(12) . . ?
O11 P2 C55 111.31(12) . . ?
C43 P2 C55 108.59(12) . . ?
C49 P2 C43 106.77(13) . . ?
C49 P2 C55 108.11(12) . . ?
C1 O1 Eu1 131.01(17) . . ?
C3 O2 Eu1 133.33(17) . . ?
C6 O3 C5 105.9(2) . . ?
C9 O4 Eu1 133.74(18) . . ?
C11 O5 Eu1 135.71(18) . . ?
C13 O6 C14 104.7(3) . . ?
C17 O7 Eu1 134.42(17) . . ?
C19 O8 Eu1 137.17(17) . . ?
C22 O9 C21 105.9(2) . . ?
P1 O10 Eu1 157.10(12) . . ?
P2 O11 Eu1 176.67(12) . . ?
O1 C1 C2 129.5(2) . . ?
O1 C1 C4 114.0(2) . . ?
C2 C1 C4 116.5(2) . . ?
C1 C2 H2 118.7 . . ?
C1 C2 C3 122.5(2) . . ?
C3 C2 H2 118.7 . . ?
O2 C3 C2 125.5(2) . . ?
O2 C3 C5 116.3(2) . . ?
C2 C3 C5 118.1(2) . . ?
F1 C4 F2 107.9(3) . . ?
F1 C4 F3 106.5(3) . . ?
F1 C4 C1 114.4(3) . . ?
F2 C4 F3 105.9(3) . . ?
F2 C4 C1 112.2(3) . . ?
F3 C4 C1 109.5(3) . . ?
O3 C5 C3 117.4(2) . . ?
C8 C5 O3 110.1(2) . . ?
C8 C5 C3 132.5(3) . . ?
O3 C6 H6 124.3 . . ?
C7 C6 O3 111.3(3) . . ?
C7 C6 H6 124.3 . . ?
C6 C7 H7 127.0 . . ?
C6 C7 C8 105.9(3) . . ?
C8 C7 H7 127.0 . . ?
C5 C8 C7 106.8(3) . . ?
C5 C8 H8 126.6 . . ?
C7 C8 H8 126.6 . . ?
O4 C9 C10 129.3(3) . . ?
O4 C9 C12 112.4(2) . . ?
C10 C9 C12 118.2(2) . . ?
C9 C10 H10 119.1 . . ?
C9 C10 C11 121.7(2) . . ?
C11 C10 H10 119.1 . . ?
O5 C11 C10 124.7(3) . . ?
O5 C11 C13 117.7(3) . . ?
C10 C11 C13 117.6(2) . . ?
F4 C12 F5 106.2(2) . . ?
F4 C12 C9 111.2(2) . . ?
F5 C12 C9 111.4(2) . . ?
F6 C12 F4 106.9(2) . . ?
F6 C12 F5 106.5(2) . . ?
F6 C12 C9 114.2(2) . . ?
O6 C13 C11 121.0(3) . . ?
C16 C13 O6 111.4(3) . . ?
C16 C13 C11 127.6(3) . . ?
O6 C14 H14 125.4 . . ?
C15 C14 O6 109.3(3) . . ?
C15 C14 H14 125.4 . . ?
C14 C15 H15 125.9 . . ?
C14 C15 C16 108.2(3) . . ?
C16 C15 H15 125.9 . . ?
C13 C16 C15 106.5(3) . . ?
C13 C16 H16 126.8 . . ?
C15 C16 H16 126.8 . . ?
O7 C17 C18 129.5(3) . . ?
O7 C17 C20 113.3(2) . . ?
C18 C17 C20 117.1(2) . . ?
C17 C18 H18 119.5 . . ?
C17 C18 C19 121.0(3) . . ?
C19 C18 H18 119.5 . . ?
O8 C19 C18 124.6(3) . . ?
O8 C19 C21 116.6(2) . . ?
C18 C19 C21 118.7(2) . . ?
F7 C20 F9 106.3(3) . . ?
F7 C20 C17 111.2(2) . . ?
F8 C20 F7 107.3(2) . . ?
F8 C20 F9 106.5(2) . . ?
F8 C20 C17 114.4(2) . . ?
F9 C20 C17 110.6(2) . . ?
O9 C21 C19 118.2(2) . . ?
C24 C21 O9 110.2(2) . . ?
C24 C21 C19 131.5(3) . . ?
O9 C22 H22 124.3 . . ?
C23 C22 O9 111.3(3) . . ?
C23 C22 H22 124.3 . . ?
C22 C23 H23 126.9 . . ?
C22 C23 C24 106.2(3) . . ?
C24 C23 H23 126.9 . . ?
C21 C24 C23 106.4(3) . . ?
C21 C24 H24 126.8 . . ?
C23 C24 H24 126.8 . . ?
C26 C25 P1 123.5(2) . . ?
C26 C25 C30 118.9(3) . . ?
C30 C25 P1 117.6(2) . . ?
C25 C26 H26 119.9 . . ?
C25 C26 C27 120.1(3) . . ?
C27 C26 H26 119.9 . . ?
C26 C27 H27 119.9 . . ?
C28 C27 C26 120.2(3) . . ?
C28 C27 H27 119.9 . . ?
C27 C28 H28 119.8 . . ?
C29 C28 C27 120.3(3) . . ?
C29 C28 H28 119.8 . . ?
C28 C29 H29 120.1 . . ?
C28 C29 C30 119.8(3) . . ?
C30 C29 H29 120.1 . . ?
C25 C30 H30 119.6 . . ?
C29 C30 C25 120.7(3) . . ?
C29 C30 H30 119.6 . . ?
C32 C31 P1 121.1(2) . . ?
C36 C31 P1 118.9(2) . . ?
C36 C31 C32 119.9(3) . . ?
C31 C32 H32 120.0 . . ?
C33 C32 C31 120.0(3) . . ?
C33 C32 H32 120.0 . . ?
C32 C33 H33 120.1 . . ?
C32 C33 C34 119.9(3) . . ?
C34 C33 H33 120.1 . . ?
C33 C34 H34 119.8 . . ?
C35 C34 C33 120.4(3) . . ?
C35 C34 H34 119.8 . . ?
C34 C35 H35 119.8 . . ?
C34 C35 C36 120.4(3) . . ?
C36 C35 H35 119.8 . . ?
C31 C36 H36 120.3 . . ?
C35 C36 C31 119.4(3) . . ?
C35 C36 H36 120.3 . . ?
C38 C37 P1 118.3(2) . . ?
C38 C37 C42 119.4(3) . . ?
C42 C37 P1 122.2(2) . . ?
C37 C38 H38 120.3 . . ?
C39 C38 C37 119.4(3) . . ?
C39 C38 H38 120.3 . . ?
C38 C39 H39 119.7 . . ?
C40 C39 C38 120.6(3) . . ?
C40 C39 H39 119.7 . . ?
C39 C40 H40 119.8 . . ?
C41 C40 C39 120.5(3) . . ?
C41 C40 H40 119.8 . . ?
C40 C41 H41 120.2 . . ?
C40 C41 C42 119.5(3) . . ?
C42 C41 H41 120.2 . . ?
C37 C42 H42 119.8 . . ?
C41 C42 C37 120.5(3) . . ?
C41 C42 H42 119.8 . . ?
C44 C43 P2 123.0(2) . . ?
C44 C43 C48 119.3(3) . . ?
C48 C43 P2 117.7(2) . . ?
C43 C44 H44 119.8 . . ?
C45 C44 C43 120.4(3) . . ?
C45 C44 H44 119.8 . . ?
C44 C45 H45 120.1 . . ?
C44 C45 C46 119.9(3) . . ?
C46 C45 H45 120.1 . . ?
C45 C46 H46 120.0 . . ?
C47 C46 C45 120.0(3) . . ?
C47 C46 H46 120.0 . . ?
C46 C47 H47 119.8 . . ?
C46 C47 C48 120.3(3) . . ?
C48 C47 H47 119.8 . . ?
C43 C48 H48 120.0 . . ?
C47 C48 C43 120.0(3) . . ?
C47 C48 H48 120.0 . . ?
C50 C49 P2 122.3(2) . . ?
C50 C49 C54 119.0(3) . . ?
C54 C49 P2 118.7(2) . . ?
C49 C50 H50 120.0 . . ?
C49 C50 C51 120.1(3) . . ?
C51 C50 H50 120.0 . . ?
C50 C51 H51 119.9 . . ?
C52 C51 C50 120.3(3) . . ?
C52 C51 H51 119.9 . . ?
C51 C52 H52 120.1 . . ?
C53 C52 C51 119.7(3) . . ?
C53 C52 H52 120.1 . . ?
C52 C53 H53 119.8 . . ?
C52 C53 C54 120.3(3) . . ?
C54 C53 H53 119.8 . . ?
C49 C54 H54 119.8 . . ?
C53 C54 C49 120.5(3) . . ?
C53 C54 H54 119.8 . . ?
C56 C55 P2 123.7(2) . . ?
C60 C55 P2 116.6(2) . . ?
C60 C55 C56 119.6(2) . . ?
C55 C56 H56 120.1 . . ?
C57 C56 C55 119.9(3) . . ?
C57 C56 H56 120.1 . . ?
C56 C57 H57 119.8 . . ?
C56 C57 C58 120.5(3) . . ?
C58 C57 H57 119.8 . . ?
C57 C58 H58 120.1 . . ?
C59 C58 C57 119.8(3) . . ?
C59 C58 H58 120.1 . . ?
C58 C59 H59 119.7 . . ?
C58 C59 C60 120.5(3) . . ?
C60 C59 H59 119.7 . . ?
C55 C60 H60 120.1 . . ?
C59 C60 C55 119.8(3) . . ?
C59 C60 H60 120.1 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 O1 C1 C2 -24.7(4) . . . . ?
Eu1 O1 C1 C4 153.3(2) . . . . ?
Eu1 O2 C3 C2 5.8(4) . . . . ?
Eu1 O2 C3 C5 -174.75(16) . . . . ?
Eu1 O4 C9 C10 -15.0(4) . . . . ?
Eu1 O4 C9 C12 167.50(18) . . . . ?
Eu1 O5 C11 C10 6.6(4) . . . . ?
Eu1 O5 C11 C13 -175.51(18) . . . . ?
Eu1 O7 C17 C18 -15.9(4) . . . . ?
Eu1 O7 C17 C20 167.44(17) . . . . ?
Eu1 O8 C19 C18 3.6(4) . . . . ?
Eu1 O8 C19 C21 -178.48(18) . . . . ?
P1 C25 C26 C27 -177.9(3) . . . . ?
P1 C25 C30 C29 178.5(2) . . . . ?
P1 C31 C32 C33 -176.0(2) . . . . ?
P1 C31 C36 C35 176.1(2) . . . . ?
P1 C37 C38 C39 -179.7(2) . . . . ?
P1 C37 C42 C41 179.2(3) . . . . ?
P2 C43 C44 C45 -178.2(2) . . . . ?
P2 C43 C48 C47 178.8(2) . . . . ?
P2 C49 C50 C51 179.7(3) . . . . ?
P2 C49 C54 C53 -179.0(3) . . . . ?
P2 C55 C56 C57 -177.7(2) . . . . ?
P2 C55 C60 C59 178.0(3) . . . . ?
O1 C1 C2 C3 1.2(5) . . . . ?
O1 C1 C4 F1 152.9(3) . . . . ?
O1 C1 C4 F2 29.6(4) . . . . ?
O1 C1 C4 F3 -87.7(3) . . . . ?
O2 C3 C5 O3 -171.1(2) . . . . ?
O2 C3 C5 C8 7.8(4) . . . . ?
O3 C5 C8 C7 0.3(3) . . . . ?
O3 C6 C7 C8 -0.1(4) . . . . ?
O4 C9 C10 C11 -5.5(5) . . . . ?
O4 C9 C12 F4 64.8(3) . . . . ?
O4 C9 C12 F5 -53.5(3) . . . . ?
O4 C9 C12 F6 -174.2(2) . . . . ?
O5 C11 C13 O6 -2.9(4) . . . . ?
O5 C11 C13 C16 179.7(3) . . . . ?
O6 C13 C16 C15 1.0(4) . . . . ?
O6 C14 C15 C16 -1.1(5) . . . . ?
O7 C17 C18 C19 -2.1(5) . . . . ?
O7 C17 C20 F7 -46.7(3) . . . . ?
O7 C17 C20 F8 -168.5(2) . . . . ?
O7 C17 C20 F9 71.3(3) . . . . ?
O8 C19 C21 O9 177.5(2) . . . . ?
O8 C19 C21 C24 -4.5(5) . . . . ?
O9 C21 C24 C23 0.1(3) . . . . ?
O9 C22 C23 C24 -0.4(4) . . . . ?
O10 P1 C25 C26 -126.3(3) . . . . ?
O10 P1 C25 C30 55.8(3) . . . . ?
O10 P1 C31 C32 -166.0(2) . . . . ?
O10 P1 C31 C36 16.0(3) . . . . ?
O10 P1 C37 C38 46.8(3) . . . . ?
O10 P1 C37 C42 -130.9(2) . . . . ?
O11 P2 C43 C44 -172.6(2) . . . . ?
O11 P2 C43 C48 6.9(2) . . . . ?
O11 P2 C49 C50 -139.1(3) . . . . ?
O11 P2 C49 C54 41.1(3) . . . . ?
O11 P2 C55 C56 -165.4(2) . . . . ?
O11 P2 C55 C60 16.3(3) . . . . ?
C1 C2 C3 O2 8.5(4) . . . . ?
C1 C2 C3 C5 -171.0(3) . . . . ?
C2 C1 C4 F1 -28.8(4) . . . . ?
C2 C1 C4 F2 -152.1(3) . . . . ?
C2 C1 C4 F3 90.6(3) . . . . ?
C2 C3 C5 O3 8.4(4) . . . . ?
C2 C3 C5 C8 -172.7(3) . . . . ?
C3 C5 C8 C7 -178.6(3) . . . . ?
C4 C1 C2 C3 -176.8(3) . . . . ?
C5 O3 C6 C7 0.3(3) . . . . ?
C6 O3 C5 C3 178.8(2) . . . . ?
C6 O3 C5 C8 -0.4(3) . . . . ?
C6 C7 C8 C5 -0.1(4) . . . . ?
C9 C10 C11 O5 9.5(4) . . . . ?
C9 C10 C11 C13 -168.4(3) . . . . ?
C10 C9 C12 F4 -113.0(3) . . . . ?
C10 C9 C12 F5 128.7(3) . . . . ?
C10 C9 C12 F6 8.1(4) . . . . ?
C10 C11 C13 O6 175.2(3) . . . . ?
C10 C11 C13 C16 -2.2(5) . . . . ?
C11 C13 C16 C15 178.6(3) . . . . ?
C12 C9 C10 C11 171.9(3) . . . . ?
C13 O6 C14 C15 1.7(5) . . . . ?
C14 O6 C13 C11 -179.4(3) . . . . ?
C14 O6 C13 C16 -1.6(4) . . . . ?
C14 C15 C16 C13 0.1(5) . . . . ?
C17 C18 C19 O8 8.1(4) . . . . ?
C17 C18 C19 C21 -169.8(3) . . . . ?
C18 C17 C20 F7 136.2(3) . . . . ?
C18 C17 C20 F8 14.4(4) . . . . ?
C18 C17 C20 F9 -105.8(3) . . . . ?
C18 C19 C21 O9 -4.5(4) . . . . ?
C18 C19 C21 C24 173.5(3) . . . . ?
C19 C21 C24 C23 -178.0(3) . . . . ?
C20 C17 C18 C19 174.5(3) . . . . ?
C21 O9 C22 C23 0.5(4) . . . . ?
C22 O9 C21 C19 178.0(3) . . . . ?
C22 O9 C21 C24 -0.3(3) . . . . ?
C22 C23 C24 C21 0.2(4) . . . . ?
C25 P1 O10 Eu1 39.9(4) . . . . ?
C25 P1 C31 C32 -43.8(3) . . . . ?
C25 P1 C31 C36 138.2(2) . . . . ?
C25 P1 C37 C38 -79.2(2) . . . . ?
C25 P1 C37 C42 103.2(3) . . . . ?
C25 C26 C27 C28 -0.1(6) . . . . ?
C26 C25 C30 C29 0.4(4) . . . . ?
C26 C27 C28 C29 -0.2(6) . . . . ?
C27 C28 C29 C30 0.7(5) . . . . ?
C28 C29 C30 C25 -0.8(5) . . . . ?
C30 C25 C26 C27 0.0(5) . . . . ?
C31 P1 O10 Eu1 156.4(3) . . . . ?
C31 P1 C25 C26 113.3(3) . . . . ?
C31 P1 C25 C30 -64.7(2) . . . . ?
C31 P1 C37 C38 169.1(2) . . . . ?
C31 P1 C37 C42 -8.5(3) . . . . ?
C31 C32 C33 C34 -0.4(5) . . . . ?
C32 C31 C36 C35 -2.0(4) . . . . ?
C32 C33 C34 C35 -1.3(5) . . . . ?
C33 C34 C35 C36 1.3(5) . . . . ?
C34 C35 C36 C31 0.3(5) . . . . ?
C36 C31 C32 C33 2.0(4) . . . . ?
C37 P1 O10 Eu1 -83.0(3) . . . . ?
C37 P1 C25 C26 -0.9(3) . . . . ?
C37 P1 C25 C30 -178.9(2) . . . . ?
C37 P1 C31 C32 70.6(3) . . . . ?
C37 P1 C31 C36 -107.4(2) . . . . ?
C37 C38 C39 C40 1.0(5) . . . . ?
C38 C37 C42 C41 1.6(5) . . . . ?
C38 C39 C40 C41 0.4(5) . . . . ?
C39 C40 C41 C42 -0.8(5) . . . . ?
C40 C41 C42 C37 -0.2(5) . . . . ?
C42 C37 C38 C39 -2.0(4) . . . . ?
C43 P2 C49 C50 100.5(3) . . . . ?
C43 P2 C49 C54 -79.3(3) . . . . ?
C43 P2 C55 C56 -44.0(3) . . . . ?
C43 P2 C55 C60 137.7(2) . . . . ?
C43 C44 C45 C46 -1.2(4) . . . . ?
C44 C43 C48 C47 -1.7(4) . . . . ?
C44 C45 C46 C47 -0.5(5) . . . . ?
C45 C46 C47 C48 1.0(5) . . . . ?
C46 C47 C48 C43 0.0(4) . . . . ?
C48 C43 C44 C45 2.3(4) . . . . ?
C49 P2 C43 C44 -51.0(3) . . . . ?
C49 P2 C43 C48 128.5(2) . . . . ?
C49 P2 C55 C56 71.5(3) . . . . ?
C49 P2 C55 C60 -106.9(2) . . . . ?
C49 C50 C51 C52 -1.6(7) . . . . ?
C50 C49 C54 C53 1.2(5) . . . . ?
C50 C51 C52 C53 3.1(7) . . . . ?
C51 C52 C53 C54 -2.5(6) . . . . ?
C52 C53 C54 C49 0.3(5) . . . . ?
C54 C49 C50 C51 -0.5(6) . . . . ?
C55 P2 C43 C44 65.3(3) . . . . ?
C55 P2 C43 C48 -115.2(2) . . . . ?
C55 P2 C49 C50 -16.2(3) . . . . ?
C55 P2 C49 C54 164.0(2) . . . . ?
C55 C56 C57 C58 -0.1(4) . . . . ?
C56 C55 C60 C59 -0.5(5) . . . . ?
C56 C57 C58 C59 -0.5(5) . . . . ?
C57 C58 C59 C60 0.6(5) . . . . ?
C58 C59 C60 C55 -0.2(5) . . . . ?
C60 C55 C56 C57 0.6(4) . . . . ?

_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_1_a
_database_code_depnum_ccdc_archive 'CCDC 2357263'
loop_
_audit_author_name
_audit_author_address
'Victoria Gontcharenko'
;MSU
Russia
;
_audit_update_record             
;
2024-10-21 deposited with the CCDC.	2025-04-29 downloaded from the CCDC.
;
_audit_creation_date             2024-05-07
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H42 F9 Gd O11 P2'
_chemical_formula_sum            'C60 H42 F9 Gd O11 P2'
_chemical_formula_weight         1329.12
_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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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                   11.0181(6)
_cell_length_b                   11.9586(6)
_cell_length_c                   22.8961(12)
_cell_angle_alpha                80.485(2)
_cell_angle_beta                 76.757(2)
_cell_angle_gamma                70.868(2)
_cell_volume                     2761.0(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9904
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      32.19
_cell_measurement_theta_min      2.21
_shelx_estimated_absorpt_T_max   0.793
_shelx_estimated_absorpt_T_min   0.774
_exptl_absorpt_coefficient_mu    1.351
_exptl_absorpt_correction_T_max  0.7466
_exptl_absorpt_correction_T_min  0.6340
_exptl_absorpt_correction_type   'multi scan'
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0717 before and 0.0553 after correction.
The Ratio of minimum to maximum transmission is 0.8492.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.599
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1330
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_av_unetI/netI     0.0645
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.918
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            57535
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.918
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.385
_diffrn_reflns_theta_min         1.992
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15858
_reflns_number_total             19701
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.809
_refine_diff_density_min         -1.131
_refine_diff_density_rms         0.135
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     748
_refine_ls_number_reflns         19701
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0665
_refine_ls_R_factor_gt           0.0435
_refine_ls_restrained_S_all      1.059
_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)+(0.0097P)²+4.3472P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0712
_refine_ls_wR_factor_ref         0.0825
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(F2) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
3. Rigid body (RIGU) restrains
 C23, C24
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.004
4.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C6(H6), C7(H7), C8(H8), C10(H10), C14(H14), C15(H15), C16(H16),
 C18(H18), C22(H22), C23(H23), C24(H24), C26(H26), C27(H27), C28(H28), C29(H29),
  C30(H30), C32(H32), C33(H33), C34(H34), C35(H35), C36(H36), C38(H38),
 C39(H39), C40(H40), C41(H41), C42(H42), C44(H44), C45(H45), C46(H46), C47(H47),
  C48(H48), C50(H50), C51(H51), C52(H52), C53(H53), C54(H54), C56(H56),
 C57(H57), C58(H58), C59(H59), C60(H60)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Gd01 Gd 0.55885(2) 0.68802(2) 0.25383(2) 0.01703(3) Uani 1 1 d . . . . .
P1 P 0.86606(6) 0.72344(6) 0.14292(3) 0.01901(13) Uani 1 1 d . . . . .
P2 P 0.37044(7) 0.77715(6) 0.40821(3) 0.02140(13) Uani 1 1 d . . . . .
F1 F 0.22694(19) 0.47606(18) 0.31963(8) 0.0451(5) Uani 1 1 d . . . . .
F2 F 0.2255(3) 0.4227(3) 0.23547(10) 0.0861(10) Uani 1 1 d . U . . .
F3 F 0.3914(3) 0.3451(2) 0.27650(13) 0.0868(10) Uani 1 1 d . . . . .
F4 F 0.9288(2) 0.54862(17) 0.35680(10) 0.0510(6) Uani 1 1 d . . . . .
F5 F 0.8394(2) 0.4203(2) 0.40768(9) 0.0516(5) Uani 1 1 d . . . . .
F6 F 1.01056(18) 0.36544(17) 0.33990(9) 0.0452(5) Uani 1 1 d . . . . .
F7 F 0.3806(2) 1.18485(16) 0.17244(10) 0.0554(6) Uani 1 1 d . . . . .
F8 F 0.23369(19) 1.09859(19) 0.21054(9) 0.0528(6) Uani 1 1 d . . . . .
F9 F 0.3655(2) 1.04656(18) 0.12875(9) 0.0481(5) Uani 1 1 d . . . . .
O1 O 0.39329(18) 0.59541(17) 0.26878(8) 0.0251(4) Uani 1 1 d . . . . .
O2 O 0.50823(18) 0.69054(16) 0.15545(8) 0.0221(4) Uani 1 1 d . . . . .
O3 O 0.3711(2) 0.6082(2) 0.04982(9) 0.0346(5) Uani 1 1 d . . . . .
O4 O 0.71514(18) 0.57228(16) 0.31281(8) 0.0245(4) Uani 1 1 d . . . . .
O5 O 0.65483(18) 0.49079(16) 0.21996(9) 0.0254(4) Uani 1 1 d . . . . .
O6 O 0.8739(2) 0.20019(18) 0.20292(10) 0.0362(5) Uani 1 1 d . . . . .
O7 O 0.43476(18) 0.88276(16) 0.22287(8) 0.0244(4) Uani 1 1 d . . . . .
O8 O 0.62362(18) 0.82991(16) 0.29515(8) 0.0247(4) Uani 1 1 d . . . . .
O9 O 0.7414(3) 0.9220(2) 0.36096(12) 0.0584(7) Uani 1 1 d . . . . .
O10 O 0.74421(17) 0.71528(17) 0.18620(8) 0.0238(4) Uani 1 1 d . . . . .
O11 O 0.42466(19) 0.72356(17) 0.34945(8) 0.0275(4) Uani 1 1 d . . . . .
C1 C 0.3633(3) 0.5422(2) 0.23350(12) 0.0224(5) Uani 1 1 d . . . . .
C2 C 0.3835(2) 0.5552(2) 0.17153(12) 0.0218(5) Uani 1 1 d . . . . .
H2 H 0.352040 0.509554 0.151693 0.026 Uiso 1 1 calc R U . . .
C3 C 0.4498(2) 0.6345(2) 0.13618(11) 0.0201(5) Uani 1 1 d . . . . .
C4 C 0.2993(4) 0.4474(3) 0.26615(14) 0.0404(8) Uani 1 1 d . . . . .
C5 C 0.4499(3) 0.6540(2) 0.07106(12) 0.0243(5) Uani 1 1 d . . . . .
C6 C 0.3880(3) 0.6390(3) -0.01073(14) 0.0397(8) Uani 1 1 d . . . . .
H6 H 0.344933 0.618842 -0.037095 0.048 Uiso 1 1 calc R U . . .
C7 C 0.4733(3) 0.7012(3) -0.02821(14) 0.0392(8) Uani 1 1 d . . . . .
H7 H 0.501123 0.732464 -0.068129 0.047 Uiso 1 1 calc R U . . .
C8 C 0.5142(3) 0.7115(3) 0.02472(13) 0.0325(6) Uani 1 1 d . . . . .
H8 H 0.574808 0.750959 0.027115 0.039 Uiso 1 1 calc R U . . .
C9 C 0.8083(3) 0.4762(2) 0.30708(12) 0.0224(5) Uani 1 1 d . . . . .
C10 C 0.8340(3) 0.3914(2) 0.26869(13) 0.0282(6) Uani 1 1 d . . . . .
H10 H 0.910190 0.324655 0.268873 0.034 Uiso 1 1 calc R U . . .
C11 C 0.7493(3) 0.4010(2) 0.22865(12) 0.0236(5) Uani 1 1 d . . . . .
C12 C 0.8985(3) 0.4522(3) 0.35244(13) 0.0285(6) Uani 1 1 d . . . . .
C13 C 0.7688(3) 0.2986(2) 0.19617(13) 0.0261(6) Uani 1 1 d . . . . .
C14 C 0.8661(3) 0.1184(3) 0.17023(16) 0.0404(8) Uani 1 1 d . . . . .
H14 H 0.926614 0.040965 0.166852 0.048 Uiso 1 1 calc R U . . .
C15 C 0.7617(3) 0.1615(3) 0.14345(15) 0.0375(7) Uani 1 1 d . . . . .
H15 H 0.735477 0.121530 0.118244 0.045 Uiso 1 1 calc R U . . .
C16 C 0.6978(3) 0.2790(3) 0.16023(13) 0.0297(6) Uani 1 1 d . . . . .
H16 H 0.620421 0.332961 0.148479 0.036 Uiso 1 1 calc R U . . .
C17 C 0.4505(3) 0.9843(2) 0.21905(12) 0.0226(5) Uani 1 1 d . . . . .
C18 C 0.5322(3) 1.0186(2) 0.24434(12) 0.0255(6) Uani 1 1 d . . . . .
H18 H 0.537311 1.097503 0.234674 0.031 Uiso 1 1 calc R U . . .
C19 C 0.6099(3) 0.9391(2) 0.28480(12) 0.0228(5) Uani 1 1 d . . . . .
C20 C 0.3581(3) 1.0795(3) 0.18281(14) 0.0311(6) Uani 1 1 d . . . . .
C21 C 0.6736(3) 0.9903(3) 0.31844(13) 0.0292(6) Uani 1 1 d . . . . .
C22 C 0.7873(5) 0.9994(4) 0.38352(19) 0.0637(12) Uani 1 1 d . . . . .
H22 H 0.839643 0.977623 0.413717 0.076 Uiso 1 1 calc R U . . .
C23 C 0.7462(4) 1.1077(4) 0.35607(19) 0.0592(11) Uani 1 1 d . . . . .
H23 H 0.763084 1.176572 0.363481 0.071 Uiso 1 1 calc R U . . .
C24 C 0.6737(3) 1.1030(2) 0.31433(13) 0.0298(6) Uani 1 1 d . . . . .
H24 H 0.632556 1.167401 0.288108 0.036 Uiso 1 1 calc R U . . .
C25 C 0.9708(2) 0.7685(2) 0.17797(12) 0.0203(5) Uani 1 1 d . . . . .
C26 C 0.9465(3) 0.7597(3) 0.24065(13) 0.0341(7) Uani 1 1 d . . . . .
H26 H 0.875091 0.733565 0.262981 0.041 Uiso 1 1 calc R U . . .
C27 C 1.0263(3) 0.7889(4) 0.27060(15) 0.0444(9) Uani 1 1 d . . . . .
H27 H 1.009479 0.782273 0.313419 0.053 Uiso 1 1 calc R U . . .
C28 C 1.1302(3) 0.8277(3) 0.23850(15) 0.0355(7) Uani 1 1 d . . . . .
H28 H 1.184706 0.847129 0.259365 0.043 Uiso 1 1 calc R U . . .
C29 C 1.1548(3) 0.8381(2) 0.17651(14) 0.0289(6) Uani 1 1 d . . . . .
H29 H 1.225699 0.865530 0.154581 0.035 Uiso 1 1 calc R U . . .
C30 C 1.0757(3) 0.8085(2) 0.14594(13) 0.0248(5) Uani 1 1 d . . . . .
H30 H 1.092980 0.815464 0.103111 0.030 Uiso 1 1 calc R U . . .
C31 C 0.9585(3) 0.5834(2) 0.11351(12) 0.0233(5) Uani 1 1 d . . . . .
C32 C 1.0921(4) 0.5377(3) 0.1090(2) 0.0612(12) Uani 1 1 d . . . . .
H32 H 1.138575 0.581152 0.121398 0.073 Uiso 1 1 calc R U . . .
C33 C 1.1594(4) 0.4284(4) 0.0866(3) 0.0815(17) Uani 1 1 d . . . . .
H33 H 1.251733 0.398421 0.082782 0.098 Uiso 1 1 calc R U . . .
C34 C 1.0924(4) 0.3640(3) 0.07003(18) 0.0503(9) Uani 1 1 d . . . . .
H34 H 1.137682 0.287613 0.056500 0.060 Uiso 1 1 calc R U . . .
C35 C 0.9607(4) 0.4100(3) 0.07303(17) 0.0465(9) Uani 1 1 d . . . . .
H35 H 0.914819 0.366629 0.060153 0.056 Uiso 1 1 calc R U . . .
C36 C 0.8934(3) 0.5191(3) 0.09466(15) 0.0394(8) Uani 1 1 d . . . . .
H36 H 0.801532 0.550159 0.096575 0.047 Uiso 1 1 calc R U . . .
C37 C 0.8243(3) 0.8295(2) 0.07946(11) 0.0218(5) Uani 1 1 d . . . . .
C38 C 0.9171(3) 0.8457(3) 0.02832(13) 0.0285(6) Uani 1 1 d . . . . .
H38 H 1.005812 0.798115 0.025510 0.034 Uiso 1 1 calc R U . . .
C39 C 0.8790(3) 0.9317(3) -0.01844(13) 0.0351(7) Uani 1 1 d . . . . .
H39 H 0.942265 0.943926 -0.052755 0.042 Uiso 1 1 calc R U . . .
C40 C 0.7497(3) 0.9994(3) -0.01516(14) 0.0365(7) Uani 1 1 d . . . . .
H40 H 0.724263 1.058324 -0.047059 0.044 Uiso 1 1 calc R U . . .
C41 C 0.6572(3) 0.9815(3) 0.03448(14) 0.0353(7) Uani 1 1 d . . . . .
H41 H 0.568023 1.027127 0.036185 0.042 Uiso 1 1 calc R U . . .
C42 C 0.6936(3) 0.8972(2) 0.08193(13) 0.0265(6) Uani 1 1 d . . . . .
H42 H 0.629597 0.885655 0.116039 0.032 Uiso 1 1 calc R U . . .
C43 C 0.4668(3) 0.7029(2) 0.46480(12) 0.0249(5) Uani 1 1 d . . . . .
C44 C 0.4117(3) 0.6672(3) 0.52269(15) 0.0385(7) Uani 1 1 d . . . . .
H44 H 0.319564 0.682727 0.533644 0.046 Uiso 1 1 calc R U . . .
C45 C 0.4902(4) 0.6089(3) 0.56472(17) 0.0484(9) Uani 1 1 d . . . . .
H45 H 0.451961 0.584483 0.604300 0.058 Uiso 1 1 calc R U . . .
C46 C 0.6227(4) 0.5866(3) 0.54912(17) 0.0449(9) Uani 1 1 d . . . . .
H46 H 0.676184 0.548153 0.578182 0.054 Uiso 1 1 calc R U . . .
C47 C 0.6791(3) 0.6197(3) 0.49151(17) 0.0441(8) Uani 1 1 d . . . . .
H47 H 0.771422 0.602485 0.480866 0.053 Uiso 1 1 calc R U . . .
C48 C 0.6023(3) 0.6779(3) 0.44894(15) 0.0358(7) Uani 1 1 d . . . . .
H48 H 0.641587 0.700572 0.409244 0.043 Uiso 1 1 calc R U . . .
C49 C 0.2067(3) 0.7702(2) 0.43719(12) 0.0235(5) Uani 1 1 d . . . . .
C50 C 0.1257(3) 0.8367(3) 0.48387(13) 0.0299(6) Uani 1 1 d . . . . .
H50 H 0.154937 0.890665 0.499055 0.036 Uiso 1 1 calc R U . . .
C51 C 0.0032(3) 0.8246(3) 0.50811(14) 0.0353(7) Uani 1 1 d . . . . .
H51 H -0.051629 0.869954 0.539898 0.042 Uiso 1 1 calc R U . . .
C52 C -0.0391(3) 0.7465(3) 0.48594(16) 0.0403(8) Uani 1 1 d . . . . .
H52 H -0.122404 0.736691 0.503201 0.048 Uiso 1 1 calc R U . . .
C53 C 0.0389(3) 0.6823(3) 0.43876(15) 0.0382(7) Uani 1 1 d . . . . .
H53 H 0.008071 0.629939 0.423217 0.046 Uiso 1 1 calc R U . . .
C54 C 0.1620(3) 0.6941(3) 0.41400(13) 0.0282(6) Uani 1 1 d . . . . .
H54 H 0.215274 0.650279 0.381408 0.034 Uiso 1 1 calc R U . . .
C55 C 0.3541(3) 0.9329(2) 0.40184(12) 0.0249(5) Uani 1 1 d . . . . .
C56 C 0.2808(3) 1.0081(3) 0.36094(13) 0.0302(6) Uani 1 1 d . . . . .
H56 H 0.243337 0.975748 0.336873 0.036 Uiso 1 1 calc R U . . .
C57 C 0.2616(3) 1.1297(3) 0.35481(14) 0.0361(7) Uani 1 1 d . . . . .
H57 H 0.212668 1.180177 0.326181 0.043 Uiso 1 1 calc R U . . .
C58 C 0.3137(3) 1.1768(3) 0.39028(14) 0.0389(8) Uani 1 1 d . . . . .
H58 H 0.299473 1.260227 0.386560 0.047 Uiso 1 1 calc R U . . .
C59 C 0.3862(4) 1.1042(3) 0.43114(17) 0.0466(9) Uani 1 1 d . . . . .
H59 H 0.422141 1.137314 0.455496 0.056 Uiso 1 1 calc R U . . .
C60 C 0.4068(3) 0.9819(3) 0.43682(15) 0.0387(8) Uani 1 1 d . . . . .
H60 H 0.457498 0.931752 0.464921 0.046 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Gd01 O1 2.3631(18) . ?
Gd01 O2 2.4347(18) . ?
Gd01 O4 2.3643(18) . ?
Gd01 O5 2.4241(18) . ?
Gd01 O7 2.3678(18) . ?
Gd01 O8 2.4327(18) . ?
Gd01 O10 2.3442(18) . ?
Gd01 O11 2.3607(18) . ?
P1 O10 1.4961(19) . ?
P1 C25 1.800(3) . ?
P1 C31 1.799(3) . ?
P1 C37 1.802(3) . ?
P2 O11 1.4978(19) . ?
P2 C43 1.796(3) . ?
P2 C49 1.798(3) . ?
P2 C55 1.796(3) . ?
F1 C4 1.328(4) . ?
F2 C4 1.315(4) . ?
F3 C4 1.335(4) . ?
F4 C12 1.326(3) . ?
F5 C12 1.340(3) . ?
F6 C12 1.334(3) . ?
F7 C20 1.336(3) . ?
F8 C20 1.333(3) . ?
F9 C20 1.337(3) . ?
O1 C1 1.263(3) . ?
O2 C3 1.252(3) . ?
O3 C5 1.371(3) . ?
O3 C6 1.360(4) . ?
O4 C9 1.267(3) . ?
O5 C11 1.252(3) . ?
O6 C13 1.371(3) . ?
O6 C14 1.361(4) . ?
O7 C17 1.269(3) . ?
O8 C19 1.253(3) . ?
O9 C21 1.358(4) . ?
O9 C22 1.401(5) . ?
C1 C2 1.376(4) . ?
C1 C4 1.531(4) . ?
C2 H2 0.9500 . ?
C2 C3 1.421(4) . ?
C3 C5 1.470(4) . ?
C5 C8 1.355(4) . ?
C6 H6 0.9500 . ?
C6 C7 1.336(5) . ?
C7 H7 0.9500 . ?
C7 C8 1.423(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.370(4) . ?
C9 C12 1.528(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.419(4) . ?
C11 C13 1.467(4) . ?
C13 C16 1.351(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.340(5) . ?
C15 H15 0.9500 . ?
C15 C16 1.422(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.368(4) . ?
C17 C20 1.529(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.426(4) . ?
C19 C21 1.465(4) . ?
C21 C24 1.336(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.325(6) . ?
C23 H23 0.9500 . ?
C23 C24 1.397(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.391(4) . ?
C25 C30 1.400(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.386(4) . ?
C27 H27 0.9500 . ?
C27 C28 1.385(5) . ?
C28 H28 0.9500 . ?
C28 C29 1.375(4) . ?
C29 H29 0.9500 . ?
C29 C30 1.393(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.377(4) . ?
C31 C36 1.380(4) . ?
C32 H32 0.9500 . ?
C32 C33 1.390(5) . ?
C33 H33 0.9500 . ?
C33 C34 1.371(5) . ?
C34 H34 0.9500 . ?
C34 C35 1.363(5) . ?
C35 H35 0.9500 . ?
C35 C36 1.382(4) . ?
C36 H36 0.9500 . ?
C37 C38 1.400(4) . ?
C37 C42 1.395(4) . ?
C38 H38 0.9500 . ?
C38 C39 1.393(4) . ?
C39 H39 0.9500 . ?
C39 C40 1.380(5) . ?
C40 H40 0.9500 . ?
C40 C41 1.381(4) . ?
C41 H41 0.9500 . ?
C41 C42 1.389(4) . ?
C42 H42 0.9500 . ?
C43 C44 1.386(4) . ?
C43 C48 1.394(4) . ?
C44 H44 0.9500 . ?
C44 C45 1.388(5) . ?
C45 H45 0.9500 . ?
C45 C46 1.366(5) . ?
C46 H46 0.9500 . ?
C46 C47 1.377(5) . ?
C47 H47 0.9500 . ?
C47 C48 1.385(5) . ?
C48 H48 0.9500 . ?
C49 C50 1.397(4) . ?
C49 C54 1.389(4) . ?
C50 H50 0.9500 . ?
C50 C51 1.382(4) . ?
C51 H51 0.9500 . ?
C51 C52 1.377(4) . ?
C52 H52 0.9500 . ?
C52 C53 1.382(4) . ?
C53 H53 0.9500 . ?
C53 C54 1.388(4) . ?
C54 H54 0.9500 . ?
C55 C56 1.389(4) . ?
C55 C60 1.383(4) . ?
C56 H56 0.9500 . ?
C56 C57 1.388(4) . ?
C57 H57 0.9500 . ?
C57 C58 1.372(5) . ?
C58 H58 0.9500 . ?
C58 C59 1.374(5) . ?
C59 H59 0.9500 . ?
C59 C60 1.393(4) . ?
C60 H60 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Gd01 O2 72.72(6) . . ?
O1 Gd01 O4 107.70(7) . . ?
O1 Gd01 O5 71.06(6) . . ?
O1 Gd01 O7 97.95(7) . . ?
O1 Gd01 O8 142.28(6) . . ?
O4 Gd01 O2 138.53(6) . . ?
O4 Gd01 O5 70.64(6) . . ?
O4 Gd01 O7 145.63(6) . . ?
O4 Gd01 O8 74.38(6) . . ?
O5 Gd01 O2 70.66(6) . . ?
O5 Gd01 O8 138.67(6) . . ?
O7 Gd01 O2 70.60(6) . . ?
O7 Gd01 O5 141.25(6) . . ?
O7 Gd01 O8 71.34(6) . . ?
O8 Gd01 O2 131.15(6) . . ?
O10 Gd01 O1 143.34(6) . . ?
O10 Gd01 O2 76.48(6) . . ?
O10 Gd01 O4 82.95(6) . . ?
O10 Gd01 O5 80.38(7) . . ?
O10 Gd01 O7 90.04(6) . . ?
O10 Gd01 O8 74.08(6) . . ?
O10 Gd01 O11 145.97(7) . . ?
O11 Gd01 O1 70.62(6) . . ?
O11 Gd01 O2 132.07(7) . . ?
O11 Gd01 O4 82.45(7) . . ?
O11 Gd01 O5 122.66(7) . . ?
O11 Gd01 O7 84.99(7) . . ?
O11 Gd01 O8 72.44(6) . . ?
O10 P1 C25 111.58(11) . . ?
O10 P1 C31 111.63(12) . . ?
O10 P1 C37 109.86(12) . . ?
C25 P1 C37 108.79(12) . . ?
C31 P1 C25 107.87(12) . . ?
C31 P1 C37 106.95(12) . . ?
O11 P2 C43 112.42(12) . . ?
O11 P2 C49 110.88(12) . . ?
O11 P2 C55 113.34(12) . . ?
C43 P2 C49 107.58(13) . . ?
C43 P2 C55 108.09(13) . . ?
C55 P2 C49 104.04(13) . . ?
C1 O1 Gd01 130.88(17) . . ?
C3 O2 Gd01 133.13(16) . . ?
C6 O3 C5 106.3(2) . . ?
C9 O4 Gd01 134.67(17) . . ?
C11 O5 Gd01 137.19(17) . . ?
C14 O6 C13 106.1(2) . . ?
C17 O7 Gd01 133.42(17) . . ?
C19 O8 Gd01 135.46(17) . . ?
C21 O9 C22 105.1(3) . . ?
P1 O10 Gd01 175.99(12) . . ?
P2 O11 Gd01 158.01(12) . . ?
O1 C1 C2 129.5(2) . . ?
O1 C1 C4 113.4(2) . . ?
C2 C1 C4 117.1(2) . . ?
C1 C2 H2 118.9 . . ?
C1 C2 C3 122.2(2) . . ?
C3 C2 H2 118.9 . . ?
O2 C3 C2 125.9(2) . . ?
O2 C3 C5 116.5(2) . . ?
C2 C3 C5 117.6(2) . . ?
F1 C4 F3 106.3(3) . . ?
F1 C4 C1 112.7(3) . . ?
F2 C4 F1 107.6(3) . . ?
F2 C4 F3 105.8(3) . . ?
F2 C4 C1 114.1(3) . . ?
F3 C4 C1 109.8(3) . . ?
O3 C5 C3 117.9(2) . . ?
C8 C5 O3 109.7(2) . . ?
C8 C5 C3 132.4(3) . . ?
O3 C6 H6 124.5 . . ?
C7 C6 O3 111.0(3) . . ?
C7 C6 H6 124.5 . . ?
C6 C7 H7 126.8 . . ?
C6 C7 C8 106.5(3) . . ?
C8 C7 H7 126.8 . . ?
C5 C8 C7 106.5(3) . . ?
C5 C8 H8 126.8 . . ?
C7 C8 H8 126.8 . . ?
O4 C9 C10 129.2(3) . . ?
O4 C9 C12 113.3(2) . . ?
C10 C9 C12 117.4(2) . . ?
C9 C10 H10 119.3 . . ?
C9 C10 C11 121.4(2) . . ?
C11 C10 H10 119.3 . . ?
O5 C11 C10 124.4(2) . . ?
O5 C11 C13 116.6(2) . . ?
C10 C11 C13 119.0(2) . . ?
F4 C12 F5 106.4(2) . . ?
F4 C12 F6 107.2(2) . . ?
F4 C12 C9 111.5(2) . . ?
F5 C12 C9 110.7(2) . . ?
F6 C12 F5 106.3(2) . . ?
F6 C12 C9 114.2(2) . . ?
O6 C13 C11 118.2(2) . . ?
C16 C13 O6 110.1(2) . . ?
C16 C13 C11 131.7(3) . . ?
O6 C14 H14 124.5 . . ?
C15 C14 O6 111.0(3) . . ?
C15 C14 H14 124.5 . . ?
C14 C15 H15 126.8 . . ?
C14 C15 C16 106.4(3) . . ?
C16 C15 H15 126.8 . . ?
C13 C16 C15 106.4(3) . . ?
C13 C16 H16 126.8 . . ?
C15 C16 H16 126.8 . . ?
O7 C17 C18 129.3(3) . . ?
O7 C17 C20 112.5(2) . . ?
C18 C17 C20 118.1(2) . . ?
C17 C18 H18 119.1 . . ?
C17 C18 C19 121.8(2) . . ?
C19 C18 H18 119.1 . . ?
O8 C19 C18 124.7(2) . . ?
O8 C19 C21 117.9(3) . . ?
C18 C19 C21 117.3(2) . . ?
F7 C20 F9 106.2(2) . . ?
F7 C20 C17 114.3(3) . . ?
F8 C20 F7 106.9(2) . . ?
F8 C20 F9 106.0(3) . . ?
F8 C20 C17 111.3(2) . . ?
F9 C20 C17 111.6(2) . . ?
O9 C21 C19 120.8(3) . . ?
C24 C21 O9 110.9(3) . . ?
C24 C21 C19 128.2(3) . . ?
O9 C22 H22 125.4 . . ?
C23 C22 O9 109.2(3) . . ?
C23 C22 H22 125.4 . . ?
C22 C23 H23 126.0 . . ?
C22 C23 C24 108.1(3) . . ?
C24 C23 H23 126.0 . . ?
C21 C24 C23 106.7(3) . . ?
C21 C24 H24 126.7 . . ?
C23 C24 H24 126.7 . . ?
C26 C25 P1 117.2(2) . . ?
C26 C25 C30 119.0(2) . . ?
C30 C25 P1 123.9(2) . . ?
C25 C26 H26 119.9 . . ?
C27 C26 C25 120.2(3) . . ?
C27 C26 H26 119.9 . . ?
C26 C27 H27 119.8 . . ?
C28 C27 C26 120.4(3) . . ?
C28 C27 H27 119.8 . . ?
C27 C28 H28 119.9 . . ?
C29 C28 C27 120.2(3) . . ?
C29 C28 H28 119.9 . . ?
C28 C29 H29 120.1 . . ?
C28 C29 C30 119.9(3) . . ?
C30 C29 H29 120.1 . . ?
C25 C30 H30 119.8 . . ?
C29 C30 C25 120.4(3) . . ?
C29 C30 H30 119.8 . . ?
C32 C31 P1 122.5(2) . . ?
C32 C31 C36 118.6(3) . . ?
C36 C31 P1 118.9(2) . . ?
C31 C32 H32 119.7 . . ?
C31 C32 C33 120.5(3) . . ?
C33 C32 H32 119.7 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 C32 120.0(4) . . ?
C34 C33 H33 120.0 . . ?
C33 C34 H34 120.2 . . ?
C35 C34 C33 119.7(3) . . ?
C35 C34 H34 120.2 . . ?
C34 C35 H35 119.7 . . ?
C34 C35 C36 120.6(3) . . ?
C36 C35 H35 119.7 . . ?
C31 C36 C35 120.5(3) . . ?
C31 C36 H36 119.7 . . ?
C35 C36 H36 119.7 . . ?
C38 C37 P1 122.7(2) . . ?
C42 C37 P1 117.9(2) . . ?
C42 C37 C38 119.3(2) . . ?
C37 C38 H38 120.1 . . ?
C39 C38 C37 119.9(3) . . ?
C39 C38 H38 120.1 . . ?
C38 C39 H39 119.8 . . ?
C40 C39 C38 120.3(3) . . ?
C40 C39 H39 119.8 . . ?
C39 C40 H40 120.0 . . ?
C39 C40 C41 120.0(3) . . ?
C41 C40 H40 120.0 . . ?
C40 C41 H41 119.8 . . ?
C40 C41 C42 120.5(3) . . ?
C42 C41 H41 119.8 . . ?
C37 C42 H42 120.0 . . ?
C41 C42 C37 120.0(3) . . ?
C41 C42 H42 120.0 . . ?
C44 C43 P2 122.4(2) . . ?
C44 C43 C48 119.3(3) . . ?
C48 C43 P2 118.2(2) . . ?
C43 C44 H44 119.8 . . ?
C43 C44 C45 120.4(3) . . ?
C45 C44 H44 119.8 . . ?
C44 C45 H45 120.0 . . ?
C46 C45 C44 119.9(3) . . ?
C46 C45 H45 120.0 . . ?
C45 C46 H46 119.8 . . ?
C45 C46 C47 120.4(3) . . ?
C47 C46 H46 119.8 . . ?
C46 C47 H47 119.7 . . ?
C46 C47 C48 120.5(3) . . ?
C48 C47 H47 119.7 . . ?
C43 C48 H48 120.3 . . ?
C47 C48 C43 119.5(3) . . ?
C47 C48 H48 120.3 . . ?
C50 C49 P2 121.3(2) . . ?
C54 C49 P2 119.1(2) . . ?
C54 C49 C50 119.5(3) . . ?
C49 C50 H50 119.8 . . ?
C51 C50 C49 120.4(3) . . ?
C51 C50 H50 119.8 . . ?
C50 C51 H51 120.2 . . ?
C52 C51 C50 119.6(3) . . ?
C52 C51 H51 120.2 . . ?
C51 C52 H52 119.7 . . ?
C51 C52 C53 120.5(3) . . ?
C53 C52 H52 119.7 . . ?
C52 C53 H53 119.9 . . ?
C52 C53 C54 120.3(3) . . ?
C54 C53 H53 119.9 . . ?
C49 C54 H54 120.2 . . ?
C53 C54 C49 119.6(3) . . ?
C53 C54 H54 120.2 . . ?
C56 C55 P2 117.8(2) . . ?
C60 C55 P2 123.4(2) . . ?
C60 C55 C56 118.7(3) . . ?
C55 C56 H56 119.6 . . ?
C57 C56 C55 120.8(3) . . ?
C57 C56 H56 119.6 . . ?
C56 C57 H57 120.2 . . ?
C58 C57 C56 119.7(3) . . ?
C58 C57 H57 120.2 . . ?
C57 C58 H58 119.8 . . ?
C57 C58 C59 120.4(3) . . ?
C59 C58 H58 119.8 . . ?
C58 C59 H59 120.0 . . ?
C58 C59 C60 119.9(3) . . ?
C60 C59 H59 120.0 . . ?
C55 C60 C59 120.4(3) . . ?
C55 C60 H60 119.8 . . ?
C59 C60 H60 119.8 . . ?

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
Gd01 O1 C1 C2 -25.5(4) . . . . ?
Gd01 O1 C1 C4 152.4(2) . . . . ?
Gd01 O2 C3 C2 5.9(4) . . . . ?
Gd01 O2 C3 C5 -174.50(16) . . . . ?
Gd01 O4 C9 C10 -15.4(4) . . . . ?
Gd01 O4 C9 C12 168.01(17) . . . . ?
Gd01 O5 C11 C10 2.4(4) . . . . ?
Gd01 O5 C11 C13 -179.69(18) . . . . ?
Gd01 O7 C17 C18 -16.2(4) . . . . ?
Gd01 O7 C17 C20 166.82(17) . . . . ?
Gd01 O8 C19 C18 6.8(4) . . . . ?
Gd01 O8 C19 C21 -175.86(18) . . . . ?
P1 C25 C26 C27 177.7(3) . . . . ?
P1 C25 C30 C29 -177.9(2) . . . . ?
P1 C31 C32 C33 179.3(4) . . . . ?
P1 C31 C36 C35 -178.6(3) . . . . ?
P1 C37 C38 C39 -178.1(2) . . . . ?
P1 C37 C42 C41 178.9(2) . . . . ?
P2 C43 C44 C45 179.3(3) . . . . ?
P2 C43 C48 C47 -179.4(2) . . . . ?
P2 C49 C50 C51 -175.9(2) . . . . ?
P2 C49 C54 C53 175.8(2) . . . . ?
P2 C55 C56 C57 178.4(2) . . . . ?
P2 C55 C60 C59 -177.5(3) . . . . ?
O1 C1 C2 C3 2.1(5) . . . . ?
O1 C1 C4 F1 33.1(4) . . . . ?
O1 C1 C4 F2 156.1(3) . . . . ?
O1 C1 C4 F3 -85.2(3) . . . . ?
O2 C3 C5 O3 -170.6(2) . . . . ?
O2 C3 C5 C8 8.9(4) . . . . ?
O3 C5 C8 C7 0.1(3) . . . . ?
O3 C6 C7 C8 -0.1(4) . . . . ?
O4 C9 C10 C11 -2.0(5) . . . . ?
O4 C9 C12 F4 -45.5(3) . . . . ?
O4 C9 C12 F5 72.8(3) . . . . ?
O4 C9 C12 F6 -167.3(2) . . . . ?
O5 C11 C13 O6 177.8(2) . . . . ?
O5 C11 C13 C16 -4.7(5) . . . . ?
O6 C13 C16 C15 0.1(3) . . . . ?
O6 C14 C15 C16 -0.2(4) . . . . ?
O7 C17 C18 C19 -4.6(5) . . . . ?
O7 C17 C20 F7 -173.4(2) . . . . ?
O7 C17 C20 F8 65.3(3) . . . . ?
O7 C17 C20 F9 -52.9(3) . . . . ?
O8 C19 C21 O9 -2.3(4) . . . . ?
O8 C19 C21 C24 179.1(3) . . . . ?
O9 C21 C24 C23 0.4(4) . . . . ?
O9 C22 C23 C24 -0.7(5) . . . . ?
O10 P1 C25 C26 16.2(3) . . . . ?
O10 P1 C25 C30 -165.4(2) . . . . ?
O10 P1 C31 C32 -135.1(3) . . . . ?
O10 P1 C31 C36 44.9(3) . . . . ?
O10 P1 C37 C38 -172.2(2) . . . . ?
O10 P1 C37 C42 7.4(2) . . . . ?
O11 P2 C43 C44 -131.8(2) . . . . ?
O11 P2 C43 C48 46.4(3) . . . . ?
O11 P2 C49 C50 -165.8(2) . . . . ?
O11 P2 C49 C54 16.5(3) . . . . ?
O11 P2 C55 C56 55.7(3) . . . . ?
O11 P2 C55 C60 -126.6(3) . . . . ?
C1 C2 C3 O2 8.0(4) . . . . ?
C1 C2 C3 C5 -171.6(2) . . . . ?
C2 C1 C4 F1 -148.8(3) . . . . ?
C2 C1 C4 F2 -25.7(4) . . . . ?
C2 C1 C4 F3 92.9(3) . . . . ?
C2 C3 C5 O3 9.1(4) . . . . ?
C2 C3 C5 C8 -171.5(3) . . . . ?
C3 C5 C8 C7 -179.4(3) . . . . ?
C4 C1 C2 C3 -175.7(3) . . . . ?
C5 O3 C6 C7 0.1(4) . . . . ?
C6 O3 C5 C3 179.5(2) . . . . ?
C6 O3 C5 C8 -0.1(3) . . . . ?
C6 C7 C8 C5 0.0(4) . . . . ?
C9 C10 C11 O5 8.3(5) . . . . ?
C9 C10 C11 C13 -169.6(3) . . . . ?
C10 C9 C12 F4 137.5(3) . . . . ?
C10 C9 C12 F5 -104.2(3) . . . . ?
C10 C9 C12 F6 15.7(4) . . . . ?
C10 C11 C13 O6 -4.2(4) . . . . ?
C10 C11 C13 C16 173.3(3) . . . . ?
C11 C13 C16 C15 -177.6(3) . . . . ?
C12 C9 C10 C11 174.5(3) . . . . ?
C13 O6 C14 C15 0.2(4) . . . . ?
C14 O6 C13 C11 177.8(3) . . . . ?
C14 O6 C13 C16 -0.2(3) . . . . ?
C14 C15 C16 C13 0.1(4) . . . . ?
C17 C18 C19 O8 9.1(4) . . . . ?
C17 C18 C19 C21 -168.2(3) . . . . ?
C18 C17 C20 F7 9.2(4) . . . . ?
C18 C17 C20 F8 -112.0(3) . . . . ?
C18 C17 C20 F9 129.7(3) . . . . ?
C18 C19 C21 O9 175.2(3) . . . . ?
C18 C19 C21 C24 -3.4(4) . . . . ?
C19 C21 C24 C23 179.2(3) . . . . ?
C20 C17 C18 C19 172.2(2) . . . . ?
C21 O9 C22 C23 1.0(5) . . . . ?
C22 O9 C21 C19 -179.7(3) . . . . ?
C22 O9 C21 C24 -0.9(4) . . . . ?
C22 C23 C24 C21 0.2(5) . . . . ?
C25 P1 C31 C32 -12.2(3) . . . . ?
C25 P1 C31 C36 167.8(2) . . . . ?
C25 P1 C37 C38 65.4(3) . . . . ?
C25 P1 C37 C42 -115.0(2) . . . . ?
C25 C26 C27 C28 0.4(5) . . . . ?
C26 C25 C30 C29 0.5(4) . . . . ?
C26 C27 C28 C29 0.3(5) . . . . ?
C27 C28 C29 C30 -0.6(5) . . . . ?
C28 C29 C30 C25 0.2(4) . . . . ?
C30 C25 C26 C27 -0.7(5) . . . . ?
C31 P1 C25 C26 -106.7(2) . . . . ?
C31 P1 C25 C30 71.7(2) . . . . ?
C31 P1 C37 C38 -50.9(3) . . . . ?
C31 P1 C37 C42 128.8(2) . . . . ?
C31 C32 C33 C34 -1.5(8) . . . . ?
C32 C31 C36 C35 1.4(5) . . . . ?
C32 C33 C34 C35 3.0(8) . . . . ?
C33 C34 C35 C36 -2.3(7) . . . . ?
C34 C35 C36 C31 0.1(6) . . . . ?
C36 C31 C32 C33 -0.7(6) . . . . ?
C37 P1 C25 C26 137.6(2) . . . . ?
C37 P1 C25 C30 -44.0(3) . . . . ?
C37 P1 C31 C32 104.7(3) . . . . ?
C37 P1 C31 C36 -75.3(3) . . . . ?
C37 C38 C39 C40 -1.4(5) . . . . ?
C38 C37 C42 C41 -1.4(4) . . . . ?
C38 C39 C40 C41 -0.4(5) . . . . ?
C39 C40 C41 C42 1.3(5) . . . . ?
C40 C41 C42 C37 -0.4(5) . . . . ?
C42 C37 C38 C39 2.3(4) . . . . ?
C43 P2 O11 Gd01 -83.4(3) . . . . ?
C43 P2 C49 C50 70.9(3) . . . . ?
C43 P2 C49 C54 -106.8(2) . . . . ?
C43 P2 C55 C56 -179.0(2) . . . . ?
C43 P2 C55 C60 -1.2(3) . . . . ?
C43 C44 C45 C46 0.1(5) . . . . ?
C44 C43 C48 C47 -1.1(4) . . . . ?
C44 C45 C46 C47 -1.3(5) . . . . ?
C45 C46 C47 C48 1.2(5) . . . . ?
C46 C47 C48 C43 0.0(5) . . . . ?
C48 C43 C44 C45 1.0(5) . . . . ?
C49 P2 O11 Gd01 156.1(3) . . . . ?
C49 P2 C43 C44 -9.5(3) . . . . ?
C49 P2 C43 C48 168.8(2) . . . . ?
C49 P2 C55 C56 -64.8(2) . . . . ?
C49 P2 C55 C60 112.9(3) . . . . ?
C49 C50 C51 C52 -0.1(5) . . . . ?
C50 C49 C54 C53 -2.0(4) . . . . ?
C50 C51 C52 C53 -1.5(5) . . . . ?
C51 C52 C53 C54 1.4(5) . . . . ?
C52 C53 C54 C49 0.4(5) . . . . ?
C54 C49 C50 C51 1.8(4) . . . . ?
C55 P2 O11 Gd01 39.6(4) . . . . ?
C55 P2 C43 C44 102.3(3) . . . . ?
C55 P2 C43 C48 -79.4(2) . . . . ?
C55 P2 C49 C50 -43.6(3) . . . . ?
C55 P2 C49 C54 138.6(2) . . . . ?
C55 C56 C57 C58 -1.2(5) . . . . ?
C56 C55 C60 C59 0.2(5) . . . . ?
C56 C57 C58 C59 1.0(5) . . . . ?
C57 C58 C59 C60 -0.2(6) . . . . ?
C58 C59 C60 C55 -0.4(6) . . . . ?
C60 C55 C56 C57 0.6(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
