# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2019

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 1937946'
loop_
_audit_author_name
_audit_author_address
'Jing Zhang'
;Nanjing University
China
;
_audit_update_record             
;
2019-07-02 deposited with the CCDC.	2019-10-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C55 H38 Eu F9 N2 O7'
_chemical_formula_weight         1161.83

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   13.1610(13)
_cell_length_b                   15.4629(15)
_cell_length_c                   24.040(2)
_cell_angle_alpha                90
_cell_angle_beta                 98.0640(10)
_cell_angle_gamma                90
_cell_volume                     4843.8(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9855
_cell_measurement_theta_min      2.52
_cell_measurement_theta_max      27.64

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.593
_exptl_crystal_F_000             2328
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    1.386
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            32406
_diffrn_reflns_av_unetI/netI     0.0402
_diffrn_reflns_av_R_equivalents  0.0371
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         1.570
_diffrn_reflns_theta_max         27.657
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             11270
_reflns_number_gt                9960
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0208P)²+2.6120P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11270
_refine_ls_number_parameters     672
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0298
_refine_ls_R_factor_gt           0.0248
_refine_ls_wR_factor_ref         0.0602
_refine_ls_wR_factor_gt          0.0580
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C42 C 0.95443(16) 0.75717(14) 0.71112(8) 0.0213(4) Uani 1 1 d . . . . .
Eu1 Eu 0.65448(2) 0.78543(2) 0.79426(2) 0.01358(3) Uani 1 1 d . . . . .
C41 C 0.89532(15) 0.77186(12) 0.76057(8) 0.0158(4) Uani 1 1 d . . . . .
F8 F 0.92408(12) 0.81330(10) 0.66932(5) 0.0381(3) Uani 1 1 d . . . . .
F5 F 0.56272(13) 0.49815(9) 0.68629(6) 0.0419(4) Uani 1 1 d . . . . .
O5 O 0.80609(10) 0.81815(9) 0.85660(5) 0.0187(3) Uani 1 1 d . . . . .
C43 C 0.49475(17) 0.78965(12) 0.66464(8) 0.0207(4) Uani 1 1 d . . . . .
H43 H 0.4530 0.7600 0.6863 0.025 Uiso 1 1 calc R U . . .
F6 F 0.44940(11) 0.46881(8) 0.73947(5) 0.0343(3) Uani 1 1 d . . . . .
C13 C 0.41601(16) 0.77392(13) 0.82754(9) 0.0218(4) Uani 1 1 d . . . . .
N1 N 0.58687(13) 0.81721(10) 0.68937(6) 0.0180(3) Uani 1 1 d . . . . .
C3 C 0.65593(16) 0.95366(12) 1.03641(8) 0.0201(4) Uani 1 1 d . . . . .
F9 F 0.93615(11) 0.67838(9) 0.68890(5) 0.0333(3) Uani 1 1 d . . . . .
O2 O 0.47474(11) 0.77219(9) 0.79025(6) 0.0221(3) Uani 1 1 d . . . . .
O1 O 0.60240(11) 0.85106(9) 0.87535(5) 0.0206(3) Uani 1 1 d . . . . .
O6 O 0.79918(10) 0.76311(9) 0.74718(5) 0.0191(3) Uani 1 1 d . . . . .
F7 F 1.05546(10) 0.76500(11) 0.72332(5) 0.0391(4) Uani 1 1 d . . . . .
O3 O 0.66351(12) 0.67560(9) 0.86387(5) 0.0219(3) Uani 1 1 d . . . . .
C25 C 0.62228(16) 0.60275(13) 0.86887(8) 0.0205(4) Uani 1 1 d . . . . .
O7 O 0.66197(12) 0.94056(9) 0.77966(6) 0.0206(3) Uani 1 1 d . . . . .
H7 H 0.627(2) 0.9679(16) 0.7546(11) 0.033(7) Uiso 1 1 d . . . . .
O4 O 0.61293(11) 0.64878(8) 0.75009(6) 0.0209(3) Uani 1 1 d . . . . .
C38 C 1.06160(15) 0.79850(11) 0.92835(8) 0.0155(4) Uani 1 1 d . . . . .
H38 H 1.0926 0.7699 0.9011 0.019 Uiso 1 1 calc R U . . .
C46 C 0.61550(16) 0.87539(12) 0.60017(8) 0.0190(4) Uani 1 1 d . . . . .
H46 H 0.6590 0.9049 0.5794 0.023 Uiso 1 1 calc R U . . .
F1 F 0.24426(11) 0.73874(14) 0.84378(7) 0.0567(5) Uani 1 1 d . . . . .
F3 F 0.26379(12) 0.80003(13) 0.76632(7) 0.0615(5) Uani 1 1 d . . . . .
C51 C 0.40105(17) 0.89804(12) 0.39122(8) 0.0203(4) Uani 1 1 d . . . . .
H51 H 0.3542 0.8691 0.4101 0.024 Uiso 1 1 calc R U . . .
F2 F 0.30575(12) 0.66791(12) 0.78049(7) 0.0571(5) Uani 1 1 d . . . . .
C37 C 0.96420(15) 0.83007(12) 0.91461(7) 0.0158(4) Uani 1 1 d . . . . .
C31 C 1.11644(15) 0.80845(12) 0.98316(8) 0.0159(4) Uani 1 1 d . . . . .
C55 C 0.69641(18) 1.00360(13) 0.82208(9) 0.0254(5) Uani 1 1 d . . . . .
H55A H 0.6399 1.0207 0.8409 0.038 Uiso 1 1 calc R U . . .
H55B H 0.7227 1.0533 0.8048 0.038 Uiso 1 1 calc R U . . .
H55C H 0.7496 0.9790 0.8488 0.038 Uiso 1 1 calc R U . . .
C11 C 0.53201(16) 0.83921(12) 0.90454(8) 0.0191(4) Uani 1 1 d . . . . .
F4 F 0.43742(13) 0.58495(9) 0.68980(6) 0.0471(4) Uani 1 1 d . . . . .
C39 C 0.90166(15) 0.81279(12) 0.85893(8) 0.0152(4) Uani 1 1 d . . . . .
C33 C 1.26221(17) 0.77625(13) 1.05324(9) 0.0224(4) Uani 1 1 d . . . . .
H33 H 1.3253 0.7494 1.0634 0.027 Uiso 1 1 calc R U . . .
C40 C 0.95098(16) 0.79187(12) 0.81177(8) 0.0174(4) Uani 1 1 d . . . . .
H40 H 1.0223 0.7917 0.8156 0.021 Uiso 1 1 calc R U . . .
N2 N 0.43889(14) 0.96283(11) 0.30561(7) 0.0223(4) Uani 1 1 d . . . . .
C21 C 0.65064(17) 0.62262(15) 0.97151(9) 0.0268(5) Uani 1 1 d . . . . .
H21 H 0.6608 0.6809 0.9646 0.032 Uiso 1 1 calc R U . . .
C53 C 0.53307(17) 0.97968(14) 0.33162(9) 0.0250(4) Uani 1 1 d . . . . .
H53 H 0.5792 1.0066 0.3112 0.030 Uiso 1 1 calc R U . . .
C4 C 0.73907(18) 1.01023(13) 1.05363(9) 0.0260(5) Uani 1 1 d . . . . .
H4 H 0.7778 1.0315 1.0271 0.031 Uiso 1 1 calc R U . . .
C27 C 0.56798(16) 0.58457(12) 0.76815(8) 0.0190(4) Uani 1 1 d . . . . .
C50 C 0.49884(16) 0.91875(12) 0.41887(8) 0.0191(4) Uani 1 1 d . . . . .
C29 C 1.12412(17) 0.86283(13) 1.07915(8) 0.0237(4) Uani 1 1 d . . . . .
H29 H 1.0957 0.8948 1.1059 0.028 Uiso 1 1 calc R U . . .
C26 C 0.56982(17) 0.55638(13) 0.82294(8) 0.0225(4) Uani 1 1 d . . . . .
H26 H 0.5356 0.5056 0.8297 0.027 Uiso 1 1 calc R U . . .
C32 C 1.21336(16) 0.76967(13) 0.99921(8) 0.0201(4) Uani 1 1 d . . . . .
H32 H 1.2444 0.7393 0.9727 0.024 Uiso 1 1 calc R U . . .
C35 C 0.96989(17) 0.88882(14) 1.00838(8) 0.0251(4) Uani 1 1 d . . . . .
H35 H 0.9393 0.9205 1.0344 0.030 Uiso 1 1 calc R U . . .
C10 C 0.63072(16) 0.92564(13) 0.98023(8) 0.0202(4) Uani 1 1 d . . . . .
H10 H 0.6694 0.9456 0.9533 0.024 Uiso 1 1 calc R U . . .
C49 C 0.53344(17) 0.90180(12) 0.47866(8) 0.0209(4) Uani 1 1 d . . . . .
H49 H 0.5995 0.9199 0.4927 0.025 Uiso 1 1 calc R U . . .
C47 C 0.64584(16) 0.85884(12) 0.65666(8) 0.0188(4) Uani 1 1 d . . . . .
H47 H 0.7105 0.8775 0.6728 0.023 Uiso 1 1 calc R U . . .
C36 C 0.91738(17) 0.87544(13) 0.95584(8) 0.0229(4) Uani 1 1 d . . . . .
H36 H 0.8507 0.8961 0.9470 0.028 Uiso 1 1 calc R U . . .
C30 C 1.07018(16) 0.85521(12) 1.02388(8) 0.0190(4) Uani 1 1 d . . . . .
C48 C 0.48040(17) 0.86333(12) 0.51486(8) 0.0214(4) Uani 1 1 d . . . . .
H48 H 0.4141 0.8450 0.5016 0.026 Uiso 1 1 calc R U . . .
C52 C 0.37510(17) 0.92132(12) 0.33545(8) 0.0219(4) Uani 1 1 d . . . . .
H52 H 0.3098 0.9074 0.3177 0.026 Uiso 1 1 calc R U . . .
C24 C 0.62378(19) 0.44757(16) 0.99185(10) 0.0350(6) Uani 1 1 d . . . . .
H24 H 0.6154 0.3889 0.9983 0.042 Uiso 1 1 calc R U . . .
C44 C 0.45899(17) 0.80329(13) 0.60830(8) 0.0220(4) Uani 1 1 d . . . . .
H44 H 0.3946 0.7828 0.5930 0.026 Uiso 1 1 calc R U . . .
C12 C 0.43686(17) 0.79982(14) 0.88286(9) 0.0241(4) Uani 1 1 d . . . . .
H12 H 0.3876 0.7914 0.9066 0.029 Uiso 1 1 calc R U . . .
C54 C 0.56592(17) 0.95925(13) 0.38735(8) 0.0236(4) Uani 1 1 d . . . . .
H54 H 0.6324 0.9725 0.4036 0.028 Uiso 1 1 calc R U . . .
C14 C 0.30694(18) 0.74480(18) 0.80466(9) 0.0325(5) Uani 1 1 d . . . . .
C34 C 1.21679(17) 0.82390(13) 1.09351(8) 0.0240(4) Uani 1 1 d . . . . .
H34 H 1.2505 0.8287 1.1301 0.029 Uiso 1 1 calc R U . . .
C16 C 0.65697(17) 0.59337(17) 1.02796(9) 0.0315(5) Uani 1 1 d . . . . .
C22 C 0.62997(16) 0.56681(14) 0.92714(8) 0.0230(4) Uani 1 1 d . . . . .
C17 C 0.64387(18) 0.50404(17) 1.03769(10) 0.0337(6) Uani 1 1 d . . . . .
C2 C 0.59665(17) 0.92255(14) 1.07743(9) 0.0262(5) Uani 1 1 d . . . . .
C7 C 0.51365(19) 0.86670(17) 1.05971(9) 0.0363(6) Uani 1 1 d . . . . .
H7A H 0.4735 0.8467 1.0859 0.044 Uiso 1 1 calc R U . . .
C28 C 0.50386(19) 0.53348(13) 0.72115(9) 0.0261(5) Uani 1 1 d . . . . .
C23 C 0.61631(18) 0.47726(14) 0.93774(9) 0.0282(5) Uani 1 1 d . . . . .
H23 H 0.6023 0.4389 0.9079 0.034 Uiso 1 1 calc R U . . .
C45 C 0.51948(16) 0.84768(12) 0.57457(8) 0.0191(4) Uani 1 1 d . . . . .
C9 C 0.55076(16) 0.86984(13) 0.96420(8) 0.0193(4) Uani 1 1 d . . . . .
C5 C 0.76318(19) 1.03387(15) 1.10864(10) 0.0315(5) Uani 1 1 d . . . . .
H5 H 0.8182 1.0708 1.1193 0.038 Uiso 1 1 calc R U . . .
C6 C 0.7050(2) 1.00251(16) 1.14927(9) 0.0331(5) Uani 1 1 d . . . . .
H6 H 0.7221 1.0185 1.1867 0.040 Uiso 1 1 calc R U . . .
C8 C 0.49086(18) 0.84128(16) 1.00502(9) 0.0315(5) Uani 1 1 d . . . . .
H8 H 0.4353 0.8048 0.9945 0.038 Uiso 1 1 calc R U . . .
C1 C 0.6240(2) 0.94903(16) 1.13409(9) 0.0349(6) Uani 1 1 d . . . . .
H1 H 0.5858 0.9294 1.1613 0.042 Uiso 1 1 calc R U . . .
C15 C 0.6750(2) 0.6512(2) 1.07385(10) 0.0437(7) Uani 1 1 d . . . . .
H15 H 0.6826 0.7100 1.0675 0.052 Uiso 1 1 calc R U . . .
C18 C 0.65056(19) 0.4749(2) 1.09477(10) 0.0461(7) Uani 1 1 d . . . . .
H18 H 0.6418 0.4166 1.1022 0.055 Uiso 1 1 calc R U . . .
C20 C 0.6815(2) 0.6201(3) 1.12798(11) 0.0556(9) Uani 1 1 d . . . . .
H20 H 0.6939 0.6580 1.1582 0.067 Uiso 1 1 calc R U . . .
C19 C 0.6694(2) 0.5312(3) 1.13771(11) 0.0554(9) Uani 1 1 d . . . . .
H19 H 0.6744 0.5110 1.1744 0.066 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
C42 F7 1.326(2) . ?
C42 F9 1.338(2) . ?
C42 F8 1.345(2) . ?
C42 C41 1.526(3) . ?
Eu1 O2 2.3629(15) . ?
Eu1 O6 2.3730(13) . ?
Eu1 O3 2.3755(13) . ?
Eu1 O5 2.3758(14) . ?
Eu1 O1 2.3822(13) . ?
Eu1 O4 2.3933(13) . ?
Eu1 O7 2.4283(14) . ?
Eu1 N1 2.6003(16) . ?
C41 O6 1.268(2) . ?
C41 C40 1.376(3) . ?
F5 C28 1.335(2) . ?
O5 C39 1.254(2) . ?
C43 N1 1.343(3) . ?
C43 C44 1.386(3) . ?
F6 C28 1.340(2) . ?
C13 O2 1.263(2) . ?
C13 C12 1.379(3) . ?
C13 C14 1.531(3) . ?
N1 C47 1.344(3) . ?
C3 C10 1.413(3) . ?
C3 C4 1.417(3) . ?
C3 C2 1.424(3) . ?
O1 C11 1.252(2) . ?
O3 C25 1.263(2) . ?
C25 C26 1.413(3) . ?
C25 C22 1.497(3) . ?
O7 C55 1.437(2) . ?
O4 C27 1.263(2) . ?
C38 C37 1.368(3) . ?
C38 C31 1.419(3) . ?
C46 C47 1.385(3) . ?
C46 C45 1.393(3) . ?
F1 C14 1.339(3) . ?
F3 C14 1.324(3) . ?
C51 C52 1.384(3) . ?
C51 C50 1.400(3) . ?
F2 C14 1.322(3) . ?
C37 C36 1.423(3) . ?
C37 C39 1.494(3) . ?
C31 C32 1.413(3) . ?
C31 C30 1.421(3) . ?
C11 C12 1.424(3) . ?
C11 C9 1.498(3) . ?
F4 C28 1.335(3) . ?
C39 C40 1.420(3) . ?
C33 C32 1.370(3) . ?
C33 C34 1.414(3) . ?
N2 C53 1.333(3) . ?
N2 C52 1.342(3) . ?
C21 C22 1.369(3) . ?
C21 C16 1.422(3) . ?
C53 C54 1.385(3) . ?
C4 C5 1.366(3) . ?
C27 C26 1.384(3) . ?
C27 C28 1.531(3) . ?
C50 C54 1.390(3) . ?
C50 C49 1.469(3) . ?
C29 C34 1.361(3) . ?
C29 C30 1.421(3) . ?
C35 C36 1.368(3) . ?
C35 C30 1.419(3) . ?
C10 C9 1.374(3) . ?
C49 C48 1.330(3) . ?
C48 C45 1.475(3) . ?
C24 C23 1.370(3) . ?
C24 C17 1.402(4) . ?
C44 C45 1.394(3) . ?
C16 C15 1.414(4) . ?
C16 C17 1.416(4) . ?
C22 C23 1.424(3) . ?
C17 C18 1.435(3) . ?
C2 C7 1.411(3) . ?
C2 C1 1.419(3) . ?
C7 C8 1.365(3) . ?
C9 C8 1.413(3) . ?
C5 C6 1.409(3) . ?
C6 C1 1.358(3) . ?
C15 C20 1.379(4) . ?
C18 C19 1.347(4) . ?
C20 C19 1.407(5) . ?

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
F7 C42 F9 106.85(17) . . ?
F7 C42 F8 106.84(17) . . ?
F9 C42 F8 105.75(16) . . ?
F7 C42 C41 114.75(16) . . ?
F9 C42 C41 111.32(16) . . ?
F8 C42 C41 110.82(17) . . ?
O2 Eu1 O6 146.48(5) . . ?
O2 Eu1 O3 85.28(5) . . ?
O6 Eu1 O3 105.54(5) . . ?
O2 Eu1 O5 142.34(5) . . ?
O6 Eu1 O5 70.90(5) . . ?
O3 Eu1 O5 75.72(5) . . ?
O2 Eu1 O1 70.67(5) . . ?
O6 Eu1 O1 142.61(5) . . ?
O3 Eu1 O1 73.73(5) . . ?
O5 Eu1 O1 72.88(5) . . ?
O2 Eu1 O4 74.94(5) . . ?
O6 Eu1 O4 78.98(5) . . ?
O3 Eu1 O4 70.55(5) . . ?
O5 Eu1 O4 125.96(5) . . ?
O1 Eu1 O4 131.69(5) . . ?
O2 Eu1 O7 98.07(5) . . ?
O6 Eu1 O7 91.33(5) . . ?
O3 Eu1 O7 144.00(5) . . ?
O5 Eu1 O7 80.40(5) . . ?
O1 Eu1 O7 73.72(5) . . ?
O4 Eu1 O7 145.02(5) . . ?
O2 Eu1 N1 76.84(5) . . ?
O6 Eu1 N1 75.72(5) . . ?
O3 Eu1 N1 142.63(5) . . ?
O5 Eu1 N1 135.59(5) . . ?
O1 Eu1 N1 127.91(5) . . ?
O4 Eu1 N1 73.20(5) . . ?
O7 Eu1 N1 71.84(5) . . ?
O6 C41 C40 129.63(18) . . ?
O6 C41 C42 112.68(16) . . ?
C40 C41 C42 117.68(18) . . ?
C39 O5 Eu1 139.68(12) . . ?
N1 C43 C44 123.10(19) . . ?
O2 C13 C12 129.2(2) . . ?
O2 C13 C14 112.02(18) . . ?
C12 C13 C14 118.79(19) . . ?
C43 N1 C47 116.91(17) . . ?
C43 N1 Eu1 122.30(13) . . ?
C47 N1 Eu1 120.71(13) . . ?
C10 C3 C4 122.47(19) . . ?
C10 C3 C2 118.70(19) . . ?
C4 C3 C2 118.82(19) . . ?
C13 O2 Eu1 132.67(13) . . ?
C11 O1 Eu1 135.81(13) . . ?
C41 O6 Eu1 134.60(12) . . ?
C25 O3 Eu1 136.44(13) . . ?
O3 C25 C26 123.20(18) . . ?
O3 C25 C22 116.51(18) . . ?
C26 C25 C22 120.28(18) . . ?
C55 O7 Eu1 125.63(12) . . ?
C27 O4 Eu1 129.07(12) . . ?
C37 C38 C31 121.51(17) . . ?
C47 C46 C45 119.69(19) . . ?
C52 C51 C50 119.06(19) . . ?
C38 C37 C36 119.36(17) . . ?
C38 C37 C39 122.16(17) . . ?
C36 C37 C39 118.31(18) . . ?
C32 C31 C38 121.97(18) . . ?
C32 C31 C30 119.04(17) . . ?
C38 C31 C30 118.92(18) . . ?
O1 C11 C12 122.64(18) . . ?
O1 C11 C9 117.07(18) . . ?
C12 C11 C9 120.28(17) . . ?
O5 C39 C40 123.18(17) . . ?
O5 C39 C37 116.83(16) . . ?
C40 C39 C37 119.99(17) . . ?
C32 C33 C34 120.0(2) . . ?
C41 C40 C39 121.29(19) . . ?
C53 N2 C52 116.94(17) . . ?
C22 C21 C16 121.5(2) . . ?
N2 C53 C54 123.5(2) . . ?
C5 C4 C3 120.9(2) . . ?
O4 C27 C26 128.89(19) . . ?
O4 C27 C28 112.83(16) . . ?
C26 C27 C28 118.28(18) . . ?
C54 C50 C51 117.13(18) . . ?
C54 C50 C49 118.70(19) . . ?
C51 C50 C49 124.17(19) . . ?
C34 C29 C30 120.87(19) . . ?
C27 C26 C25 121.67(18) . . ?
C33 C32 C31 120.86(19) . . ?
C36 C35 C30 121.20(19) . . ?
C9 C10 C3 121.92(18) . . ?
C48 C49 C50 126.9(2) . . ?
N1 C47 C46 123.48(19) . . ?
C35 C36 C37 120.4(2) . . ?
C35 C30 C29 122.66(18) . . ?
C35 C30 C31 118.56(17) . . ?
C29 C30 C31 118.71(19) . . ?
C49 C48 C45 124.5(2) . . ?
N2 C52 C51 123.7(2) . . ?
C23 C24 C17 121.2(2) . . ?
C43 C44 C45 120.0(2) . . ?
C13 C12 C11 121.53(19) . . ?
C53 C54 C50 119.6(2) . . ?
F2 C14 F3 107.3(2) . . ?
F2 C14 F1 106.0(2) . . ?
F3 C14 F1 106.7(2) . . ?
F2 C14 C13 112.0(2) . . ?
F3 C14 C13 110.4(2) . . ?
F1 C14 C13 114.04(18) . . ?
C29 C34 C33 120.46(19) . . ?
C15 C16 C17 119.9(2) . . ?
C15 C16 C21 121.6(2) . . ?
C17 C16 C21 118.4(2) . . ?
C21 C22 C23 119.32(19) . . ?
C21 C22 C25 118.36(19) . . ?
C23 C22 C25 122.32(19) . . ?
C24 C17 C16 119.5(2) . . ?
C24 C17 C18 122.4(3) . . ?
C16 C17 C18 118.1(3) . . ?
C7 C2 C1 123.2(2) . . ?
C7 C2 C3 118.29(19) . . ?
C1 C2 C3 118.5(2) . . ?
C8 C7 C2 121.6(2) . . ?
F4 C28 F5 106.34(18) . . ?
F4 C28 F6 107.00(19) . . ?
F5 C28 F6 106.56(16) . . ?
F4 C28 C27 111.01(16) . . ?
F5 C28 C27 111.46(19) . . ?
F6 C28 C27 114.04(16) . . ?
C24 C23 C22 120.1(2) . . ?
C46 C45 C44 116.82(17) . . ?
C46 C45 C48 123.38(18) . . ?
C44 C45 C48 119.81(19) . . ?
C10 C9 C8 118.79(18) . . ?
C10 C9 C11 118.97(17) . . ?
C8 C9 C11 122.22(19) . . ?
C4 C5 C6 120.3(2) . . ?
C1 C6 C5 120.4(2) . . ?
C7 C8 C9 120.7(2) . . ?
C6 C1 C2 121.2(2) . . ?
C20 C15 C16 119.8(3) . . ?
C19 C18 C17 120.7(3) . . ?
C15 C20 C19 120.3(3) . . ?
C18 C19 C20 121.2(3) . . ?

_refine_diff_density_max         0.980
_refine_diff_density_min         -0.740
_refine_diff_density_rms         0.079

####################################################################### 
# 
# 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_2a
_database_code_depnum_ccdc_archive 'CCDC 1937949'
loop_
_audit_author_name
_audit_author_address
'Jing Zhang'
;Nanjing University
China
;
_audit_update_record             
;
2019-07-05 deposited with the CCDC.	2019-10-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C110 H76 F18 Gd2 N4 O14'
_chemical_formula_weight         2334.24

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   13.1434(11)
_cell_length_b                   15.3452(13)
_cell_length_c                   23.763(2)
_cell_angle_alpha                90
_cell_angle_beta                 97.7680(10)
_cell_angle_gamma                90
_cell_volume                     4748.8(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9984
_cell_measurement_theta_min      2.54
_cell_measurement_theta_max      27.47

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.632
_exptl_crystal_F_000             2332
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    1.490
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            39575
_diffrn_reflns_av_unetI/netI     0.0868
_diffrn_reflns_av_R_equivalents  0.0923
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.051
_diffrn_reflns_theta_max         27.542
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             10877
_reflns_number_gt                8551
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1014P)²+1.5200P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10877
_refine_ls_number_parameters     672
_refine_ls_number_restraints     56
_refine_ls_R_factor_all          0.0774
_refine_ls_R_factor_gt           0.0590
_refine_ls_wR_factor_ref         0.1658
_refine_ls_wR_factor_gt          0.1542
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.1254(5) 0.4430(4) 1.1408(2) 0.0355(13) Uani 1 1 d . . . . .
H1 H 0.084812 0.423175 1.167346 0.043 Uiso 1 1 calc R U . . .
C2 C 0.0984(4) 0.4225(4) 1.0825(2) 0.0276(11) Uani 1 1 d . . . . .
C3 C 0.1622(4) 0.4547(3) 1.0432(2) 0.0253(11) Uani 1 1 d . . . . .
C4 C 0.2481(4) 0.5066(4) 1.0635(2) 0.0309(12) Uani 1 1 d . . . . .
H4 H 0.289046 0.528978 1.037919 0.037 Uiso 1 1 calc R U . . .
C5 C 0.2716(5) 0.5243(4) 1.1198(3) 0.0380(14) Uani 1 1 d . . . . .
H5 H 0.328719 0.558149 1.132675 0.046 Uiso 1 1 calc R U . . .
C6 C 0.2103(5) 0.4916(5) 1.1580(3) 0.0445(16) Uani 1 1 d . . . . .
H6 H 0.227817 0.503345 1.196524 0.053 Uiso 1 1 calc R U . . .
C7 C 0.0120(4) 0.3725(4) 1.0619(2) 0.0306(12) Uani 1 1 d . . . . .
H7 H -0.030639 0.352650 1.087326 0.037 Uiso 1 1 calc R U . . .
C8 C -0.0117(4) 0.3519(4) 1.0056(2) 0.0279(12) Uani 1 1 d . . . . .
H8 H -0.069693 0.318808 0.993278 0.033 Uiso 1 1 calc R U . . .
C9 C 0.0536(4) 0.3818(3) 0.9658(2) 0.0223(10) Uani 1 1 d . . . . .
C10 C 0.1371(4) 0.4325(3) 0.9853(2) 0.0234(10) Uani 1 1 d . . . . .
H10 H 0.178593 0.452983 0.959423 0.028 Uiso 1 1 calc R U . . .
C11 C 0.0359(4) 0.3561(3) 0.9044(2) 0.0220(10) Uani 1 1 d . . . . .
C12 C -0.0571(4) 0.3159(4) 0.8817(3) 0.0326(14) Uani 1 1 d . . . . .
H12 H -0.106428 0.305102 0.905421 0.039 Uiso 1 1 calc R U . . .
C13 C -0.0770(4) 0.2924(4) 0.8261(3) 0.0349(14) Uani 1 1 d . . . . .
C14 C -0.1835(4) 0.2589(6) 0.8026(3) 0.056(2) Uani 1 1 d . . . . .
C15 C 0.1880(6) 0.1858(5) 1.0700(4) 0.060(2) Uani 1 1 d . U . . .
H15 H 0.201633 0.243640 1.061982 0.072 Uiso 1 1 calc R U . . .
C16 C 0.1691(5) 0.1291(5) 1.0269(3) 0.0465(15) Uani 1 1 d . U . . .
C17 C 0.1485(5) 0.0434(6) 1.0396(3) 0.0589(19) Uani 1 1 d . U . . .
C18 C 0.1456(5) 0.0143(7) 1.0985(4) 0.067(2) Uani 1 1 d . U . . .
H18 H 0.130145 -0.042668 1.107599 0.080 Uiso 1 1 calc R U . . .
C19 C 0.1657(6) 0.0725(7) 1.1353(4) 0.067(2) Uani 1 1 d . U . . .
H19 H 0.166253 0.055539 1.172929 0.081 Uiso 1 1 calc R U . . .
C20 C 0.1877(7) 0.1608(7) 1.1260(4) 0.074(2) Uani 1 1 d . U . . .
H20 H 0.201206 0.200230 1.155808 0.088 Uiso 1 1 calc R U . . .
C21 C 0.1690(5) 0.1558(5) 0.9698(3) 0.0443(16) Uani 1 1 d . U . . .
H21 H 0.185008 0.212919 0.961273 0.053 Uiso 1 1 calc R U . . .
C22 C 0.1447(4) 0.0958(4) 0.9274(3) 0.0349(14) Uani 1 1 d . . . . .
C23 C 0.1241(5) 0.0094(5) 0.9415(3) 0.0452(16) Uani 1 1 d . U . . .
H23 H 0.108317 -0.031270 0.912621 0.054 Uiso 1 1 calc R U . . .
C24 C 0.1268(5) -0.0164(6) 0.9972(4) 0.060(2) Uani 1 1 d . U . . .
H24 H 0.113885 -0.074142 1.005772 0.072 Uiso 1 1 calc R U . . .
C25 C 0.1370(4) 0.1286(4) 0.8672(2) 0.0307(13) Uani 1 1 d . . . . .
C26 C 0.0821(4) 0.0828(3) 0.8227(2) 0.0284(12) Uani 1 1 d . . . . .
H26 H 0.048540 0.031861 0.830859 0.034 Uiso 1 1 calc R U . . .
C27 C 0.0751(4) 0.1095(3) 0.7668(2) 0.0248(11) Uani 1 1 d . . . . .
C28 C 0.0086(5) 0.0582(3) 0.7212(2) 0.0326(13) Uani 1 1 d . . . . .
C29 C 0.6278(4) 0.3338(4) 1.0833(2) 0.0285(12) Uani 1 1 d . . . . .
H29 H 0.600607 0.361701 1.112650 0.034 Uiso 1 1 calc R U . . .
C30 C 0.5736(4) 0.3359(3) 1.0278(2) 0.0240(11) Uani 1 1 d . . . . .
C31 C 0.6173(4) 0.2947(3) 0.9833(2) 0.0177(10) Uani 1 1 d . . . . .
C32 C 0.7126(4) 0.2520(3) 0.9956(2) 0.0229(10) Uani 1 1 d . . . . .
H32 H 0.741453 0.224916 0.966545 0.028 Uiso 1 1 calc R U . . .
C33 C 0.7634(4) 0.2499(3) 1.0502(2) 0.0247(11) Uani 1 1 d . . . . .
H33 H 0.826151 0.221328 1.057937 0.030 Uiso 1 1 calc R U . . .
C34 C 0.7196(4) 0.2913(3) 1.0945(2) 0.0271(11) Uani 1 1 d . . . . .
H34 H 0.753661 0.289600 1.131384 0.032 Uiso 1 1 calc R U . . .
C35 C 0.4766(4) 0.3772(4) 1.0147(2) 0.0326(13) Uani 1 1 d . . . . .
H35 H 0.448023 0.405304 1.043520 0.039 Uiso 1 1 calc R U . . .
C36 C 0.4246(4) 0.3767(4) 0.9614(2) 0.0294(12) Uani 1 1 d . . . . .
H36 H 0.360154 0.402622 0.954441 0.035 Uiso 1 1 calc R U . . .
C37 C 0.4678(4) 0.3367(3) 0.9160(2) 0.0200(10) Uani 1 1 d . . . . .
C38 C 0.5632(4) 0.2970(3) 0.9274(2) 0.0181(10) Uani 1 1 d . . . . .
H38 H 0.592204 0.271407 0.897817 0.022 Uiso 1 1 calc R U . . .
C39 C 0.4057(4) 0.3321(3) 0.8584(2) 0.0174(9) Uani 1 1 d . . . . .
C40 C 0.4565(4) 0.3135(3) 0.8106(2) 0.0185(10) Uani 1 1 d . . . . .
H40 H 0.527789 0.311498 0.814641 0.022 Uiso 1 1 calc R U . . .
C41 C 0.4003(4) 0.2985(3) 0.7583(2) 0.0169(9) Uani 1 1 d . . . . .
C42 C 0.4603(4) 0.2854(4) 0.7081(2) 0.0261(11) Uani 1 1 d . . . . .
C43 C 0.0040(4) 0.3197(3) 0.6607(2) 0.0206(10) Uani 1 1 d . . . . .
H43 H -0.037343 0.285646 0.680710 0.025 Uiso 1 1 calc R U . . .
C44 C -0.0327(4) 0.3433(3) 0.6046(2) 0.0230(10) Uani 1 1 d . . . . .
H44 H -0.097021 0.323990 0.588193 0.028 Uiso 1 1 calc R U . . .
C45 C 0.0252(4) 0.3947(3) 0.5736(2) 0.0184(9) Uani 1 1 d . . . . .
C46 C 0.1248(4) 0.4140(3) 0.5994(2) 0.0183(10) Uani 1 1 d . . . . .
H46 H 0.169622 0.444203 0.579319 0.022 Uiso 1 1 calc R U . . .
C47 C 0.1565(4) 0.3884(3) 0.65456(19) 0.0185(9) Uani 1 1 d . . . . .
H47 H 0.223058 0.402136 0.670576 0.022 Uiso 1 1 calc R U . . .
C48 C -0.0220(4) 0.4376(3) 0.5194(2) 0.0222(10) Uani 1 1 d . . . . .
H48 H -0.082990 0.405644 0.502236 0.027 Uiso 1 1 calc R U . . .
C49 C 0.0473(4) 0.4616(3) 0.4742(2) 0.0203(10) Uani 1 1 d . . . . .
H49 H 0.119502 0.449673 0.488270 0.024 Uiso 1 1 calc R U . . .
C50 C 0.0204(4) 0.4288(3) 0.4135(2) 0.0200(10) Uani 1 1 d . . . . .
C51 C -0.0725(4) 0.3926(3) 0.3916(2) 0.0238(11) Uani 1 1 d . . . . .
H51 H -0.116289 0.370063 0.415599 0.029 Uiso 1 1 calc R U . . .
C52 C -0.0997(5) 0.3903(3) 0.3330(2) 0.0284(12) Uani 1 1 d . . . . .
H52 H -0.163384 0.366866 0.318955 0.034 Uiso 1 1 calc R U . . .
C53 C 0.0532(5) 0.4469(4) 0.3174(2) 0.0353(13) Uani 1 1 d . . . . .
H53 H 0.098054 0.463758 0.292356 0.042 Uiso 1 1 calc R U . . .
C54 C 0.0863(4) 0.4514(4) 0.3747(2) 0.0321(12) Uani 1 1 d . . . . .
H54 H 0.152854 0.469670 0.387597 0.039 Uiso 1 1 calc R U . . .
C55 C 0.1981(5) 0.5293(4) 0.8255(2) 0.0338(13) Uani 1 1 d . U . . .
H55A H 0.143989 0.542700 0.847492 0.051 Uiso 1 1 calc R U . . .
H55B H 0.220944 0.581907 0.809283 0.051 Uiso 1 1 calc R U . . .
H55C H 0.254377 0.503095 0.849549 0.051 Uiso 1 1 calc R U . . .
Gd1 Gd 0.16053(2) 0.31137(2) 0.79220(2) 0.01663(10) Uani 1 1 d . . . . .
F1 F -0.2492(3) 0.2541(4) 0.84035(19) 0.096(2) Uani 1 1 d . . . . .
F2 F -0.2290(4) 0.3103(4) 0.7623(3) 0.110(3) Uani 1 1 d . . . . .
F3 F -0.1810(4) 0.1822(4) 0.7790(3) 0.097(2) Uani 1 1 d . . . . .
F4 F -0.0564(3) 0.1104(2) 0.68899(17) 0.0499(10) Uani 1 1 d . . . . .
F5 F 0.0651(3) 0.0187(2) 0.68610(17) 0.0513(11) Uani 1 1 d . . . . .
F6 F -0.0483(3) -0.0045(2) 0.74140(15) 0.0419(9) Uani 1 1 d . . . . .
F7 F 0.4343(3) 0.3450(2) 0.66790(14) 0.0409(8) Uani 1 1 d . . . . .
F8 F 0.4390(3) 0.2079(2) 0.68283(14) 0.0367(8) Uani 1 1 d . . . . .
F9 F 0.5615(2) 0.2880(3) 0.72185(15) 0.0503(10) Uani 1 1 d . . . . .
N1 N 0.0966(3) 0.3445(3) 0.68662(17) 0.0180(8) Uani 1 1 d . . . . .
N2 N -0.0415(4) 0.4191(3) 0.2958(2) 0.0351(11) Uani 1 1 d . . . . .
O1 O 0.1066(3) 0.3703(2) 0.87621(15) 0.0266(8) Uani 1 1 d . . . . .
O2 O -0.0188(3) 0.2952(2) 0.78758(16) 0.0267(8) Uani 1 1 d . . . . .
O3 O 0.1809(3) 0.2001(2) 0.86057(17) 0.0328(9) Uani 1 1 d . . . . .
O4 O 0.1185(3) 0.1744(2) 0.74721(16) 0.0258(8) Uani 1 1 d . . . . .
O5 O 0.3119(2) 0.3449(2) 0.85534(15) 0.0243(8) Uani 1 1 d . . . . .
O6 O 0.3042(3) 0.2920(2) 0.74422(15) 0.0234(8) Uani 1 1 d . . . . .
O7 O 0.1603(3) 0.4693(2) 0.78048(16) 0.0256(8) Uani 1 1 d . U . . .
H7A H 0.111(6) 0.500(5) 0.751(3) 0.08(3) Uiso 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C6 1.359(9) . ?
C1 C2 1.420(7) . ?
C1 H1 0.9300 . ?
C2 C7 1.402(8) . ?
C2 C3 1.424(7) . ?
C3 C4 1.411(8) . ?
C3 C10 1.414(7) . ?
C4 C5 1.361(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.387(8) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.367(7) . ?
C7 H7 0.9300 . ?
C8 C9 1.436(7) . ?
C8 H8 0.9300 . ?
C9 C10 1.374(7) . ?
C9 C11 1.497(7) . ?
C10 H10 0.9300 . ?
C11 O1 1.237(6) . ?
C11 C12 1.410(8) . ?
C12 C13 1.361(8) . ?
C12 H12 0.9300 . ?
C13 O2 1.269(7) . ?
C13 C14 1.524(8) . ?
C14 F3 1.306(9) . ?
C14 F2 1.320(10) . ?
C14 F1 1.329(6) . ?
C15 C16 1.341(11) . ?
C15 C20 1.386(12) . ?
C15 H15 0.9300 . ?
C16 C17 1.384(11) . ?
C16 C21 1.418(9) . ?
C17 C24 1.364(12) . ?
C17 C18 1.475(10) . ?
C18 C19 1.253(12) . ?
C18 H18 0.9300 . ?
C19 C20 1.410(13) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 C22 1.369(10) . ?
C21 H21 0.9300 . ?
C22 C23 1.403(9) . ?
C22 C25 1.507(7) . ?
C23 C24 1.377(9) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 O3 1.260(7) . ?
C25 C26 1.389(8) . ?
C26 C27 1.381(7) . ?
C26 H26 0.9300 . ?
C27 O4 1.267(6) . ?
C27 C28 1.518(8) . ?
C28 F5 1.334(6) . ?
C28 F4 1.335(7) . ?
C28 F6 1.347(6) . ?
C29 C34 1.366(8) . ?
C29 C30 1.412(7) . ?
C29 H29 0.9300 . ?
C30 C31 1.419(7) . ?
C30 C35 1.420(8) . ?
C31 C32 1.408(7) . ?
C31 C38 1.421(7) . ?
C32 C33 1.376(7) . ?
C32 H32 0.9300 . ?
C33 C34 1.416(8) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
C35 C36 1.356(8) . ?
C35 H35 0.9300 . ?
C36 C37 1.425(7) . ?
C36 H36 0.9300 . ?
C37 C38 1.387(7) . ?
C37 C39 1.497(7) . ?
C38 H38 0.9300 . ?
C39 O5 1.241(6) . ?
C39 C40 1.423(7) . ?
C40 C41 1.375(7) . ?
C40 H40 0.9300 . ?
C41 O6 1.267(6) . ?
C41 C42 1.529(7) . ?
C42 F9 1.327(6) . ?
C42 F7 1.333(6) . ?
C42 F8 1.346(6) . ?
C43 N1 1.343(6) . ?
C43 C44 1.402(7) . ?
C43 H43 0.9300 . ?
C44 C45 1.377(7) . ?
C44 H44 0.9300 . ?
C45 C46 1.401(7) . ?
C45 C48 1.504(6) . ?
C46 C47 1.378(6) . ?
C46 H46 0.9300 . ?
C47 N1 1.347(6) . ?
C47 H47 0.9300 . ?
C48 C49 1.544(6) . ?
C48 C49 1.594(7) 3_566 ?
C48 H48 0.9800 . ?
C49 C50 1.522(7) . ?
C49 H49 0.9800 . ?
C50 C51 1.378(7) . ?
C50 C54 1.392(7) . ?
C51 C52 1.392(7) . ?
C51 H51 0.9300 . ?
C52 N2 1.320(7) . ?
C52 H52 0.9300 . ?
C53 N2 1.349(8) . ?
C53 C54 1.374(8) . ?
C53 H53 0.9300 . ?
C54 H54 0.9300 . ?
C55 O7 1.447(6) . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
Gd1 O3 2.347(4) . ?
Gd1 O6 2.353(3) . ?
Gd1 O2 2.358(4) . ?
Gd1 O5 2.381(4) . ?
Gd1 O1 2.385(3) . ?
Gd1 O4 2.389(4) . ?
Gd1 O7 2.439(4) . ?
Gd1 N1 2.586(4) . ?
O7 H7A 1.00(9) . ?

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
C6 C1 C2 120.2(5) . . ?
C6 C1 H1 119.9 . . ?
C2 C1 H1 119.9 . . ?
C7 C2 C1 123.1(5) . . ?
C7 C2 C3 118.8(5) . . ?
C1 C2 C3 118.1(5) . . ?
C4 C3 C10 122.6(5) . . ?
C4 C3 C2 119.2(5) . . ?
C10 C3 C2 118.2(5) . . ?
C5 C4 C3 120.8(5) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
C4 C5 C6 119.8(6) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C1 C6 C5 121.8(6) . . ?
C1 C6 H6 119.1 . . ?
C5 C6 H6 119.1 . . ?
C8 C7 C2 122.3(5) . . ?
C8 C7 H7 118.9 . . ?
C2 C7 H7 118.9 . . ?
C7 C8 C9 119.5(5) . . ?
C7 C8 H8 120.2 . . ?
C9 C8 H8 120.2 . . ?
C10 C9 C8 118.6(5) . . ?
C10 C9 C11 119.3(4) . . ?
C8 C9 C11 122.0(5) . . ?
C9 C10 C3 122.4(4) . . ?
C9 C10 H10 118.8 . . ?
C3 C10 H10 118.8 . . ?
O1 C11 C12 123.0(5) . . ?
O1 C11 C9 116.9(5) . . ?
C12 C11 C9 120.1(4) . . ?
C13 C12 C11 122.1(5) . . ?
C13 C12 H12 119.0 . . ?
C11 C12 H12 119.0 . . ?
O2 C13 C12 129.5(6) . . ?
O2 C13 C14 111.1(5) . . ?
C12 C13 C14 119.4(5) . . ?
F3 C14 F2 105.2(6) . . ?
F3 C14 F1 107.2(7) . . ?
F2 C14 F1 104.5(6) . . ?
F3 C14 C13 112.7(6) . . ?
F2 C14 C13 111.6(7) . . ?
F1 C14 C13 114.9(5) . . ?
C16 C15 C20 121.9(9) . . ?
C16 C15 H15 119.0 . . ?
C20 C15 H15 119.0 . . ?
C15 C16 C17 118.2(7) . . ?
C15 C16 C21 121.2(8) . . ?
C17 C16 C21 120.5(7) . . ?
C24 C17 C16 120.4(7) . . ?
C24 C17 C18 118.0(8) . . ?
C16 C17 C18 121.6(9) . . ?
C19 C18 C17 114.7(10) . . ?
C19 C18 H18 122.7 . . ?
C17 C18 H18 122.7 . . ?
C18 C19 C20 127.1(9) . . ?
C18 C19 H19 116.4 . . ?
C20 C19 H19 116.4 . . ?
C15 C20 C19 116.4(9) . . ?
C15 C20 H20 121.8 . . ?
C19 C20 H20 121.8 . . ?
C22 C21 C16 118.6(7) . . ?
C22 C21 H21 120.7 . . ?
C16 C21 H21 120.7 . . ?
C21 C22 C23 119.6(6) . . ?
C21 C22 C25 116.9(6) . . ?
C23 C22 C25 123.4(6) . . ?
C24 C23 C22 121.3(8) . . ?
C24 C23 H23 119.3 . . ?
C22 C23 H23 119.3 . . ?
C17 C24 C23 119.5(8) . . ?
C17 C24 H24 120.3 . . ?
C23 C24 H24 120.3 . . ?
O3 C25 C26 123.1(5) . . ?
O3 C25 C22 115.9(5) . . ?
C26 C25 C22 121.0(5) . . ?
C27 C26 C25 122.8(5) . . ?
C27 C26 H26 118.6 . . ?
C25 C26 H26 118.6 . . ?
O4 C27 C26 127.8(5) . . ?
O4 C27 C28 112.9(5) . . ?
C26 C27 C28 119.3(5) . . ?
F5 C28 F4 106.4(5) . . ?
F5 C28 F6 106.4(4) . . ?
F4 C28 F6 106.8(5) . . ?
F5 C28 C27 111.5(5) . . ?
F4 C28 C27 111.1(4) . . ?
F6 C28 C27 114.2(5) . . ?
C34 C29 C30 120.9(5) . . ?
C34 C29 H29 119.6 . . ?
C30 C29 H29 119.6 . . ?
C29 C30 C31 118.8(5) . . ?
C29 C30 C35 122.6(5) . . ?
C31 C30 C35 118.5(5) . . ?
C32 C31 C30 119.4(5) . . ?
C32 C31 C38 121.7(4) . . ?
C30 C31 C38 119.0(4) . . ?
C33 C32 C31 120.8(5) . . ?
C33 C32 H32 119.6 . . ?
C31 C32 H32 119.6 . . ?
C32 C33 C34 119.7(5) . . ?
C32 C33 H33 120.2 . . ?
C34 C33 H33 120.2 . . ?
C29 C34 C33 120.5(5) . . ?
C29 C34 H34 119.8 . . ?
C33 C34 H34 119.8 . . ?
C36 C35 C30 121.8(5) . . ?
C36 C35 H35 119.1 . . ?
C30 C35 H35 119.1 . . ?
C35 C36 C37 120.5(5) . . ?
C35 C36 H36 119.7 . . ?
C37 C36 H36 119.7 . . ?
C38 C37 C36 119.0(5) . . ?
C38 C37 C39 121.6(4) . . ?
C36 C37 C39 119.3(5) . . ?
C37 C38 C31 121.2(4) . . ?
C37 C38 H38 119.4 . . ?
C31 C38 H38 119.4 . . ?
O5 C39 C40 123.7(5) . . ?
O5 C39 C37 117.4(4) . . ?
C40 C39 C37 118.9(4) . . ?
C41 C40 C39 120.2(5) . . ?
C41 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
O6 C41 C40 130.3(5) . . ?
O6 C41 C42 112.6(4) . . ?
C40 C41 C42 117.1(4) . . ?
F9 C42 F7 107.9(4) . . ?
F9 C42 F8 106.1(5) . . ?
F7 C42 F8 105.6(4) . . ?
F9 C42 C41 114.2(4) . . ?
F7 C42 C41 111.1(4) . . ?
F8 C42 C41 111.5(4) . . ?
N1 C43 C44 122.5(4) . . ?
N1 C43 H43 118.7 . . ?
C44 C43 H43 118.7 . . ?
C45 C44 C43 120.8(5) . . ?
C45 C44 H44 119.6 . . ?
C43 C44 H44 119.6 . . ?
C44 C45 C46 116.0(4) . . ?
C44 C45 C48 121.0(4) . . ?
C46 C45 C48 122.4(4) . . ?
C47 C46 C45 120.0(4) . . ?
C47 C46 H46 120.0 . . ?
C45 C46 H46 120.0 . . ?
N1 C47 C46 123.8(4) . . ?
N1 C47 H47 118.1 . . ?
C46 C47 H47 118.1 . . ?
C45 C48 C49 119.1(4) . . ?
C45 C48 C49 114.2(4) . 3_566 ?
C49 C48 C49 89.2(4) . 3_566 ?
C45 C48 H48 110.9 . . ?
C49 C48 H48 110.9 . . ?
C49 C48 H48 110.9 3_566 . ?
C50 C49 C48 119.8(4) . . ?
C50 C49 C48 112.8(4) . 3_566 ?
C48 C49 C48 90.8(4) . 3_566 ?
C50 C49 H49 110.7 . . ?
C48 C49 H49 110.7 . . ?
C48 C49 H49 110.7 3_566 . ?
C51 C50 C54 116.7(5) . . ?
C51 C50 C49 124.9(4) . . ?
C54 C50 C49 117.3(5) . . ?
C50 C51 C52 118.9(5) . . ?
C50 C51 H51 120.5 . . ?
C52 C51 H51 120.5 . . ?
N2 C52 C51 124.5(5) . . ?
N2 C52 H52 117.7 . . ?
C51 C52 H52 117.7 . . ?
N2 C53 C54 123.0(5) . . ?
N2 C53 H53 118.5 . . ?
C54 C53 H53 118.5 . . ?
C53 C54 C50 120.1(5) . . ?
C53 C54 H54 119.9 . . ?
C50 C54 H54 119.9 . . ?
O7 C55 H55A 109.5 . . ?
O7 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
O7 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
O3 Gd1 O6 102.68(14) . . ?
O3 Gd1 O2 88.59(14) . . ?
O6 Gd1 O2 145.78(13) . . ?
O3 Gd1 O5 73.34(14) . . ?
O6 Gd1 O5 71.07(12) . . ?
O2 Gd1 O5 142.85(12) . . ?
O3 Gd1 O1 73.48(13) . . ?
O6 Gd1 O1 143.35(12) . . ?
O2 Gd1 O1 70.77(12) . . ?
O5 Gd1 O1 73.03(12) . . ?
O3 Gd1 O4 70.58(13) . . ?
O6 Gd1 O4 79.86(12) . . ?
O2 Gd1 O4 73.58(13) . . ?
O5 Gd1 O4 126.52(13) . . ?
O1 Gd1 O4 129.17(12) . . ?
O3 Gd1 O7 143.12(13) . . ?
O6 Gd1 O7 93.38(12) . . ?
O2 Gd1 O7 96.53(13) . . ?
O5 Gd1 O7 81.10(13) . . ?
O1 Gd1 O7 73.90(12) . . ?
O4 Gd1 O7 145.74(12) . . ?
O3 Gd1 N1 143.74(14) . . ?
O6 Gd1 N1 74.42(12) . . ?
O2 Gd1 N1 77.54(13) . . ?
O5 Gd1 N1 134.67(12) . . ?
O1 Gd1 N1 130.02(13) . . ?
O4 Gd1 N1 73.37(13) . . ?
O7 Gd1 N1 72.47(12) . . ?
C43 N1 C47 116.4(4) . . ?
C43 N1 Gd1 123.0(3) . . ?
C47 N1 Gd1 120.6(3) . . ?
C52 N2 C53 116.1(5) . . ?
C11 O1 Gd1 135.8(3) . . ?
C13 O2 Gd1 131.7(4) . . ?
C25 O3 Gd1 135.2(4) . . ?
C27 O4 Gd1 127.9(3) . . ?
C39 O5 Gd1 137.9(3) . . ?
C41 O6 Gd1 134.3(3) . . ?
C55 O7 Gd1 123.6(3) . . ?
C55 O7 H7A 110(5) . . ?
Gd1 O7 H7A 123(5) . . ?

_refine_diff_density_max         1.944
_refine_diff_density_min         -0.793
_refine_diff_density_rms         0.177

####################################################################### 
# 
# 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_1a
_database_code_depnum_ccdc_archive 'CCDC 1937947'
loop_
_audit_author_name
_audit_author_address
'Jing Zhang'
;Nanjing University
China
;
_audit_update_record             
;
2019-07-05 deposited with the CCDC.	2019-10-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C110 H76 Eu2 F18 N4 O14'
_chemical_formula_weight         2323.66

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   13.1434(11)
_cell_length_b                   15.3452(13)
_cell_length_c                   23.763(2)
_cell_angle_alpha                90
_cell_angle_beta                 97.7680(10)
_cell_angle_gamma                90
_cell_volume                     4748.8(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9950
_cell_measurement_theta_min      2.18
_cell_measurement_theta_max      27.41

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.625
_exptl_crystal_F_000             2328
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    1.414
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            35191
_diffrn_reflns_av_unetI/netI     0.0426
_diffrn_reflns_av_R_equivalents  0.0467
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.584
_diffrn_reflns_theta_max         25.008
_diffrn_reflns_theta_full        25.008
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             8323
_reflns_number_gt                7456
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0362P)²+10.9680P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8323
_refine_ls_number_parameters     672
_refine_ls_number_restraints     56
_refine_ls_R_factor_all          0.0408
_refine_ls_R_factor_gt           0.0359
_refine_ls_wR_factor_ref         0.0915
_refine_ls_wR_factor_gt          0.0882
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.1271(4) 0.4436(3) 1.14123(18) 0.0423(11) Uani 1 1 d . . . . .
H1 H 0.086834 0.423374 1.167760 0.051 Uiso 1 1 calc R U . . .
C2 C 0.0999(3) 0.4233(3) 1.08259(17) 0.0305(9) Uani 1 1 d . . . . .
C3 C 0.1628(3) 0.4553(2) 1.04307(17) 0.0267(8) Uani 1 1 d . . . . .
C4 C 0.2494(3) 0.5070(3) 1.06297(19) 0.0341(9) Uani 1 1 d . . . . .
H4 H 0.290529 0.528777 1.037329 0.041 Uiso 1 1 calc R U . . .
C5 C 0.2731(4) 0.5251(3) 1.1194(2) 0.0422(11) Uani 1 1 d . . . . .
H5 H 0.330094 0.559211 1.131973 0.051 Uiso 1 1 calc R U . . .
C6 C 0.2120(4) 0.4926(3) 1.1585(2) 0.0485(12) Uani 1 1 d . . . . .
H6 H 0.229605 0.504691 1.196903 0.058 Uiso 1 1 calc R U . . .
C7 C 0.0130(3) 0.3734(3) 1.06208(18) 0.0354(10) Uani 1 1 d . . . . .
H7 H -0.029915 0.353718 1.087486 0.043 Uiso 1 1 calc R U . . .
C8 C -0.0101(3) 0.3530(3) 1.00596(17) 0.0322(9) Uani 1 1 d . . . . .
H8 H -0.068165 0.319948 0.993641 0.039 Uiso 1 1 calc R U . . .
C9 C 0.0541(3) 0.3820(3) 0.96621(16) 0.0272(8) Uani 1 1 d . . . . .
C10 C 0.1375(3) 0.4329(3) 0.98510(17) 0.0281(9) Uani 1 1 d . . . . .
H10 H 0.178672 0.453271 0.959033 0.034 Uiso 1 1 calc R U . . .
C11 C 0.0360(3) 0.3561(3) 0.90501(16) 0.0253(8) Uani 1 1 d . . . . .
C12 C -0.0571(3) 0.3150(3) 0.88205(18) 0.0373(10) Uani 1 1 d . . . . .
H12 H -0.106233 0.303977 0.905850 0.045 Uiso 1 1 calc R U . . .
C13 C -0.0772(3) 0.2912(3) 0.82633(18) 0.0334(10) Uani 1 1 d . . . . .
C14 C -0.1829(3) 0.2558(5) 0.8041(2) 0.0570(16) Uani 1 1 d . . . . .
C15 C 0.1873(4) 0.1842(4) 1.0713(3) 0.0643(16) Uani 1 1 d . U . . .
H15 H 0.199765 0.242244 1.063398 0.077 Uiso 1 1 calc R U . . .
C16 C 0.1685(4) 0.1262(4) 1.0282(2) 0.0519(12) Uani 1 1 d . U . . .
C17 C 0.1474(4) 0.0378(5) 1.0401(2) 0.0614(15) Uani 1 1 d . U . . .
C18 C 0.1475(4) 0.0103(5) 1.0985(3) 0.0715(18) Uani 1 1 d . U . . .
H18 H 0.133992 -0.047054 1.107631 0.086 Uiso 1 1 calc R U . . .
C19 C 0.1671(4) 0.0687(6) 1.1369(3) 0.0753(19) Uani 1 1 d . U . . .
H19 H 0.167543 0.051235 1.174444 0.090 Uiso 1 1 calc R U . . .
C20 C 0.1880(5) 0.1573(6) 1.1274(3) 0.0778(19) Uani 1 1 d . U . . .
H20 H 0.201834 0.196278 1.157455 0.093 Uiso 1 1 calc R U . . .
C21 C 0.1659(3) 0.1523(4) 0.9709(2) 0.0448(12) Uani 1 1 d . U . . .
H21 H 0.180511 0.209828 0.962485 0.054 Uiso 1 1 calc R U . . .
C22 C 0.1421(3) 0.0935(3) 0.92752(19) 0.0375(10) Uani 1 1 d . . . . .
C23 C 0.1223(3) 0.0056(3) 0.9405(2) 0.0458(12) Uani 1 1 d . U . . .
H23 H 0.106188 -0.034370 0.911212 0.055 Uiso 1 1 calc R U . . .
C24 C 0.1265(4) -0.0214(4) 0.9959(2) 0.0580(15) Uani 1 1 d . U . . .
H24 H 0.115259 -0.079709 1.003830 0.070 Uiso 1 1 calc R U . . .
C25 C 0.1356(3) 0.1270(3) 0.86825(18) 0.0321(9) Uani 1 1 d . . . . .
C26 C 0.0811(3) 0.0805(3) 0.82296(18) 0.0321(9) Uani 1 1 d . . . . .
H26 H 0.047357 0.029493 0.830673 0.038 Uiso 1 1 calc R U . . .
C27 C 0.0761(3) 0.1081(2) 0.76718(17) 0.0275(9) Uani 1 1 d . . . . .
C28 C 0.0108(4) 0.0555(3) 0.72118(18) 0.0353(10) Uani 1 1 d . . . . .
C29 C 0.6281(3) 0.3355(3) 1.08364(17) 0.0331(9) Uani 1 1 d . . . . .
H29 H 0.600536 0.362723 1.113083 0.040 Uiso 1 1 calc R U . . .
C30 C 0.5734(3) 0.3374(3) 1.02766(16) 0.0257(8) Uani 1 1 d . . . . .
C31 C 0.6175(3) 0.2952(2) 0.98373(16) 0.0212(8) Uani 1 1 d . . . . .
C32 C 0.7135(3) 0.2536(3) 0.99650(17) 0.0280(9) Uani 1 1 d . . . . .
H32 H 0.742976 0.226382 0.967697 0.034 Uiso 1 1 calc R U . . .
C33 C 0.7636(3) 0.2528(3) 1.05077(17) 0.0328(9) Uani 1 1 d . . . . .
H33 H 0.826614 0.224811 1.058775 0.039 Uiso 1 1 calc R U . . .
C34 C 0.7199(3) 0.2944(3) 1.09453(18) 0.0335(10) Uani 1 1 d . . . . .
H34 H 0.754462 0.293587 1.131367 0.040 Uiso 1 1 calc R U . . .
C35 C 0.4766(3) 0.3770(3) 1.01471(18) 0.0377(10) Uani 1 1 d . . . . .
H35 H 0.447448 0.404839 1.043415 0.045 Uiso 1 1 calc R U . . .
C36 C 0.4247(3) 0.3756(3) 0.96126(18) 0.0353(10) Uani 1 1 d . . . . .
H36 H 0.360042 0.401125 0.954069 0.042 Uiso 1 1 calc R U . . .
C37 C 0.4682(3) 0.3355(2) 0.91643(15) 0.0206(7) Uani 1 1 d . . . . .
C38 C 0.5631(3) 0.2966(2) 0.92808(15) 0.0188(7) Uani 1 1 d . . . . .
H38 H 0.592112 0.270513 0.898704 0.023 Uiso 1 1 calc R U . . .
C39 C 0.4069(3) 0.3306(2) 0.85886(15) 0.0196(7) Uani 1 1 d . . . . .
C40 C 0.4562(3) 0.3114(2) 0.81091(16) 0.0208(8) Uani 1 1 d . . . . .
H40 H 0.527530 0.309144 0.815013 0.025 Uiso 1 1 calc R U . . .
C41 C 0.4014(3) 0.2960(2) 0.75858(15) 0.0198(7) Uani 1 1 d . . . . .
C42 C 0.4614(3) 0.2813(3) 0.70862(16) 0.0287(9) Uani 1 1 d . . . . .
C43 C 0.0036(3) 0.3193(2) 0.65994(16) 0.0243(8) Uani 1 1 d . . . . .
H43 H -0.037861 0.285364 0.679992 0.029 Uiso 1 1 calc R U . . .
C44 C -0.0335(3) 0.3432(3) 0.60452(16) 0.0248(8) Uani 1 1 d . . . . .
H44 H -0.098434 0.325053 0.588322 0.030 Uiso 1 1 calc R U . . .
C45 C 0.0256(3) 0.3937(2) 0.57344(15) 0.0204(7) Uani 1 1 d . . . . .
C46 C 0.1249(3) 0.4119(2) 0.59842(15) 0.0211(7) Uani 1 1 d . . . . .
H46 H 0.169995 0.441169 0.578013 0.025 Uiso 1 1 calc R U . . .
C47 C 0.1565(3) 0.3864(2) 0.65384(15) 0.0211(8) Uani 1 1 d . . . . .
H47 H 0.223121 0.399989 0.669901 0.025 Uiso 1 1 calc R U . . .
C48 C -0.0225(3) 0.4376(2) 0.51938(15) 0.0216(8) Uani 1 1 d . . . . .
H48 H -0.084185 0.406303 0.502584 0.026 Uiso 1 1 calc R U . . .
C49 C 0.0464(3) 0.4609(2) 0.47343(15) 0.0223(8) Uani 1 1 d . . . . .
H49 H 0.118625 0.448153 0.486953 0.027 Uiso 1 1 calc R U . . .
C50 C 0.0176(3) 0.4295(2) 0.41322(16) 0.0237(8) Uani 1 1 d . . . . .
C51 C -0.0761(3) 0.3936(2) 0.39187(17) 0.0263(8) Uani 1 1 d . . . . .
H51 H -0.119655 0.371751 0.416253 0.032 Uiso 1 1 calc R U . . .
C52 C -0.1042(3) 0.3907(2) 0.33362(18) 0.0314(9) Uani 1 1 d . . . . .
H52 H -0.167585 0.366447 0.319978 0.038 Uiso 1 1 calc R U . . .
C53 C 0.0483(4) 0.4465(3) 0.31693(18) 0.0386(10) Uani 1 1 d . . . . .
H53 H 0.093128 0.462308 0.291594 0.046 Uiso 1 1 calc R U . . .
C54 C 0.0830(3) 0.4514(3) 0.37398(17) 0.0344(10) Uani 1 1 d . . . . .
H54 H 0.149848 0.469321 0.386349 0.041 Uiso 1 1 calc R U . . .
C55 C 0.1986(5) 0.5287(4) 0.8250(3) 0.0646(16) Uani 1 1 d . U . . .
H55A H 0.142849 0.542110 0.845828 0.097 Uiso 1 1 calc R U . . .
H55B H 0.222345 0.581294 0.809181 0.097 Uiso 1 1 calc R U . . .
H55C H 0.253743 0.502846 0.850126 0.097 Uiso 1 1 calc R U . . .
Eu1 Eu 0.16061(2) 0.31098(2) 0.79232(2) 0.01895(7) Uani 1 1 d . . . . .
F1 F -0.2467(2) 0.2494(3) 0.84253(15) 0.1006(16) Uani 1 1 d . . . . .
F2 F -0.2302(3) 0.3084(3) 0.76477(19) 0.1089(17) Uani 1 1 d . . . . .
F3 F -0.1788(3) 0.1792(3) 0.78025(19) 0.1012(16) Uani 1 1 d . . . . .
F4 F -0.0539(2) 0.10743(17) 0.68847(12) 0.0521(7) Uani 1 1 d . . . . .
F5 F 0.0692(2) 0.01665(17) 0.68662(13) 0.0566(8) Uani 1 1 d . . . . .
F6 F -0.0458(2) -0.00705(17) 0.74106(11) 0.0461(7) Uani 1 1 d . . . . .
F7 F 0.4364(2) 0.34189(19) 0.66825(11) 0.0466(7) Uani 1 1 d . . . . .
F8 F 0.4380(2) 0.20490(17) 0.68356(11) 0.0410(6) Uani 1 1 d . . . . .
F9 F 0.56204(18) 0.2836(2) 0.72231(11) 0.0586(9) Uani 1 1 d . . . . .
N1 N 0.0966(2) 0.34296(19) 0.68573(12) 0.0205(6) Uani 1 1 d . . . . .
N2 N -0.0461(3) 0.4203(2) 0.29560(15) 0.0355(8) Uani 1 1 d . . . . .
O1 O 0.1057(2) 0.37231(19) 0.87548(11) 0.0308(6) Uani 1 1 d . . . . .
O2 O -0.0188(2) 0.29456(19) 0.78777(11) 0.0305(6) Uani 1 1 d . . . . .
O3 O 0.1774(2) 0.19948(19) 0.86170(12) 0.0343(7) Uani 1 1 d . . . . .
O4 O 0.1195(2) 0.17248(17) 0.74812(11) 0.0285(6) Uani 1 1 d . . . . .
O5 O 0.31237(19) 0.34387(18) 0.85565(11) 0.0261(6) Uani 1 1 d . . . . .
O6 O 0.30496(18) 0.29106(17) 0.74434(10) 0.0233(6) Uani 1 1 d . . . . .
O7 O 0.1645(2) 0.46961(19) 0.78070(12) 0.0341(7) Uani 1 1 d . U . . .
H7A H 0.121(3) 0.501(3) 0.7586(19) 0.029(12) Uiso 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C6 1.361(7) . ?
C1 C2 1.425(6) . ?
C1 H1 0.9300 . ?
C2 C7 1.407(6) . ?
C2 C3 1.420(6) . ?
C3 C10 1.415(6) . ?
C3 C4 1.415(6) . ?
C4 C5 1.364(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.399(7) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.363(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.420(5) . ?
C8 H8 0.9300 . ?
C9 C10 1.371(6) . ?
C9 C11 1.495(5) . ?
C10 H10 0.9300 . ?
C11 O1 1.252(4) . ?
C11 C12 1.418(6) . ?
C12 C13 1.365(6) . ?
C12 H12 0.9300 . ?
C13 O2 1.274(5) . ?
C13 C14 1.518(6) . ?
C14 F3 1.308(7) . ?
C14 F1 1.324(5) . ?
C14 F2 1.325(7) . ?
C15 C16 1.352(8) . ?
C15 C20 1.395(9) . ?
C15 H15 0.9300 . ?
C16 C21 1.417(7) . ?
C16 C17 1.420(9) . ?
C17 C24 1.388(9) . ?
C17 C18 1.450(8) . ?
C18 C19 1.281(10) . ?
C18 H18 0.9300 . ?
C19 C20 1.410(10) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 C22 1.373(7) . ?
C21 H21 0.9300 . ?
C22 C23 1.417(7) . ?
C22 C25 1.491(6) . ?
C23 C24 1.374(7) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 O3 1.260(5) . ?
C25 C26 1.404(6) . ?
C26 C27 1.384(6) . ?
C26 H26 0.9300 . ?
C27 O4 1.256(5) . ?
C27 C28 1.527(6) . ?
C28 F4 1.336(5) . ?
C28 F5 1.338(5) . ?
C28 F6 1.339(5) . ?
C29 C34 1.355(6) . ?
C29 C30 1.425(5) . ?
C29 H29 0.9300 . ?
C30 C35 1.405(6) . ?
C30 C31 1.418(5) . ?
C31 C32 1.410(5) . ?
C31 C38 1.416(5) . ?
C32 C33 1.367(5) . ?
C32 H32 0.9300 . ?
C33 C34 1.406(6) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
C35 C36 1.358(6) . ?
C35 H35 0.9300 . ?
C36 C37 1.416(5) . ?
C36 H36 0.9300 . ?
C37 C38 1.377(5) . ?
C37 C39 1.492(5) . ?
C38 H38 0.9300 . ?
C39 O5 1.252(4) . ?
C39 C40 1.415(5) . ?
C40 C41 1.371(5) . ?
C40 H40 0.9300 . ?
C41 O6 1.269(4) . ?
C41 C42 1.528(5) . ?
C42 F9 1.320(4) . ?
C42 F8 1.332(5) . ?
C42 F7 1.344(5) . ?
C43 N1 1.341(5) . ?
C43 C44 1.390(5) . ?
C43 H43 0.9300 . ?
C44 C45 1.380(5) . ?
C44 H44 0.9300 . ?
C45 C46 1.388(5) . ?
C45 C48 1.511(5) . ?
C46 C47 1.383(5) . ?
C46 H46 0.9300 . ?
C47 N1 1.342(5) . ?
C47 H47 0.9300 . ?
C48 C49 1.551(5) . ?
C48 C49 1.603(5) 3_566 ?
C48 H48 0.9800 . ?
C49 C50 1.509(5) . ?
C49 H49 0.9800 . ?
C50 C51 1.382(6) . ?
C50 C54 1.391(5) . ?
C51 C52 1.384(6) . ?
C51 H51 0.9300 . ?
C52 N2 1.339(5) . ?
C52 H52 0.9300 . ?
C53 N2 1.337(6) . ?
C53 C54 1.373(6) . ?
C53 H53 0.9300 . ?
C54 H54 0.9300 . ?
C55 O7 1.416(6) . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
Eu1 O2 2.359(3) . ?
Eu1 O6 2.362(2) . ?
Eu1 O3 2.366(3) . ?
Eu1 O5 2.385(3) . ?
Eu1 O1 2.387(3) . ?
Eu1 O4 2.400(3) . ?
Eu1 O7 2.451(3) . ?
Eu1 N1 2.606(3) . ?
O7 H7A 0.86(5) . ?

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
C6 C1 C2 120.2(4) . . ?
C6 C1 H1 119.9 . . ?
C2 C1 H1 119.9 . . ?
C7 C2 C3 118.5(4) . . ?
C7 C2 C1 122.9(4) . . ?
C3 C2 C1 118.6(4) . . ?
C10 C3 C4 122.3(4) . . ?
C10 C3 C2 118.6(4) . . ?
C4 C3 C2 119.1(4) . . ?
C5 C4 C3 120.6(4) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C4 C5 C6 120.3(4) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C1 C6 C5 121.2(4) . . ?
C1 C6 H6 119.4 . . ?
C5 C6 H6 119.4 . . ?
C8 C7 C2 121.8(4) . . ?
C8 C7 H7 119.1 . . ?
C2 C7 H7 119.1 . . ?
C7 C8 C9 120.3(4) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 H8 119.8 . . ?
C10 C9 C8 118.8(4) . . ?
C10 C9 C11 119.0(3) . . ?
C8 C9 C11 122.2(4) . . ?
C9 C10 C3 121.9(4) . . ?
C9 C10 H10 119.0 . . ?
C3 C10 H10 119.0 . . ?
O1 C11 C12 122.1(4) . . ?
O1 C11 C9 117.4(3) . . ?
C12 C11 C9 120.5(3) . . ?
C13 C12 C11 122.5(4) . . ?
C13 C12 H12 118.8 . . ?
C11 C12 H12 118.8 . . ?
O2 C13 C12 129.1(4) . . ?
O2 C13 C14 112.1(4) . . ?
C12 C13 C14 118.8(4) . . ?
F3 C14 F1 107.5(5) . . ?
F3 C14 F2 106.5(5) . . ?
F1 C14 F2 104.5(5) . . ?
F3 C14 C13 112.5(4) . . ?
F1 C14 C13 115.0(4) . . ?
F2 C14 C13 110.3(5) . . ?
C16 C15 C20 120.4(7) . . ?
C16 C15 H15 119.8 . . ?
C20 C15 H15 119.8 . . ?
C15 C16 C21 121.3(6) . . ?
C15 C16 C17 119.9(5) . . ?
C21 C16 C17 118.8(5) . . ?
C24 C17 C16 119.9(5) . . ?
C24 C17 C18 120.5(6) . . ?
C16 C17 C18 119.5(7) . . ?
C19 C18 C17 116.9(8) . . ?
C19 C18 H18 121.5 . . ?
C17 C18 H18 121.5 . . ?
C18 C19 C20 125.8(7) . . ?
C18 C19 H19 117.1 . . ?
C20 C19 H19 117.1 . . ?
C15 C20 C19 117.5(7) . . ?
C15 C20 H20 121.3 . . ?
C19 C20 H20 121.3 . . ?
C22 C21 C16 120.6(5) . . ?
C22 C21 H21 119.7 . . ?
C16 C21 H21 119.7 . . ?
C21 C22 C23 119.5(4) . . ?
C21 C22 C25 117.4(4) . . ?
C23 C22 C25 123.0(4) . . ?
C24 C23 C22 120.7(6) . . ?
C24 C23 H23 119.6 . . ?
C22 C23 H23 119.6 . . ?
C23 C24 C17 120.4(6) . . ?
C23 C24 H24 119.8 . . ?
C17 C24 H24 119.8 . . ?
O3 C25 C26 122.7(4) . . ?
O3 C25 C22 116.8(4) . . ?
C26 C25 C22 120.5(4) . . ?
C27 C26 C25 122.1(4) . . ?
C27 C26 H26 118.9 . . ?
C25 C26 H26 118.9 . . ?
O4 C27 C26 128.4(4) . . ?
O4 C27 C28 113.4(3) . . ?
C26 C27 C28 118.2(4) . . ?
F4 C28 F5 106.4(4) . . ?
F4 C28 F6 107.0(4) . . ?
F5 C28 F6 106.8(3) . . ?
F4 C28 C27 110.7(3) . . ?
F5 C28 C27 111.2(4) . . ?
F6 C28 C27 114.3(3) . . ?
C34 C29 C30 120.9(4) . . ?
C34 C29 H29 119.6 . . ?
C30 C29 H29 119.6 . . ?
C35 C30 C31 119.0(3) . . ?
C35 C30 C29 122.8(4) . . ?
C31 C30 C29 118.2(4) . . ?
C32 C31 C38 122.1(3) . . ?
C32 C31 C30 119.5(3) . . ?
C38 C31 C30 118.4(3) . . ?
C33 C32 C31 120.7(4) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
C32 C33 C34 120.1(4) . . ?
C32 C33 H33 120.0 . . ?
C34 C33 H33 120.0 . . ?
C29 C34 C33 120.8(4) . . ?
C29 C34 H34 119.6 . . ?
C33 C34 H34 119.6 . . ?
C36 C35 C30 121.5(4) . . ?
C36 C35 H35 119.2 . . ?
C30 C35 H35 119.2 . . ?
C35 C36 C37 120.5(4) . . ?
C35 C36 H36 119.7 . . ?
C37 C36 H36 119.7 . . ?
C38 C37 C36 118.9(3) . . ?
C38 C37 C39 121.6(3) . . ?
C36 C37 C39 119.3(3) . . ?
C37 C38 C31 121.6(3) . . ?
C37 C38 H38 119.2 . . ?
C31 C38 H38 119.2 . . ?
O5 C39 C40 122.9(3) . . ?
O5 C39 C37 117.1(3) . . ?
C40 C39 C37 120.0(3) . . ?
C41 C40 C39 121.6(3) . . ?
C41 C40 H40 119.2 . . ?
C39 C40 H40 119.2 . . ?
O6 C41 C40 129.5(3) . . ?
O6 C41 C42 112.7(3) . . ?
C40 C41 C42 117.8(3) . . ?
F9 C42 F8 107.2(3) . . ?
F9 C42 F7 107.3(3) . . ?
F8 C42 F7 105.7(3) . . ?
F9 C42 C41 114.2(3) . . ?
F8 C42 C41 111.5(3) . . ?
F7 C42 C41 110.5(3) . . ?
N1 C43 C44 122.9(3) . . ?
N1 C43 H43 118.6 . . ?
C44 C43 H43 118.6 . . ?
C45 C44 C43 120.3(3) . . ?
C45 C44 H44 119.9 . . ?
C43 C44 H44 119.9 . . ?
C44 C45 C46 116.7(3) . . ?
C44 C45 C48 120.3(3) . . ?
C46 C45 C48 122.3(3) . . ?
C47 C46 C45 119.6(3) . . ?
C47 C46 H46 120.2 . . ?
C45 C46 H46 120.2 . . ?
N1 C47 C46 123.7(3) . . ?
N1 C47 H47 118.2 . . ?
C46 C47 H47 118.2 . . ?
C45 C48 C49 119.0(3) . . ?
C45 C48 C49 114.1(3) . 3_566 ?
C49 C48 C49 89.6(3) . 3_566 ?
C45 C48 H48 110.8 . . ?
C49 C48 H48 110.8 . . ?
C49 C48 H48 110.8 3_566 . ?
C50 C49 C48 119.9(3) . . ?
C50 C49 C48 112.6(3) . 3_566 ?
C48 C49 C48 90.4(3) . 3_566 ?
C50 C49 H49 110.8 . . ?
C48 C49 H49 110.8 . . ?
C48 C49 H49 110.8 3_566 . ?
C51 C50 C54 116.8(4) . . ?
C51 C50 C49 124.9(3) . . ?
C54 C50 C49 117.4(4) . . ?
C50 C51 C52 118.9(4) . . ?
C50 C51 H51 120.5 . . ?
C52 C51 H51 120.5 . . ?
N2 C52 C51 124.4(4) . . ?
N2 C52 H52 117.8 . . ?
C51 C52 H52 117.8 . . ?
N2 C53 C54 123.9(4) . . ?
N2 C53 H53 118.0 . . ?
C54 C53 H53 118.0 . . ?
C53 C54 C50 119.7(4) . . ?
C53 C54 H54 120.1 . . ?
C50 C54 H54 120.1 . . ?
O7 C55 H55A 109.5 . . ?
O7 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
O7 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
O2 Eu1 O6 145.81(9) . . ?
O2 Eu1 O3 87.33(10) . . ?
O6 Eu1 O3 103.72(10) . . ?
O2 Eu1 O5 142.85(9) . . ?
O6 Eu1 O5 70.98(9) . . ?
O3 Eu1 O5 73.84(10) . . ?
O2 Eu1 O1 70.60(9) . . ?
O6 Eu1 O1 143.44(9) . . ?
O3 Eu1 O1 73.64(10) . . ?
O5 Eu1 O1 73.43(9) . . ?
O2 Eu1 O4 73.80(10) . . ?
O6 Eu1 O4 79.75(9) . . ?
O3 Eu1 O4 70.04(9) . . ?
O5 Eu1 O4 125.67(9) . . ?
O1 Eu1 O4 129.51(9) . . ?
O2 Eu1 O7 97.88(10) . . ?
O6 Eu1 O7 92.50(10) . . ?
O3 Eu1 O7 142.69(10) . . ?
O5 Eu1 O7 80.35(10) . . ?
O1 Eu1 O7 73.44(10) . . ?
O4 Eu1 O7 146.85(9) . . ?
O2 Eu1 N1 77.64(9) . . ?
O6 Eu1 N1 74.35(9) . . ?
O3 Eu1 N1 143.24(10) . . ?
O5 Eu1 N1 134.95(9) . . ?
O1 Eu1 N1 129.53(9) . . ?
O4 Eu1 N1 73.58(9) . . ?
O7 Eu1 N1 73.29(9) . . ?
C43 N1 C47 116.4(3) . . ?
C43 N1 Eu1 123.2(2) . . ?
C47 N1 Eu1 120.3(2) . . ?
C53 N2 C52 115.5(4) . . ?
C11 O1 Eu1 135.4(3) . . ?
C13 O2 Eu1 131.9(3) . . ?
C25 O3 Eu1 136.3(3) . . ?
C27 O4 Eu1 128.7(2) . . ?
C39 O5 Eu1 138.0(2) . . ?
C41 O6 Eu1 134.6(2) . . ?
C55 O7 Eu1 124.2(3) . . ?
C55 O7 H7A 103(3) . . ?
Eu1 O7 H7A 126(3) . . ?

_refine_diff_density_max         1.397
_refine_diff_density_min         -0.946
_refine_diff_density_rms         0.090

####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1937948'
loop_
_audit_author_name
_audit_author_address
'Jing Zhang'
;Nanjing University
China
;
_audit_update_record             
;
2019-07-05 deposited with the CCDC.	2019-10-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C55 H38 F9 Gd N2 O7'
_chemical_formula_weight         1167.12

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   13.1610(13)
_cell_length_b                   15.4629(15)
_cell_length_c                   24.040(2)
_cell_angle_alpha                90
_cell_angle_beta                 98.0640(10)
_cell_angle_gamma                90
_cell_volume                     4843.8(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9904
_cell_measurement_theta_min      2.30
_cell_measurement_theta_max      27.59

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_F_000             2332
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    1.461
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            43371
_diffrn_reflns_av_unetI/netI     0.0293
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         2.044
_diffrn_reflns_theta_max         27.667
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             11209
_reflns_number_gt                9756
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0154P)²+4.3045P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11209
_refine_ls_number_parameters     672
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0322
_refine_ls_R_factor_gt           0.0246
_refine_ls_wR_factor_ref         0.0527
_refine_ls_wR_factor_gt          0.0504
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C42 C 0.95266(16) 0.75622(15) 0.71057(8) 0.0243(5) Uani 1 1 d . . . . .
Gd1 Gd 0.65346(2) 0.78457(2) 0.79371(2) 0.01515(3) Uani 1 1 d . . . . .
C41 C 0.89339(15) 0.77061(12) 0.75997(8) 0.0176(4) Uani 1 1 d . . . . .
F8 F 0.92236(13) 0.81228(11) 0.66884(6) 0.0463(4) Uani 1 1 d . . . . .
F5 F 0.56225(14) 0.49789(10) 0.68616(6) 0.0496(4) Uani 1 1 d . . . . .
O5 O 0.80435(11) 0.81708(9) 0.85587(6) 0.0206(3) Uani 1 1 d . . . . .
C43 C 0.49462(17) 0.78936(14) 0.66440(8) 0.0235(4) Uani 1 1 d . . . . .
H43 H 0.452362 0.760156 0.686031 0.028 Uiso 1 1 calc R U . . .
F6 F 0.44882(12) 0.46896(9) 0.73911(6) 0.0412(4) Uani 1 1 d . . . . .
C13 C 0.41532(16) 0.77357(15) 0.82677(9) 0.0244(5) Uani 1 1 d . . . . .
N1 N 0.58666(13) 0.81640(11) 0.68931(7) 0.0201(4) Uani 1 1 d . . . . .
C3 C 0.65482(17) 0.95278(14) 1.03544(9) 0.0231(4) Uani 1 1 d . . . . .
F9 F 0.93426(11) 0.67823(10) 0.68806(6) 0.0394(3) Uani 1 1 d . . . . .
O2 O 0.47460(11) 0.77162(10) 0.78941(6) 0.0253(3) Uani 1 1 d . . . . .
O1 O 0.60195(11) 0.84999(10) 0.87472(6) 0.0229(3) Uani 1 1 d . . . . .
O6 O 0.79747(11) 0.76180(10) 0.74669(6) 0.0214(3) Uani 1 1 d . . . . .
F7 F 1.05335(10) 0.76414(12) 0.72270(6) 0.0467(4) Uani 1 1 d . . . . .
O3 O 0.66339(12) 0.67553(10) 0.86294(6) 0.0255(3) Uani 1 1 d . . . . .
C25 C 0.62217(16) 0.60303(14) 0.86815(9) 0.0229(4) Uani 1 1 d . . . . .
O7 O 0.66144(13) 0.93862(10) 0.77923(6) 0.0239(3) Uani 1 1 d . . . . .
H7 H 0.628(2) 0.9607(19) 0.7557(12) 0.045(9) Uiso 1 1 d . . . . .
O4 O 0.61163(12) 0.64896(9) 0.74952(6) 0.0240(3) Uani 1 1 d . . . . .
C38 C 1.05987(15) 0.79865(12) 0.92755(8) 0.0169(4) Uani 1 1 d . . . . .
H38 H 1.090993 0.770018 0.900392 0.020 Uiso 1 1 calc R U . . .
C46 C 0.61560(17) 0.87455(13) 0.60014(8) 0.0215(4) Uani 1 1 d . . . . .
H46 H 0.659204 0.904122 0.579483 0.026 Uiso 1 1 calc R U . . .
F1 F 0.24389(12) 0.73835(15) 0.84278(7) 0.0685(6) Uani 1 1 d . . . . .
F3 F 0.26344(14) 0.79954(15) 0.76570(8) 0.0765(6) Uani 1 1 d . . . . .
C51 C 0.40177(18) 0.89891(13) 0.39133(8) 0.0235(4) Uani 1 1 d . . . . .
H51 H 0.354889 0.869869 0.410133 0.028 Uiso 1 1 calc R U . . .
F2 F 0.30513(14) 0.66834(14) 0.77962(8) 0.0704(6) Uani 1 1 d . . . . .
C37 C 0.96200(16) 0.82963(13) 0.91387(8) 0.0181(4) Uani 1 1 d . . . . .
C31 C 1.11474(15) 0.80935(13) 0.98232(8) 0.0179(4) Uani 1 1 d . . . . .
C55 C 0.69579(19) 1.00181(14) 0.82138(9) 0.0290(5) Uani 1 1 d . . . . .
H55A H 0.639368 1.018898 0.840259 0.044 Uiso 1 1 calc R U . . .
H55B H 0.721861 1.051439 0.803993 0.044 Uiso 1 1 calc R U . . .
H55C H 0.749128 0.977402 0.848113 0.044 Uiso 1 1 calc R U . . .
C11 C 0.53147(16) 0.83817(13) 0.90369(8) 0.0211(4) Uani 1 1 d . . . . .
F4 F 0.43745(14) 0.58448(10) 0.68914(7) 0.0554(5) Uani 1 1 d . . . . .
C39 C 0.89965(15) 0.81204(12) 0.85825(8) 0.0166(4) Uani 1 1 d . . . . .
C33 C 1.26061(17) 0.77828(15) 1.05263(9) 0.0265(5) Uani 1 1 d . . . . .
H33 H 1.323722 0.751554 1.063008 0.032 Uiso 1 1 calc R U . . .
C40 C 0.94907(15) 0.79111(13) 0.81113(8) 0.0190(4) Uani 1 1 d . . . . .
H40 H 1.020367 0.791254 0.814886 0.023 Uiso 1 1 calc R U . . .
N2 N 0.43941(15) 0.96427(12) 0.30588(7) 0.0259(4) Uani 1 1 d . . . . .
C21 C 0.65062(18) 0.62345(16) 0.97072(9) 0.0304(5) Uani 1 1 d . . . . .
H21 H 0.660332 0.681791 0.963667 0.037 Uiso 1 1 calc R U . . .
C53 C 0.53314(18) 0.98092(15) 0.33187(9) 0.0281(5) Uani 1 1 d . . . . .
H53 H 0.579163 1.008223 0.311618 0.034 Uiso 1 1 calc R U . . .
C4 C 0.73750(19) 1.01003(15) 1.05255(10) 0.0300(5) Uani 1 1 d . . . . .
H4 H 0.775816 1.031702 1.025985 0.036 Uiso 1 1 calc R U . . .
C27 C 0.56723(16) 0.58478(13) 0.76755(8) 0.0212(4) Uani 1 1 d . . . . .
C50 C 0.49932(17) 0.91935(13) 0.41896(8) 0.0220(4) Uani 1 1 d . . . . .
C29 C 1.12225(19) 0.86447(15) 1.07805(9) 0.0284(5) Uani 1 1 d . . . . .
H29 H 1.093640 0.896570 1.104663 0.034 Uiso 1 1 calc R U . . .
C26 C 0.56968(18) 0.55673(14) 0.82242(9) 0.0255(5) Uani 1 1 d . . . . .
H26 H 0.535726 0.505917 0.829284 0.031 Uiso 1 1 calc R U . . .
C32 C 1.21190(16) 0.77100(14) 0.99854(9) 0.0228(4) Uani 1 1 d . . . . .
H32 H 1.243140 0.740493 0.972219 0.027 Uiso 1 1 calc R U . . .
C35 C 0.96797(18) 0.88910(15) 1.00739(9) 0.0291(5) Uani 1 1 d . . . . .
H35 H 0.937228 0.920765 1.033384 0.035 Uiso 1 1 calc R U . . .
C10 C 0.62968(17) 0.92499(14) 0.97929(9) 0.0236(4) Uani 1 1 d . . . . .
H10 H 0.668191 0.945154 0.952371 0.028 Uiso 1 1 calc R U . . .
C49 C 0.53368(17) 0.90175(13) 0.47884(8) 0.0230(4) Uani 1 1 d . . . . .
H49 H 0.599684 0.919780 0.492967 0.028 Uiso 1 1 calc R U . . .
C47 C 0.64576(16) 0.85776(13) 0.65653(8) 0.0208(4) Uani 1 1 d . . . . .
H47 H 0.710535 0.876101 0.672678 0.025 Uiso 1 1 calc R U . . .
C36 C 0.91536(17) 0.87523(14) 0.95483(9) 0.0264(5) Uani 1 1 d . . . . .
H36 H 0.848673 0.895831 0.945937 0.032 Uiso 1 1 calc R U . . .
C30 C 1.06810(17) 0.85617(13) 1.02282(8) 0.0221(4) Uani 1 1 d . . . . .
C48 C 0.48089(18) 0.86300(14) 0.51487(8) 0.0244(4) Uani 1 1 d . . . . .
H48 H 0.414644 0.844641 0.501547 0.029 Uiso 1 1 calc R U . . .
C52 C 0.37572(18) 0.92246(13) 0.33555(8) 0.0240(4) Uani 1 1 d . . . . .
H52 H 0.310457 0.908501 0.317712 0.029 Uiso 1 1 calc R U . . .
C24 C 0.6240(2) 0.44835(18) 0.99134(11) 0.0412(6) Uani 1 1 d . . . . .
H24 H 0.615538 0.389658 0.997797 0.049 Uiso 1 1 calc R U . . .
C44 C 0.45936(17) 0.80280(14) 0.60799(9) 0.0244(5) Uani 1 1 d . . . . .
H44 H 0.395171 0.782163 0.592583 0.029 Uiso 1 1 calc R U . . .
C12 C 0.43632(17) 0.79916(15) 0.88197(9) 0.0275(5) Uani 1 1 d . . . . .
H12 H 0.387083 0.790750 0.905667 0.033 Uiso 1 1 calc R U . . .
C54 C 0.56619(18) 0.95989(15) 0.38744(9) 0.0275(5) Uani 1 1 d . . . . .
H54 H 0.632852 0.972843 0.403584 0.033 Uiso 1 1 calc R U . . .
C14 C 0.30642(19) 0.7445(2) 0.80390(10) 0.0380(6) Uani 1 1 d . . . . .
C34 C 1.21517(18) 0.82621(15) 1.09256(9) 0.0288(5) Uani 1 1 d . . . . .
H34 H 1.248996 0.831676 1.129043 0.035 Uiso 1 1 calc R U . . .
C16 C 0.65727(19) 0.59418(19) 1.02724(10) 0.0365(6) Uani 1 1 d . . . . .
C22 C 0.63020(17) 0.56729(15) 0.92655(9) 0.0260(5) Uani 1 1 d . . . . .
C17 C 0.64415(19) 0.50496(19) 1.03725(10) 0.0398(6) Uani 1 1 d . . . . .
C2 C 0.59613(18) 0.92185(16) 1.07654(9) 0.0304(5) Uani 1 1 d . . . . .
C7 C 0.5134(2) 0.86572(19) 1.05889(10) 0.0422(7) Uani 1 1 d . . . . .
H7A H 0.473515 0.845543 1.085154 0.051 Uiso 1 1 calc R U . . .
C28 C 0.5033(2) 0.53338(15) 0.72076(9) 0.0310(5) Uani 1 1 d . . . . .
C23 C 0.61648(19) 0.47794(16) 0.93734(10) 0.0331(5) Uani 1 1 d . . . . .
H23 H 0.602346 0.439466 0.907527 0.040 Uiso 1 1 calc R U . . .
C45 C 0.51969(17) 0.84702(13) 0.57440(8) 0.0221(4) Uani 1 1 d . . . . .
C9 C 0.55029(16) 0.86925(14) 0.96336(8) 0.0227(4) Uani 1 1 d . . . . .
C5 C 0.7616(2) 1.03376(16) 1.10755(10) 0.0359(6) Uani 1 1 d . . . . .
H5 H 0.816243 1.071133 1.118137 0.043 Uiso 1 1 calc R U . . .
C6 C 0.7042(2) 1.00200(17) 1.14825(10) 0.0394(6) Uani 1 1 d . . . . .
H6 H 0.721753 1.017640 1.185721 0.047 Uiso 1 1 calc R U . . .
C8 C 0.49053(19) 0.84025(18) 1.00416(10) 0.0368(6) Uani 1 1 d . . . . .
H8 H 0.435190 0.803536 0.993652 0.044 Uiso 1 1 calc R U . . .
C1 C 0.6231(2) 0.94854(18) 1.13304(10) 0.0408(6) Uani 1 1 d . . . . .
H1 H 0.584642 0.929150 1.160192 0.049 Uiso 1 1 calc R U . . .
C15 C 0.6752(2) 0.6525(2) 1.07301(11) 0.0520(8) Uani 1 1 d . . . . .
H15 H 0.683035 0.711350 1.066772 0.062 Uiso 1 1 calc R U . . .
C18 C 0.6504(2) 0.4759(2) 1.09420(11) 0.0550(9) Uani 1 1 d . . . . .
H18 H 0.641401 0.417616 1.101641 0.066 Uiso 1 1 calc R U . . .
C20 C 0.6810(2) 0.6205(3) 1.12735(12) 0.0655(11) Uani 1 1 d . . . . .
H20 H 0.692806 0.658313 1.157649 0.079 Uiso 1 1 calc R U . . .
C19 C 0.6692(2) 0.5323(3) 1.13705(12) 0.0663(11) Uani 1 1 d . . . . .
H19 H 0.674396 0.512192 1.173791 0.080 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
C42 F7 1.322(2) . ?
C42 F9 1.330(3) . ?
C42 F8 1.343(3) . ?
C42 C41 1.526(3) . ?
Gd1 O2 2.3501(15) . ?
Gd1 O3 2.3596(14) . ?
Gd1 O6 2.3654(14) . ?
Gd1 O5 2.3658(14) . ?
Gd1 O1 2.3761(13) . ?
Gd1 O4 2.3801(15) . ?
Gd1 O7 2.4119(16) . ?
Gd1 N1 2.5875(16) . ?
C41 O6 1.265(2) . ?
C41 C40 1.377(3) . ?
F5 C28 1.332(3) . ?
O5 C39 1.250(2) . ?
C43 N1 1.341(3) . ?
C43 C44 1.386(3) . ?
F6 C28 1.338(3) . ?
C13 O2 1.270(2) . ?
C13 C12 1.375(3) . ?
C13 C14 1.529(3) . ?
N1 C47 1.344(3) . ?
C3 C10 1.411(3) . ?
C3 C4 1.418(3) . ?
C3 C2 1.420(3) . ?
O1 C11 1.249(2) . ?
O3 C25 1.259(3) . ?
C25 C26 1.409(3) . ?
C25 C22 1.499(3) . ?
O7 C55 1.434(3) . ?
O4 C27 1.259(2) . ?
C38 C37 1.370(3) . ?
C38 C31 1.420(3) . ?
C46 C47 1.383(3) . ?
C46 C45 1.392(3) . ?
F1 C14 1.332(3) . ?
F3 C14 1.320(3) . ?
C51 C52 1.385(3) . ?
C51 C50 1.397(3) . ?
F2 C14 1.313(3) . ?
C37 C36 1.419(3) . ?
C37 C39 1.493(3) . ?
C31 C32 1.414(3) . ?
C31 C30 1.420(3) . ?
C11 C12 1.422(3) . ?
C11 C9 1.500(3) . ?
F4 C28 1.330(3) . ?
C39 C40 1.420(3) . ?
C33 C32 1.371(3) . ?
C33 C34 1.410(3) . ?
N2 C53 1.327(3) . ?
N2 C52 1.341(3) . ?
C21 C22 1.369(3) . ?
C21 C16 1.423(3) . ?
C53 C54 1.384(3) . ?
C4 C5 1.366(3) . ?
C27 C26 1.385(3) . ?
C27 C28 1.529(3) . ?
C50 C54 1.389(3) . ?
C50 C49 1.472(3) . ?
C29 C34 1.359(3) . ?
C29 C30 1.422(3) . ?
C35 C36 1.370(3) . ?
C35 C30 1.413(3) . ?
C10 C9 1.367(3) . ?
C49 C48 1.327(3) . ?
C48 C45 1.471(3) . ?
C24 C23 1.367(3) . ?
C24 C17 1.405(4) . ?
C44 C45 1.389(3) . ?
C16 C17 1.415(4) . ?
C16 C15 1.417(4) . ?
C22 C23 1.422(3) . ?
C17 C18 1.432(3) . ?
C2 C7 1.410(3) . ?
C2 C1 1.416(3) . ?
C7 C8 1.366(3) . ?
C9 C8 1.413(3) . ?
C5 C6 1.406(3) . ?
C6 C1 1.359(4) . ?
C15 C20 1.389(4) . ?
C18 C19 1.346(5) . ?
C20 C19 1.395(5) . ?

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
F7 C42 F9 107.06(18) . . ?
F7 C42 F8 106.76(18) . . ?
F9 C42 F8 105.27(17) . . ?
F7 C42 C41 114.89(17) . . ?
F9 C42 C41 111.41(17) . . ?
F8 C42 C41 110.89(18) . . ?
O2 Gd1 O3 85.77(5) . . ?
O2 Gd1 O6 146.21(5) . . ?
O3 Gd1 O6 105.18(5) . . ?
O2 Gd1 O5 142.44(5) . . ?
O3 Gd1 O5 75.39(5) . . ?
O6 Gd1 O5 71.07(5) . . ?
O2 Gd1 O1 70.93(5) . . ?
O3 Gd1 O1 73.75(5) . . ?
O6 Gd1 O1 142.64(5) . . ?
O5 Gd1 O1 72.70(5) . . ?
O2 Gd1 O4 74.80(5) . . ?
O3 Gd1 O4 70.84(5) . . ?
O6 Gd1 O4 78.83(5) . . ?
O5 Gd1 O4 126.18(5) . . ?
O1 Gd1 O4 131.78(5) . . ?
O2 Gd1 O7 98.13(6) . . ?
O3 Gd1 O7 143.93(5) . . ?
O6 Gd1 O7 91.37(5) . . ?
O5 Gd1 O7 80.30(5) . . ?
O1 Gd1 O7 73.80(5) . . ?
O4 Gd1 O7 144.86(5) . . ?
O2 Gd1 N1 76.80(5) . . ?
O3 Gd1 N1 142.91(5) . . ?
O6 Gd1 N1 75.57(5) . . ?
O5 Gd1 N1 135.49(5) . . ?
O1 Gd1 N1 128.08(5) . . ?
O4 Gd1 N1 73.07(5) . . ?
O7 Gd1 N1 71.81(5) . . ?
O6 C41 C40 129.57(18) . . ?
O6 C41 C42 112.89(17) . . ?
C40 C41 C42 117.54(18) . . ?
C39 O5 Gd1 139.78(12) . . ?
N1 C43 C44 123.2(2) . . ?
O2 C13 C12 129.0(2) . . ?
O2 C13 C14 112.12(18) . . ?
C12 C13 C14 118.89(19) . . ?
C43 N1 C47 116.58(17) . . ?
C43 N1 Gd1 122.46(13) . . ?
C47 N1 Gd1 120.89(13) . . ?
C10 C3 C4 122.35(19) . . ?
C10 C3 C2 119.1(2) . . ?
C4 C3 C2 118.6(2) . . ?
C13 O2 Gd1 132.67(14) . . ?
C11 O1 Gd1 135.58(14) . . ?
C41 O6 Gd1 134.54(12) . . ?
C25 O3 Gd1 136.41(14) . . ?
O3 C25 C26 123.06(19) . . ?
O3 C25 C22 116.5(2) . . ?
C26 C25 C22 120.39(19) . . ?
C55 O7 Gd1 125.92(13) . . ?
C27 O4 Gd1 129.06(12) . . ?
C37 C38 C31 121.35(18) . . ?
C47 C46 C45 119.74(19) . . ?
C52 C51 C50 119.2(2) . . ?
C38 C37 C36 119.40(18) . . ?
C38 C37 C39 122.09(18) . . ?
C36 C37 C39 118.38(18) . . ?
C32 C31 C38 121.96(18) . . ?
C32 C31 C30 119.08(18) . . ?
C38 C31 C30 118.87(19) . . ?
O1 C11 C12 122.83(18) . . ?
O1 C11 C9 116.77(19) . . ?
C12 C11 C9 120.39(18) . . ?
O5 C39 C40 123.13(18) . . ?
O5 C39 C37 116.84(17) . . ?
C40 C39 C37 120.02(18) . . ?
C32 C33 C34 120.1(2) . . ?
C41 C40 C39 121.25(18) . . ?
C53 N2 C52 116.89(18) . . ?
C22 C21 C16 121.2(2) . . ?
N2 C53 C54 123.6(2) . . ?
C5 C4 C3 120.9(2) . . ?
O4 C27 C26 128.7(2) . . ?
O4 C27 C28 112.98(18) . . ?
C26 C27 C28 118.34(19) . . ?
C54 C50 C51 116.95(19) . . ?
C54 C50 C49 119.1(2) . . ?
C51 C50 C49 124.0(2) . . ?
C34 C29 C30 121.0(2) . . ?
C27 C26 C25 121.8(2) . . ?
C33 C32 C31 120.8(2) . . ?
C36 C35 C30 121.2(2) . . ?
C9 C10 C3 121.84(19) . . ?
C48 C49 C50 127.2(2) . . ?
N1 C47 C46 123.6(2) . . ?
C35 C36 C37 120.4(2) . . ?
C35 C30 C31 118.73(18) . . ?
C35 C30 C29 122.6(2) . . ?
C31 C30 C29 118.6(2) . . ?
C49 C48 C45 124.7(2) . . ?
N2 C52 C51 123.6(2) . . ?
C23 C24 C17 121.2(3) . . ?
C43 C44 C45 120.1(2) . . ?
C13 C12 C11 121.59(19) . . ?
C53 C54 C50 119.7(2) . . ?
F2 C14 F3 106.9(2) . . ?
F2 C14 F1 106.1(2) . . ?
F3 C14 F1 106.7(2) . . ?
F2 C14 C13 112.1(2) . . ?
F3 C14 C13 110.4(2) . . ?
F1 C14 C13 114.12(19) . . ?
C29 C34 C33 120.4(2) . . ?
C17 C16 C15 120.0(2) . . ?
C17 C16 C21 118.7(2) . . ?
C15 C16 C21 121.3(3) . . ?
C21 C22 C23 119.4(2) . . ?
C21 C22 C25 118.2(2) . . ?
C23 C22 C25 122.4(2) . . ?
C24 C17 C16 119.2(2) . . ?
C24 C17 C18 122.3(3) . . ?
C16 C17 C18 118.4(3) . . ?
C7 C2 C1 123.2(2) . . ?
C7 C2 C3 118.1(2) . . ?
C1 C2 C3 118.8(2) . . ?
C8 C7 C2 121.6(2) . . ?
F4 C28 F5 106.13(19) . . ?
F4 C28 F6 107.1(2) . . ?
F5 C28 F6 106.56(18) . . ?
F4 C28 C27 111.02(19) . . ?
F5 C28 C27 111.4(2) . . ?
F6 C28 C27 114.17(18) . . ?
C24 C23 C22 120.3(2) . . ?
C44 C45 C46 116.67(18) . . ?
C44 C45 C48 119.9(2) . . ?
C46 C45 C48 123.39(19) . . ?
C10 C9 C8 118.9(2) . . ?
C10 C9 C11 119.15(18) . . ?
C8 C9 C11 121.9(2) . . ?
C4 C5 C6 120.4(2) . . ?
C1 C6 C5 120.2(2) . . ?
C7 C8 C9 120.5(2) . . ?
C6 C1 C2 121.1(2) . . ?
C20 C15 C16 119.0(3) . . ?
C19 C18 C17 120.5(3) . . ?
C15 C20 C19 120.8(3) . . ?
C18 C19 C20 121.2(3) . . ?

_refine_diff_density_max         0.511
_refine_diff_density_min         -0.495
_refine_diff_density_rms         0.067

