# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_1Dy
_database_code_depnum_ccdc_archive 'CCDC 1890605'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Sun'
;Heilongjiang University
China
;
_audit_update_record             
;
2019-02-19 deposited with the CCDC.	2019-02-25 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            'C70 H46 Dy2 F18 N2 O14'
_chemical_formula_weight         1806.09

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/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                   14.9410(6)
_cell_length_b                   14.3461(12)
_cell_length_c                   17.1220(8)
_cell_angle_alpha                90
_cell_angle_beta                 101.175(4)
_cell_angle_gamma                90
_cell_volume                     3600.4(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    8740
_cell_measurement_theta_min      3.0818
_cell_measurement_theta_max      29.6503

_exptl_crystal_description       block
_exptl_crystal_colour            'clear whiteish white'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.666
_exptl_crystal_F_000             1772
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.2
_exptl_absorpt_coefficient_mu    2.169
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.61547
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            33723
_diffrn_reflns_av_unetI/netI     0.0298
_diffrn_reflns_av_R_equivalents  0.0277
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         3.088
_diffrn_reflns_theta_max         29.716
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.918
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.918
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             9389
_reflns_number_gt                6642
_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    'SIR2004 (Burla et al., 2007)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0190P)²+6.1860P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9389
_refine_ls_number_parameters     478
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0753
_refine_ls_R_factor_gt           0.0425
_refine_ls_wR_factor_ref         0.0892
_refine_ls_wR_factor_gt          0.0745
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_restrained_S_all      1.118
_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
Dy01 Dy 0.54592(2) 0.52005(2) 0.39593(2) 0.04966(7) Uani 1 1 d . . . . .
O7 O 0.58097(16) 0.4978(2) 0.53681(16) 0.0521(7) Uani 1 1 d . . . . .
O1 O 0.67190(17) 0.4191(2) 0.41026(17) 0.0533(7) Uani 1 1 d . . . . .
O6 O 0.5011(2) 0.6738(2) 0.4137(2) 0.0749(9) Uani 1 1 d . . . . .
O5 O 0.67483(19) 0.6126(2) 0.4288(2) 0.0652(8) Uani 1 1 d . . . . .
N1 N 0.6675(2) 0.4981(3) 0.5780(2) 0.0559(10) Uani 1 1 d . . . . .
O4 O 0.4221(2) 0.5470(3) 0.29196(18) 0.0759(10) Uani 1 1 d . . . . .
O3 O 0.6005(2) 0.5309(3) 0.27912(19) 0.0733(9) Uani 1 1 d . . . . .
O2 O 0.49237(19) 0.3710(2) 0.3645(2) 0.0699(9) Uani 1 1 d . . . . .
C4 C 0.6872(3) 0.3503(3) 0.3698(2) 0.0487(9) Uani 1 1 d . . . . .
F1 F 0.4139(3) 0.2014(3) 0.3665(3) 0.161(2) Uani 1 1 d . . . . .
F2 F 0.4933(3) 0.1487(3) 0.2859(3) 0.163(2) Uani 1 1 d . . . . .
C5 C 0.7827(3) 0.3364(3) 0.3590(3) 0.0519(10) Uani 1 1 d . . . . .
C31 C 0.7121(3) 0.4176(4) 0.5884(3) 0.0750(15) Uani 1 1 d . . . . .
H31 H 0.6840 0.3624 0.5685 0.090 Uiso 1 1 calc R U . . .
C14 C 0.5731(3) 0.5460(3) 0.2068(3) 0.0621(12) Uani 1 1 d . . . . .
F3 F 0.3977(3) 0.2528(4) 0.2517(3) 0.160(2) Uani 1 1 d . . . . .
C25 C 0.7928(3) 0.7173(3) 0.4237(3) 0.0593(11) Uani 1 1 d . . . . .
C23 C 0.6329(4) 0.7676(3) 0.4316(3) 0.0764(15) Uani 1 1 d . . . . .
H23 H 0.6533 0.8288 0.4388 0.092 Uiso 1 1 calc R U . . .
C30 C 0.8308(4) 0.8047(4) 0.4335(3) 0.0760(14) Uani 1 1 d . . . . .
H30 H 0.7969 0.8543 0.4473 0.091 Uiso 1 1 calc R U . . .
C22 C 0.5413(4) 0.7499(4) 0.4235(3) 0.0730(14) Uani 1 1 d . . . . .
C15 C 0.6440(3) 0.5505(3) 0.1576(3) 0.0676(13) Uani 1 1 d . . . . .
C12 C 0.4150(3) 0.5599(4) 0.2187(3) 0.0721(14) Uani 1 1 d . . . . .
C3 C 0.6184(3) 0.2872(3) 0.3363(3) 0.0671(13) Uani 1 1 d . . . . .
H3 H 0.6345 0.2344 0.3107 0.081 Uiso 1 1 calc R U . . .
C24 C 0.6962(3) 0.6968(3) 0.4294(2) 0.0564(10) Uani 1 1 d . . . . .
C10 C 0.8524(3) 0.3776(4) 0.4116(3) 0.0782(15) Uani 1 1 d . . . . .
H10 H 0.8398 0.4120 0.4542 0.094 Uiso 1 1 calc R U . . .
C35 C 0.7037(3) 0.5782(4) 0.6068(3) 0.0748(14) Uani 1 1 d . . . . .
H35 H 0.6699 0.6330 0.5991 0.090 Uiso 1 1 calc R U . . .
C2 C 0.5290(3) 0.3006(3) 0.3400(3) 0.0658(12) Uani 1 1 d . . . . .
C13 C 0.4806(3) 0.5598(4) 0.1740(3) 0.0773(15) Uani 1 1 d . . . . .
H13 H 0.4636 0.5693 0.1194 0.093 Uiso 1 1 calc R U . . .
C34 C 0.7927(4) 0.5787(6) 0.6487(4) 0.105(2) Uani 1 1 d . . . . .
H34 H 0.8194 0.6343 0.6693 0.126 Uiso 1 1 calc R U . . .
C20 C 0.7307(4) 0.5210(4) 0.1894(3) 0.0741(13) Uani 1 1 d . . . . .
H20 H 0.7436 0.4986 0.2414 0.089 Uiso 1 1 calc R U . . .
C26 C 0.8439(3) 0.6464(4) 0.4031(4) 0.0905(18) Uani 1 1 d . . . . .
H26 H 0.8191 0.5868 0.3959 0.109 Uiso 1 1 calc R U . . .
F9 F 0.4132(4) 0.8188(3) 0.4585(4) 0.194(3) Uani 1 1 d . . . . .
C6 C 0.8027(3) 0.2869(3) 0.2957(3) 0.0699(13) Uani 1 1 d . . . . .
H6 H 0.7560 0.2583 0.2599 0.084 Uiso 1 1 calc R U . . .
C1 C 0.4598(4) 0.2233(5) 0.3112(5) 0.104(2) Uani 1 1 d . . . . .
C32 C 0.8019(4) 0.4180(6) 0.6299(4) 0.098(2) Uani 1 1 d . . . . .
H32 H 0.8351 0.3628 0.6371 0.118 Uiso 1 1 calc R U . . .
F8 F 0.5141(4) 0.9099(4) 0.4472(5) 0.220(3) Uani 1 1 d . . . . .
C8 C 0.9598(4) 0.3193(5) 0.3375(5) 0.102(2) Uani 1 1 d . . . . .
H8 H 1.0196 0.3135 0.3302 0.123 Uiso 1 1 calc R U . . .
F6 F 0.2621(4) 0.5183(8) 0.1868(5) 0.256(5) Uani 1 1 d . . . . .
C19 C 0.8000(4) 0.5239(4) 0.1454(4) 0.0909(18) Uani 1 1 d . . . . .
H19 H 0.8583 0.5033 0.1678 0.109 Uiso 1 1 calc R U . . .
C16 C 0.6278(4) 0.5846(4) 0.0799(3) 0.0918(18) Uani 1 1 d . . . . .
H16 H 0.5698 0.6055 0.0567 0.110 Uiso 1 1 calc R U . . .
C29 C 0.9191(4) 0.8193(5) 0.4229(4) 0.101(2) Uani 1 1 d . . . . .
H29 H 0.9444 0.8787 0.4298 0.121 Uiso 1 1 calc R U . . .
F4 F 0.2853(5) 0.6498(7) 0.2113(4) 0.236(4) Uani 1 1 d . . . . .
C33 C 0.8407(4) 0.4986(7) 0.6597(4) 0.115(3) Uani 1 1 d . . . . .
H33 H 0.9005 0.4989 0.6878 0.138 Uiso 1 1 calc R U . . .
C27 C 0.9315(4) 0.6614(6) 0.3928(5) 0.130(3) Uani 1 1 d . . . . .
H27 H 0.9656 0.6121 0.3790 0.156 Uiso 1 1 calc R U . . .
C7 C 0.8912(4) 0.2796(4) 0.2852(4) 0.0885(17) Uani 1 1 d . . . . .
H7 H 0.9040 0.2469 0.2417 0.106 Uiso 1 1 calc R U . . .
C21 C 0.4754(6) 0.8321(5) 0.4192(6) 0.116(3) Uani 1 1 d . . . . .
C28 C 0.9689(5) 0.7482(6) 0.4029(5) 0.124(3) Uani 1 1 d . . . . .
H28 H 1.0283 0.7582 0.3959 0.149 Uiso 1 1 calc R U . . .
C9 C 0.9415(4) 0.3681(5) 0.4011(4) 0.105(2) Uani 1 1 d . . . . .
H9 H 0.9889 0.3949 0.4374 0.126 Uiso 1 1 calc R U . . .
C18 C 0.7817(5) 0.5572(5) 0.0697(5) 0.107(2) Uani 1 1 d . . . . .
H18 H 0.8277 0.5591 0.0402 0.129 Uiso 1 1 calc R U . . .
C11 C 0.3175(5) 0.5798(10) 0.1762(4) 0.140(4) Uani 1 1 d . . . . .
F5 F 0.3057(3) 0.5992(6) 0.1042(3) 0.232(4) Uani 1 1 d . . . . .
F7 F 0.4350(5) 0.8492(5) 0.3483(4) 0.243(4) Uani 1 1 d . . . . .
C17 C 0.6971(6) 0.5875(5) 0.0371(4) 0.116(2) Uani 1 1 d . . . . .
H17 H 0.6854 0.6105 -0.0147 0.140 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
Dy01 O3 2.307(3) . ?
Dy01 O2 2.310(3) . ?
Dy01 O5 2.318(3) . ?
Dy01 O4 2.337(3) . ?
Dy01 O6 2.343(3) . ?
Dy01 O1 2.350(3) . ?
Dy01 O7 2.388(3) . ?
Dy01 O7 2.415(2) 3_666 ?
O7 N1 1.348(4) . ?
O7 Dy01 2.415(2) 3_666 ?
O1 C4 1.253(5) . ?
O6 C22 1.241(6) . ?
O5 C24 1.248(5) . ?
N1 C35 1.324(6) . ?
N1 C31 1.327(6) . ?
O4 C12 1.252(5) . ?
O3 C14 1.245(5) . ?
O2 C2 1.258(5) . ?
C4 C3 1.405(6) . ?
C4 C5 1.488(5) . ?
F1 C1 1.311(8) . ?
F2 C1 1.291(7) . ?
C5 C10 1.371(6) . ?
C5 C6 1.377(6) . ?
C31 C32 1.392(7) . ?
C31 H31 0.9300 . ?
C14 C13 1.401(6) . ?
C14 C15 1.478(6) . ?
F3 C1 1.308(9) . ?
C25 C26 1.358(7) . ?
C25 C30 1.373(6) . ?
C25 C24 1.494(6) . ?
C23 C22 1.372(7) . ?
C23 C24 1.395(6) . ?
C23 H23 0.9300 . ?
C30 C29 1.382(8) . ?
C30 H30 0.9300 . ?
C22 C21 1.529(8) . ?
C15 C20 1.371(7) . ?
C15 C16 1.394(7) . ?
C12 C13 1.357(6) . ?
C12 C11 1.523(8) . ?
C3 C2 1.364(6) . ?
C3 H3 0.9300 . ?
C10 C9 1.384(7) . ?
C10 H10 0.9300 . ?
C35 C34 1.383(7) . ?
C35 H35 0.9300 . ?
C2 C1 1.531(7) . ?
C13 H13 0.9300 . ?
C34 C33 1.349(10) . ?
C34 H34 0.9300 . ?
C20 C19 1.394(7) . ?
C20 H20 0.9300 . ?
C26 C27 1.372(7) . ?
C26 H26 0.9300 . ?
F9 C21 1.264(8) . ?
C6 C7 1.372(7) . ?
C6 H6 0.9300 . ?
C32 C33 1.347(10) . ?
C32 H32 0.9300 . ?
F8 C21 1.304(9) . ?
C8 C7 1.350(8) . ?
C8 C9 1.366(8) . ?
C8 H8 0.9300 . ?
F6 C11 1.249(13) . ?
C19 C18 1.358(9) . ?
C19 H19 0.9300 . ?
C16 C17 1.380(8) . ?
C16 H16 0.9300 . ?
C29 C28 1.345(9) . ?
C29 H29 0.9300 . ?
F4 C11 1.309(12) . ?
C33 H33 0.9300 . ?
C27 C28 1.361(10) . ?
C27 H27 0.9300 . ?
C7 H7 0.9300 . ?
C21 F7 1.271(10) . ?
C28 H28 0.9300 . ?
C9 H9 0.9300 . ?
C18 C17 1.352(9) . ?
C18 H18 0.9300 . ?
C11 F5 1.242(7) . ?
C17 H17 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
O3 Dy01 O2 91.44(13) . . ?
O3 Dy01 O5 75.84(12) . . ?
O2 Dy01 O5 145.21(10) . . ?
O3 Dy01 O4 71.87(11) . . ?
O2 Dy01 O4 77.81(13) . . ?
O5 Dy01 O4 126.00(12) . . ?
O3 Dy01 O6 101.97(13) . . ?
O2 Dy01 O6 143.82(11) . . ?
O5 Dy01 O6 70.96(11) . . ?
O4 Dy01 O6 74.87(13) . . ?
O3 Dy01 O1 73.84(11) . . ?
O2 Dy01 O1 71.82(10) . . ?
O5 Dy01 O1 73.55(10) . . ?
O4 Dy01 O1 132.94(11) . . ?
O6 Dy01 O1 144.14(11) . . ?
O3 Dy01 O7 147.09(9) . . ?
O2 Dy01 O7 96.30(11) . . ?
O5 Dy01 O7 79.74(10) . . ?
O4 Dy01 O7 141.04(9) . . ?
O6 Dy01 O7 90.38(11) . . ?
O1 Dy01 O7 78.33(9) . . ?
O3 Dy01 O7 149.61(10) . 3_666 ?
O2 Dy01 O7 75.19(10) . 3_666 ?
O5 Dy01 O7 129.58(10) . 3_666 ?
O4 Dy01 O7 78.60(9) . 3_666 ?
O6 Dy01 O7 76.52(11) . 3_666 ?
O1 Dy01 O7 124.87(10) . 3_666 ?
O7 Dy01 O7 62.80(10) . 3_666 ?
N1 O7 Dy01 121.9(2) . . ?
N1 O7 Dy01 120.9(2) . 3_666 ?
Dy01 O7 Dy01 117.20(10) . 3_666 ?
C4 O1 Dy01 131.0(2) . . ?
C22 O6 Dy01 134.6(3) . . ?
C24 O5 Dy01 139.1(3) . . ?
C35 N1 C31 123.2(4) . . ?
C35 N1 O7 118.6(4) . . ?
C31 N1 O7 118.3(4) . . ?
C12 O4 Dy01 133.6(3) . . ?
C14 O3 Dy01 140.4(3) . . ?
C2 O2 Dy01 131.8(3) . . ?
O1 C4 C3 122.5(4) . . ?
O1 C4 C5 117.1(4) . . ?
C3 C4 C5 120.4(4) . . ?
C10 C5 C6 119.1(4) . . ?
C10 C5 C4 119.1(4) . . ?
C6 C5 C4 121.7(4) . . ?
N1 C31 C32 118.3(6) . . ?
N1 C31 H31 120.9 . . ?
C32 C31 H31 120.9 . . ?
O3 C14 C13 122.1(4) . . ?
O3 C14 C15 116.2(4) . . ?
C13 C14 C15 121.7(4) . . ?
C26 C25 C30 118.4(5) . . ?
C26 C25 C24 117.9(4) . . ?
C30 C25 C24 123.6(5) . . ?
C22 C23 C24 122.1(5) . . ?
C22 C23 H23 119.0 . . ?
C24 C23 H23 119.0 . . ?
C25 C30 C29 120.3(6) . . ?
C25 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
O6 C22 C23 128.6(5) . . ?
O6 C22 C21 112.4(5) . . ?
C23 C22 C21 118.8(5) . . ?
C20 C15 C16 117.6(5) . . ?
C20 C15 C14 119.1(5) . . ?
C16 C15 C14 123.3(5) . . ?
O4 C12 C13 129.4(4) . . ?
O4 C12 C11 113.3(4) . . ?
C13 C12 C11 117.3(5) . . ?
C2 C3 C4 122.3(4) . . ?
C2 C3 H3 118.8 . . ?
C4 C3 H3 118.8 . . ?
O5 C24 C23 122.0(4) . . ?
O5 C24 C25 116.1(4) . . ?
C23 C24 C25 121.8(4) . . ?
C5 C10 C9 119.9(5) . . ?
C5 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
N1 C35 C34 118.7(6) . . ?
N1 C35 H35 120.6 . . ?
C34 C35 H35 120.6 . . ?
O2 C2 C3 128.5(4) . . ?
O2 C2 C1 112.3(4) . . ?
C3 C2 C1 119.2(5) . . ?
C12 C13 C14 122.6(4) . . ?
C12 C13 H13 118.7 . . ?
C14 C13 H13 118.7 . . ?
C33 C34 C35 119.9(7) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C15 C20 C19 121.3(6) . . ?
C15 C20 H20 119.4 . . ?
C19 C20 H20 119.4 . . ?
C25 C26 C27 120.9(6) . . ?
C25 C26 H26 119.5 . . ?
C27 C26 H26 119.5 . . ?
C7 C6 C5 120.3(5) . . ?
C7 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
F2 C1 F3 105.7(6) . . ?
F2 C1 F1 109.6(7) . . ?
F3 C1 F1 104.3(6) . . ?
F2 C1 C2 115.3(5) . . ?
F3 C1 C2 110.4(6) . . ?
F1 C1 C2 110.8(6) . . ?
C33 C32 C31 119.9(6) . . ?
C33 C32 H32 120.1 . . ?
C31 C32 H32 120.1 . . ?
C7 C8 C9 120.1(5) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 H8 120.0 . . ?
C18 C19 C20 119.6(6) . . ?
C18 C19 H19 120.2 . . ?
C20 C19 H19 120.2 . . ?
C17 C16 C15 120.5(6) . . ?
C17 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
C28 C29 C30 120.5(6) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 H29 119.8 . . ?
C32 C33 C34 120.0(6) . . ?
C32 C33 H33 120.0 . . ?
C34 C33 H33 120.0 . . ?
C28 C27 C26 120.4(7) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C8 C7 C6 120.5(5) . . ?
C8 C7 H7 119.7 . . ?
C6 C7 H7 119.7 . . ?
F9 C21 F7 106.0(8) . . ?
F9 C21 F8 104.6(7) . . ?
F7 C21 F8 106.4(8) . . ?
F9 C21 C22 113.0(6) . . ?
F7 C21 C22 112.2(7) . . ?
F8 C21 C22 114.0(7) . . ?
C29 C28 C27 119.5(6) . . ?
C29 C28 H28 120.3 . . ?
C27 C28 H28 120.3 . . ?
C8 C9 C10 120.0(6) . . ?
C8 C9 H9 120.0 . . ?
C10 C9 H9 120.0 . . ?
C17 C18 C19 120.4(6) . . ?
C17 C18 H18 119.8 . . ?
C19 C18 H18 119.8 . . ?
F5 C11 F6 109.4(10) . . ?
F5 C11 F4 106.8(10) . . ?
F6 C11 F4 99.3(7) . . ?
F5 C11 C12 117.1(6) . . ?
F6 C11 C12 113.4(9) . . ?
F4 C11 C12 109.1(8) . . ?
C18 C17 C16 120.6(6) . . ?
C18 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?

_refine_diff_density_max         1.859
_refine_diff_density_min         -0.835
_refine_diff_density_rms         0.080

####################################################################### 
# 
# 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_1Y
_database_code_depnum_ccdc_archive 'CCDC 1890607'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Sun'
;Heilongjiang University
China
;
_audit_update_record             
;
2019-02-19 deposited with the CCDC.	2019-02-25 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            'C76 H60 F18 N2 O14 Y2'
_chemical_formula_weight         1745.08

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

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

_cell_length_a                   30.584(4)
_cell_length_b                   11.6402(14)
_cell_length_c                   23.067(3)
_cell_angle_alpha                90
_cell_angle_beta                 108.878(2)
_cell_angle_gamma                90
_cell_volume                     7770.3(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    7778
_cell_measurement_theta_min      2.667
_cell_measurement_theta_max      23.105

_exptl_crystal_description       block
_exptl_crystal_colour            'clear whiteish white'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_F_000             3528
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_exptl_absorpt_coefficient_mu    1.592
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4743
_exptl_absorpt_correction_T_max  0.7452
_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       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25297
_diffrn_reflns_av_unetI/netI     0.0382
_diffrn_reflns_av_R_equivalents  0.0340
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.488
_diffrn_reflns_theta_max         25.044
_diffrn_reflns_theta_full        25.044
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             6860
_reflns_number_gt                5144
_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.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0499P)²+6.2911P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6860
_refine_ls_number_parameters     478
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0594
_refine_ls_R_factor_gt           0.0409
_refine_ls_wR_factor_ref         0.1029
_refine_ls_wR_factor_gt          0.0970
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.041
_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
Y1 Y 0.68450(2) 0.31706(2) 0.47227(2) 0.04038(11) Uani 1 1 d . . . . .
O7 O 0.76356(6) 0.33334(15) 0.53601(9) 0.0440(5) Uani 1 1 d . . . . .
O6 O 0.64187(7) 0.15064(17) 0.47077(10) 0.0531(5) Uani 1 1 d . . . . .
O3 O 0.68625(7) 0.49958(18) 0.51285(10) 0.0539(5) Uani 1 1 d . . . . .
O2 O 0.65189(7) 0.26790(18) 0.37024(9) 0.0503(5) Uani 1 1 d . . . . .
O1 O 0.71784(7) 0.43083(18) 0.41446(9) 0.0548(5) Uani 1 1 d . . . . .
O4 O 0.60960(7) 0.37747(19) 0.44839(10) 0.0565(6) Uani 1 1 d . . . . .
O5 O 0.68183(8) 0.2825(2) 0.57084(9) 0.0593(6) Uani 1 1 d . . . . .
N1 N 0.77831(8) 0.4250(2) 0.57367(11) 0.0444(6) Uani 1 1 d . . . . .
F2 F 0.78675(9) 0.5299(3) 0.38409(14) 0.1226(10) Uani 1 1 d . . . . .
F4 F 0.70989(10) 0.7205(2) 0.53615(14) 0.1160(9) Uani 1 1 d . . . . .
F5 F 0.69255(11) 0.6565(2) 0.60931(13) 0.1278(11) Uani 1 1 d . . . . .
F1 F 0.74820(13) 0.5274(3) 0.29104(14) 0.1516(14) Uani 1 1 d . . . . .
C5 C 0.62931(10) 0.2152(3) 0.26718(12) 0.0460(7) Uani 1 1 d . . . . .
F7 F 0.65572(11) 0.3708(3) 0.66396(11) 0.1183(9) Uani 1 1 d . . . . .
C22 C 0.65263(11) 0.2312(3) 0.58908(14) 0.0524(8) Uani 1 1 d . . . . .
F6 F 0.64518(9) 0.7603(2) 0.54513(17) 0.1563(15) Uani 1 1 d . . . . .
C2 C 0.71427(10) 0.4373(3) 0.35879(14) 0.0489(7) Uani 1 1 d . . . . .
C4 C 0.65672(10) 0.2886(2) 0.31907(13) 0.0458(7) Uani 1 1 d . . . . .
F3 F 0.72921(11) 0.6322(2) 0.35174(18) 0.1421(12) Uani 1 1 d . . . . .
C25 C 0.58236(10) 0.0223(3) 0.46845(15) 0.0503(8) Uani 1 1 d . . . . .
C23 C 0.61923(11) 0.1548(3) 0.55823(15) 0.0569(8) Uani 1 1 d . . . . .
H23 H 0.5980 0.1292 0.5764 0.068 Uiso 1 1 calc R U . . .
C3 C 0.68716(11) 0.3730(3) 0.31094(14) 0.0536(8) Uani 1 1 d . . . . .
H3 H 0.6889 0.3856 0.2719 0.064 Uiso 1 1 calc R U . . .
F8 F 0.69721(12) 0.2282(4) 0.69275(11) 0.1577(15) Uani 1 1 d . . . . .
C1 C 0.74459(14) 0.5315(3) 0.34570(18) 0.0706(10) Uani 1 1 d . . . . .
C31 C 0.79474(11) 0.5165(3) 0.55303(16) 0.0576(8) Uani 1 1 d . . . . .
H31 H 0.7949 0.5191 0.5128 0.069 Uiso 1 1 calc R U . . .
C12 C 0.65568(10) 0.5693(3) 0.51494(14) 0.0500(7) Uani 1 1 d . . . . .
C24 C 0.61618(10) 0.1138(3) 0.49926(14) 0.0480(7) Uani 1 1 d . . . . .
C35 C 0.77527(11) 0.4197(3) 0.63008(14) 0.0543(8) Uani 1 1 d . . . . .
H35 H 0.7624 0.3558 0.6425 0.065 Uiso 1 1 calc R U . . .
F9 F 0.62512(14) 0.2181(3) 0.67455(13) 0.1637(16) Uani 1 1 d . . . . .
C15 C 0.53590(11) 0.4545(3) 0.43134(15) 0.0559(8) Uani 1 1 d . . . . .
C6 C 0.64377(11) 0.1889(3) 0.21795(14) 0.0576(8) Uani 1 1 d . . . . .
H6 H 0.6697 0.2251 0.2139 0.069 Uiso 1 1 calc R U . . .
C30 C 0.57514(13) 0.0005(3) 0.40698(16) 0.0674(10) Uani 1 1 d . . . . .
H30 H 0.5913 0.0428 0.3863 0.081 Uiso 1 1 calc R U . . .
C14 C 0.58721(10) 0.4616(3) 0.45727(14) 0.0507(8) Uani 1 1 d . . . . .
C21 C 0.65769(15) 0.2600(4) 0.65549(18) 0.0756(11) Uani 1 1 d . . . . .
C34 C 0.79157(14) 0.5103(3) 0.66943(16) 0.0718(11) Uani 1 1 d . . . . .
H34 H 0.7898 0.5081 0.7089 0.086 Uiso 1 1 calc R U . . .
C7 C 0.62015(13) 0.1093(3) 0.17461(15) 0.0713(10) Uani 1 1 d . . . . .
H7 H 0.6308 0.0904 0.1423 0.086 Uiso 1 1 calc R U . . .
C9 C 0.56532(14) 0.0867(4) 0.22655(17) 0.0856(13) Uani 1 1 d . . . . .
H9 H 0.5382 0.0540 0.2289 0.103 Uiso 1 1 calc R U . . .
C26 C 0.55783(12) -0.0423(3) 0.49746(18) 0.0660(9) Uani 1 1 d . . . . .
H26 H 0.5621 -0.0298 0.5388 0.079 Uiso 1 1 calc R U . . .
C8 C 0.58126(14) 0.0587(3) 0.17939(17) 0.0796(11) Uani 1 1 d . . . . .
H8 H 0.5655 0.0048 0.1504 0.095 Uiso 1 1 calc R U . . .
C28 C 0.52045(14) -0.1444(4) 0.4059(2) 0.0849(12) Uani 1 1 d . . . . .
H28 H 0.4995 -0.2000 0.3849 0.102 Uiso 1 1 calc R U . . .
C29 C 0.54462(15) -0.0822(4) 0.3761(2) 0.0866(12) Uani 1 1 d . . . . .
H29 H 0.5403 -0.0961 0.3349 0.104 Uiso 1 1 calc R U . . .
C32 C 0.81160(13) 0.6074(3) 0.5923(2) 0.0749(11) Uani 1 1 d . . . . .
H32 H 0.8238 0.6715 0.5789 0.090 Uiso 1 1 calc R U . . .
C11 C 0.67504(13) 0.6777(3) 0.5509(2) 0.0737(11) Uani 1 1 d . . . . .
C10 C 0.58955(12) 0.1634(3) 0.27050(15) 0.0661(10) Uani 1 1 d . . . . .
H10 H 0.5790 0.1807 0.3031 0.079 Uiso 1 1 calc R U . . .
C33 C 0.81031(14) 0.6030(4) 0.65053(19) 0.0802(12) Uani 1 1 d . . . . .
H33 H 0.8222 0.6633 0.6774 0.096 Uiso 1 1 calc R U . . .
C13 C 0.60896(11) 0.5590(3) 0.49027(17) 0.0646(9) Uani 1 1 d . . . . .
H13 H 0.5906 0.6191 0.4955 0.077 Uiso 1 1 calc R U . . .
C27 C 0.52706(14) -0.1250(3) 0.4662(2) 0.0826(12) Uani 1 1 d . . . . .
H27 H 0.5108 -0.1678 0.4865 0.099 Uiso 1 1 calc R U . . .
C20 C 0.50705(12) 0.5441(3) 0.43370(18) 0.0726(10) Uani 1 1 d . . . . .
H20 H 0.5198 0.6126 0.4523 0.087 Uiso 1 1 calc R U . . .
C16 C 0.51541(13) 0.3537(4) 0.4039(2) 0.0938(14) Uani 1 1 d . . . . .
H16 H 0.5336 0.2910 0.4015 0.113 Uiso 1 1 calc R U . . .
C19 C 0.45979(13) 0.5345(4) 0.4092(2) 0.0900(13) Uani 1 1 d . . . . .
H19 H 0.4410 0.5960 0.4116 0.108 Uiso 1 1 calc R U . . .
C18 C 0.44081(14) 0.4368(5) 0.3821(2) 0.1024(15) Uani 1 1 d . . . . .
H18 H 0.4089 0.4311 0.3647 0.123 Uiso 1 1 calc R U . . .
C17 C 0.46801(16) 0.3465(5) 0.3801(3) 0.125(2) Uani 1 1 d . . . . .
H17 H 0.4544 0.2781 0.3622 0.150 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
Y1 O4 2.287(2) . ?
Y1 O2 2.3113(19) . ?
Y1 O3 2.315(2) . ?
Y1 O6 2.329(2) . ?
Y1 O1 2.335(2) . ?
Y1 O5 2.336(2) . ?
Y1 O7 2.3967(18) . ?
Y1 O7 2.4127(18) 7_656 ?
O7 N1 1.358(3) . ?
O7 Y1 2.4128(18) 7_656 ?
O6 C24 1.252(3) . ?
O3 C12 1.250(3) . ?
O2 C4 1.260(3) . ?
O1 C2 1.255(3) . ?
O4 C14 1.249(4) . ?
O5 C22 1.255(4) . ?
N1 C31 1.329(4) . ?
N1 C35 1.336(4) . ?
F2 C1 1.307(4) . ?
F4 C11 1.317(5) . ?
F5 C11 1.303(5) . ?
F1 C1 1.302(4) . ?
C5 C6 1.380(4) . ?
C5 C10 1.382(4) . ?
C5 C4 1.489(4) . ?
F7 C21 1.309(5) . ?
C22 C23 1.367(4) . ?
C22 C21 1.526(5) . ?
F6 C11 1.303(4) . ?
C2 C3 1.368(4) . ?
C2 C1 1.528(5) . ?
C4 C3 1.408(4) . ?
F3 C1 1.288(5) . ?
C25 C26 1.379(4) . ?
C25 C30 1.386(5) . ?
C25 C24 1.495(4) . ?
C23 C24 1.416(4) . ?
C23 H23 0.9300 . ?
C3 H3 0.9300 . ?
F8 C21 1.290(5) . ?
C31 C32 1.381(5) . ?
C31 H31 0.9300 . ?
C12 C13 1.361(4) . ?
C12 C11 1.521(5) . ?
C35 C34 1.375(5) . ?
C35 H35 0.9300 . ?
F9 C21 1.307(5) . ?
C15 C20 1.378(5) . ?
C15 C16 1.384(5) . ?
C15 C14 1.490(4) . ?
C6 C7 1.383(5) . ?
C6 H6 0.9300 . ?
C30 C29 1.370(5) . ?
C30 H30 0.9300 . ?
C14 C13 1.407(4) . ?
C34 C33 1.359(6) . ?
C34 H34 0.9300 . ?
C7 C8 1.363(5) . ?
C7 H7 0.9300 . ?
C9 C8 1.368(5) . ?
C9 C10 1.374(5) . ?
C9 H9 0.9300 . ?
C26 C27 1.376(5) . ?
C26 H26 0.9300 . ?
C8 H8 0.9300 . ?
C28 C27 1.359(6) . ?
C28 C29 1.368(6) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C32 C33 1.357(5) . ?
C32 H32 0.9300 . ?
C10 H10 0.9300 . ?
C33 H33 0.9300 . ?
C13 H13 0.9300 . ?
C27 H27 0.9300 . ?
C20 C19 1.376(5) . ?
C20 H20 0.9300 . ?
C16 C17 1.376(6) . ?
C16 H16 0.9300 . ?
C19 C18 1.336(6) . ?
C19 H19 0.9300 . ?
C18 C17 1.351(6) . ?
C18 H18 0.9300 . ?
C17 H17 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
O4 Y1 O2 76.25(7) . . ?
O4 Y1 O3 72.87(7) . . ?
O2 Y1 O3 125.79(8) . . ?
O4 Y1 O6 74.92(8) . . ?
O2 Y1 O6 73.97(7) . . ?
O3 Y1 O6 135.14(7) . . ?
O4 Y1 O1 106.06(8) . . ?
O2 Y1 O1 71.53(7) . . ?
O3 Y1 O1 75.71(8) . . ?
O6 Y1 O1 144.00(7) . . ?
O4 Y1 O5 86.54(8) . . ?
O2 Y1 O5 143.98(8) . . ?
O3 Y1 O5 76.60(8) . . ?
O6 Y1 O5 71.06(7) . . ?
O1 Y1 O5 144.37(7) . . ?
O4 Y1 O7 148.95(7) . . ?
O2 Y1 O7 131.42(7) . . ?
O3 Y1 O7 78.04(6) . . ?
O6 Y1 O7 121.58(7) . . ?
O1 Y1 O7 76.42(7) . . ?
O5 Y1 O7 76.26(7) . . ?
O4 Y1 O7 146.93(7) . 7_656 ?
O2 Y1 O7 79.51(7) . 7_656 ?
O3 Y1 O7 140.19(7) . 7_656 ?
O6 Y1 O7 77.00(7) . 7_656 ?
O1 Y1 O7 86.90(7) . 7_656 ?
O5 Y1 O7 100.56(7) . 7_656 ?
O7 Y1 O7 63.03(7) . 7_656 ?
N1 O7 Y1 121.00(14) . . ?
N1 O7 Y1 122.01(14) . 7_656 ?
Y1 O7 Y1 116.97(7) . 7_656 ?
C24 O6 Y1 136.10(19) . . ?
C12 O3 Y1 133.72(19) . . ?
C4 O2 Y1 139.83(19) . . ?
C2 O1 Y1 135.12(19) . . ?
C14 O4 Y1 139.57(19) . . ?
C22 O5 Y1 131.4(2) . . ?
C31 N1 C35 122.7(3) . . ?
C31 N1 O7 119.1(2) . . ?
C35 N1 O7 118.2(3) . . ?
C6 C5 C10 118.1(3) . . ?
C6 C5 C4 122.8(3) . . ?
C10 C5 C4 118.9(3) . . ?
O5 C22 C23 128.9(3) . . ?
O5 C22 C21 112.3(3) . . ?
C23 C22 C21 118.8(3) . . ?
O1 C2 C3 128.5(3) . . ?
O1 C2 C1 112.8(3) . . ?
C3 C2 C1 118.7(3) . . ?
O2 C4 C3 122.8(3) . . ?
O2 C4 C5 115.9(3) . . ?
C3 C4 C5 121.2(3) . . ?
C26 C25 C30 117.7(3) . . ?
C26 C25 C24 124.0(3) . . ?
C30 C25 C24 118.2(3) . . ?
C22 C23 C24 121.7(3) . . ?
C22 C23 H23 119.2 . . ?
C24 C23 H23 119.2 . . ?
C2 C3 C4 121.9(3) . . ?
C2 C3 H3 119.0 . . ?
C4 C3 H3 119.0 . . ?
F3 C1 F1 106.7(4) . . ?
F3 C1 F2 104.8(3) . . ?
F1 C1 F2 106.4(4) . . ?
F3 C1 C2 111.5(3) . . ?
F1 C1 C2 114.3(3) . . ?
F2 C1 C2 112.6(3) . . ?
N1 C31 C32 118.9(3) . . ?
N1 C31 H31 120.5 . . ?
C32 C31 H31 120.5 . . ?
O3 C12 C13 128.6(3) . . ?
O3 C12 C11 113.3(3) . . ?
C13 C12 C11 118.1(3) . . ?
O6 C24 C23 122.1(3) . . ?
O6 C24 C25 116.7(3) . . ?
C23 C24 C25 121.2(3) . . ?
N1 C35 C34 118.9(3) . . ?
N1 C35 H35 120.6 . . ?
C34 C35 H35 120.6 . . ?
C20 C15 C16 117.3(3) . . ?
C20 C15 C14 123.2(3) . . ?
C16 C15 C14 119.5(3) . . ?
C5 C6 C7 120.8(3) . . ?
C5 C6 H6 119.6 . . ?
C7 C6 H6 119.6 . . ?
C29 C30 C25 121.1(4) . . ?
C29 C30 H30 119.5 . . ?
C25 C30 H30 119.5 . . ?
O4 C14 C13 122.1(3) . . ?
O4 C14 C15 116.9(3) . . ?
C13 C14 C15 120.9(3) . . ?
F8 C21 F9 108.7(4) . . ?
F8 C21 F7 105.2(4) . . ?
F9 C21 F7 104.0(4) . . ?
F8 C21 C22 112.0(3) . . ?
F9 C21 C22 114.5(3) . . ?
F7 C21 C22 111.9(3) . . ?
C33 C34 C35 119.9(4) . . ?
C33 C34 H34 120.1 . . ?
C35 C34 H34 120.1 . . ?
C8 C7 C6 119.8(3) . . ?
C8 C7 H7 120.1 . . ?
C6 C7 H7 120.1 . . ?
C8 C9 C10 119.7(4) . . ?
C8 C9 H9 120.1 . . ?
C10 C9 H9 120.1 . . ?
C27 C26 C25 121.0(4) . . ?
C27 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
C7 C8 C9 120.4(3) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 H8 119.8 . . ?
C27 C28 C29 120.1(4) . . ?
C27 C28 H28 120.0 . . ?
C29 C28 H28 120.0 . . ?
C28 C29 C30 119.9(4) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C33 C32 C31 119.7(4) . . ?
C33 C32 H32 120.1 . . ?
C31 C32 H32 120.1 . . ?
F6 C11 F5 106.6(4) . . ?
F6 C11 F4 107.1(4) . . ?
F5 C11 F4 104.0(3) . . ?
F6 C11 C12 114.9(3) . . ?
F5 C11 C12 111.3(3) . . ?
F4 C11 C12 112.2(3) . . ?
C9 C10 C5 121.1(3) . . ?
C9 C10 H10 119.4 . . ?
C5 C10 H10 119.4 . . ?
C32 C33 C34 119.9(3) . . ?
C32 C33 H33 120.1 . . ?
C34 C33 H33 120.1 . . ?
C12 C13 C14 123.1(3) . . ?
C12 C13 H13 118.5 . . ?
C14 C13 H13 118.5 . . ?
C28 C27 C26 120.1(4) . . ?
C28 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C19 C20 C15 121.6(4) . . ?
C19 C20 H20 119.2 . . ?
C15 C20 H20 119.2 . . ?
C17 C16 C15 119.8(4) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C18 C19 C20 120.0(4) . . ?
C18 C19 H19 120.0 . . ?
C20 C19 H19 120.0 . . ?
C19 C18 C17 120.0(4) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C17 C16 121.3(5) . . ?
C18 C17 H17 119.4 . . ?
C16 C17 H17 119.4 . . ?

_refine_diff_density_max         0.422
_refine_diff_density_min         -0.426
_refine_diff_density_rms         0.048



####################################################################### 
# 
# 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_1Gd
_database_code_depnum_ccdc_archive 'CCDC 1890606'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Sun'
;Heilongjiang University
China
;
_audit_update_record             
;
2019-02-19 deposited with the CCDC.	2019-02-25 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            'C76 H60 F18 Gd2 N2 O14'
_chemical_formula_weight         1881.76

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

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

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

_cell_length_a                   30.888(3)
_cell_length_b                   11.6448(10)
_cell_length_c                   23.2385(19)
_cell_angle_alpha                90
_cell_angle_beta                 109.5270(10)
_cell_angle_gamma                90
_cell_volume                     7877.9(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9564
_cell_measurement_theta_min      2.651
_cell_measurement_theta_max      28.278

_exptl_crystal_description       block
_exptl_crystal_colour            'clear whiteish white'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.587
_exptl_crystal_F_000             3728
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_absorpt_coefficient_mu    1.774
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6224
_exptl_absorpt_correction_T_max  0.7457
_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       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            34589
_diffrn_reflns_av_unetI/netI     0.0219
_diffrn_reflns_av_R_equivalents  0.0215
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.477
_diffrn_reflns_theta_max         28.299
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             9764
_reflns_number_gt                8184
_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.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1071P)²+20.8708P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9764
_refine_ls_number_parameters     478
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0424
_refine_ls_R_factor_gt           0.0334
_refine_ls_wR_factor_ref         0.1163
_refine_ls_wR_factor_gt          0.1050
_refine_ls_goodness_of_fit_ref   0.739
_refine_ls_restrained_S_all      0.739
_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
Gd1 Gd 0.31600(2) 0.68186(2) 0.52864(2) 0.04101(7) Uani 1 1 d . . . . .
O6 O 0.34904(8) 0.7312(2) 0.63219(10) 0.0517(5) Uani 1 1 d . . . . .
O5 O 0.28258(9) 0.5677(2) 0.58789(11) 0.0566(6) Uani 1 1 d . . . . .
O7 O 0.23633(8) 0.66478(18) 0.46374(11) 0.0454(5) Uani 1 1 d . . . . .
O2 O 0.35898(9) 0.8509(2) 0.52985(12) 0.0547(6) Uani 1 1 d . . . . .
O4 O 0.39136(8) 0.6201(2) 0.55214(12) 0.0584(6) Uani 1 1 d . . . . .
O3 O 0.31458(8) 0.4965(2) 0.48784(12) 0.0547(6) Uani 1 1 d . . . . .
O1 O 0.31822(9) 0.7184(3) 0.42878(11) 0.0613(6) Uani 1 1 d . . . . .
N1 N 0.22150(9) 0.5727(2) 0.42601(12) 0.0443(6) Uani 1 1 d . . . . .
F9 F 0.21373(11) 0.4722(4) 0.61770(19) 0.1218(13) Uani 1 1 d . . . . .
F2 F 0.34522(15) 0.6298(3) 0.33711(16) 0.1168(12) Uani 1 1 d . . . . .
C14 C 0.41364(11) 0.5366(3) 0.54313(16) 0.0515(7) Uani 1 1 d . . . . .
C3 C 0.38071(14) 0.8460(3) 0.44272(17) 0.0567(8) Uani 1 1 d . . . . .
H3 H 0.4018 0.8714 0.4248 0.068 Uiso 1 1 calc R U . . .
C24 C 0.34342(11) 0.7125(3) 0.68258(14) 0.0458(6) Uani 1 1 d . . . . .
F4 F 0.30770(17) 0.3426(4) 0.39007(18) 0.1348(16) Uani 1 1 d . . . . .
C4 C 0.38416(11) 0.8872(3) 0.50131(16) 0.0482(7) Uani 1 1 d . . . . .
C2 C 0.34734(13) 0.7699(3) 0.41157(15) 0.0541(8) Uani 1 1 d . . . . .
C25 C 0.37087(12) 0.7864(3) 0.73442(14) 0.0492(7) Uani 1 1 d . . . . .
C15 C 0.46468(13) 0.5430(4) 0.56815(17) 0.0593(9) Uani 1 1 d . . . . .
F6 F 0.35557(12) 0.2391(3) 0.4536(3) 0.170(2) Uani 1 1 d . . . . .
F1 F 0.30246(18) 0.7705(6) 0.30725(15) 0.165(2) Uani 1 1 d . . . . .
C22 C 0.28579(12) 0.5642(3) 0.64302(15) 0.0497(7) Uani 1 1 d . . . . .
F5 F 0.29117(13) 0.2771(3) 0.4627(2) 0.1231(13) Uani 1 1 d . . . . .
F7 F 0.27034(16) 0.3694(3) 0.6515(3) 0.1435(17) Uani 1 1 d . . . . .
C5 C 0.41807(12) 0.9779(3) 0.53218(17) 0.0504(7) Uani 1 1 d . . . . .
C30 C 0.41062(17) 0.8380(4) 0.73113(19) 0.0689(11) Uani 1 1 d . . . . .
H30 H 0.4211 0.8200 0.6990 0.083 Uiso 1 1 calc R U . . .
C32 C 0.20826(17) 0.4869(4) 0.33055(19) 0.0736(12) Uani 1 1 d . . . . .
H32 H 0.2096 0.4900 0.2912 0.088 Uiso 1 1 calc R U . . .
C23 C 0.31300(13) 0.6295(3) 0.69097(16) 0.0546(8) Uani 1 1 d . . . . .
H23 H 0.3112 0.6184 0.7297 0.066 Uiso 1 1 calc R U . . .
F8 F 0.25194(18) 0.4772(4) 0.71081(18) 0.1503(19) Uani 1 1 d . . . . .
C6 C 0.42504(16) 1.0007(4) 0.5937(2) 0.0693(10) Uani 1 1 d . . . . .
H6 H 0.4089 0.9589 0.6140 0.083 Uiso 1 1 calc R U . . .
C31 C 0.22479(13) 0.5774(3) 0.37027(15) 0.0569(8) Uani 1 1 d . . . . .
H31 H 0.2380 0.6407 0.3583 0.068 Uiso 1 1 calc R U . . .
C10 C 0.44270(15) 1.0418(3) 0.5036(2) 0.0663(10) Uani 1 1 d . . . . .
H10 H 0.4386 1.0290 0.4625 0.080 Uiso 1 1 calc R U . . .
F3 F 0.3745(2) 0.7837(5) 0.32693(19) 0.171(2) Uani 1 1 d . . . . .
C12 C 0.34535(12) 0.4291(3) 0.48502(16) 0.0505(7) Uani 1 1 d . . . . .
C26 C 0.35635(15) 0.8131(3) 0.78340(17) 0.0586(9) Uani 1 1 d . . . . .
H26 H 0.3305 0.7773 0.7872 0.070 Uiso 1 1 calc R U . . .
C35 C 0.20527(14) 0.4818(3) 0.44642(19) 0.0609(9) Uani 1 1 d . . . . .
H35 H 0.2050 0.4798 0.4863 0.073 Uiso 1 1 calc R U . . .
C1 C 0.34264(19) 0.7396(5) 0.3452(2) 0.0775(12) Uani 1 1 d . . . . .
C20 C 0.49316(14) 0.4538(4) 0.5660(2) 0.0752(12) Uani 1 1 d . . . . .
H20 H 0.4804 0.3852 0.5475 0.090 Uiso 1 1 calc R U . . .
C13 C 0.39185(13) 0.4399(4) 0.5092(2) 0.0675(11) Uani 1 1 d . . . . .
H13 H 0.4101 0.3808 0.5030 0.081 Uiso 1 1 calc R U . . .
C9 C 0.47365(18) 1.1251(4) 0.5358(3) 0.0833(14) Uani 1 1 d . . . . .
H9 H 0.4901 1.1675 0.5161 0.100 Uiso 1 1 calc R U . . .
C29 C 0.43467(19) 0.9156(5) 0.7751(2) 0.0889(16) Uani 1 1 d . . . . .
H29 H 0.4615 0.9488 0.7732 0.107 Uiso 1 1 calc R U . . .
C21 C 0.25549(16) 0.4710(4) 0.6567(2) 0.0691(10) Uani 1 1 d . . . . .
C34 C 0.18869(17) 0.3899(4) 0.4075(2) 0.0805(13) Uani 1 1 d . . . . .
H34 H 0.1767 0.3260 0.4209 0.097 Uiso 1 1 calc R U . . .
C11 C 0.32564(16) 0.3201(4) 0.4482(3) 0.0773(15) Uani 1 1 d . . . . .
C33 C 0.18993(17) 0.3932(4) 0.3489(2) 0.0797(14) Uani 1 1 d . . . . .
H33 H 0.1784 0.3324 0.3222 0.096 Uiso 1 1 calc R U . . .
C7 C 0.45548(19) 1.0839(4) 0.6246(2) 0.0869(14) Uani 1 1 d . . . . .
H7 H 0.4596 1.0992 0.6653 0.104 Uiso 1 1 calc R U . . .
C27 C 0.38024(17) 0.8928(4) 0.82648(18) 0.0738(12) Uani 1 1 d . . . . .
H27 H 0.3699 0.9115 0.8586 0.089 Uiso 1 1 calc R U . . .
C28 C 0.41833(19) 0.9437(4) 0.8224(2) 0.0812(13) Uani 1 1 d . . . . .
H28 H 0.4338 0.9979 0.8513 0.097 Uiso 1 1 calc R U . . .
C8 C 0.47991(18) 1.1446(4) 0.5947(3) 0.0868(15) Uani 1 1 d . . . . .
H8 H 0.5010 1.1998 0.6158 0.104 Uiso 1 1 calc R U . . .
C16 C 0.48506(17) 0.6461(5) 0.5950(3) 0.0956(18) Uani 1 1 d . . . . .
H16 H 0.4670 0.7089 0.5971 0.115 Uiso 1 1 calc R U . . .
C19 C 0.54021(16) 0.4634(6) 0.5905(3) 0.0939(16) Uani 1 1 d . . . . .
H19 H 0.5588 0.4017 0.5884 0.113 Uiso 1 1 calc R U . . .
C18 C 0.55946(17) 0.5621(6) 0.6174(3) 0.1049(19) Uani 1 1 d . . . . .
H18 H 0.5912 0.5680 0.6352 0.126 Uiso 1 1 calc R U . . .
C17 C 0.5322(2) 0.6526(7) 0.6184(4) 0.127(3) Uani 1 1 d . . . . .
H17 H 0.5457 0.7215 0.6353 0.153 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
Gd1 O4 2.320(2) . ?
Gd1 O6 2.350(2) . ?
Gd1 O3 2.352(2) . ?
Gd1 O2 2.369(3) . ?
Gd1 O1 2.383(3) . ?
Gd1 O5 2.383(2) . ?
Gd1 O7 2.427(2) . ?
Gd1 O7 2.455(2) 7_566 ?
O6 C24 1.259(4) . ?
O5 C22 1.252(4) . ?
O7 N1 1.364(3) . ?
O7 Gd1 2.455(2) 7_566 ?
O2 C4 1.252(4) . ?
O4 C14 1.249(4) . ?
O3 C12 1.251(4) . ?
O1 C2 1.252(4) . ?
N1 C35 1.325(5) . ?
N1 C31 1.334(4) . ?
F9 C21 1.306(6) . ?
F2 C1 1.299(7) . ?
C14 C13 1.411(5) . ?
C14 C15 1.489(5) . ?
C3 C2 1.369(5) . ?
C3 C4 1.414(5) . ?
C3 H3 0.9300 . ?
C24 C23 1.407(5) . ?
C24 C25 1.493(4) . ?
F4 C11 1.304(7) . ?
C4 C5 1.492(5) . ?
C2 C1 1.542(5) . ?
C25 C30 1.392(6) . ?
C25 C26 1.391(5) . ?
C15 C20 1.373(6) . ?
C15 C16 1.401(6) . ?
F6 C11 1.297(5) . ?
F1 C1 1.310(7) . ?
C22 C23 1.379(5) . ?
C22 C21 1.534(5) . ?
F5 C11 1.318(6) . ?
F7 C21 1.289(6) . ?
C5 C10 1.383(5) . ?
C5 C6 1.399(5) . ?
C30 C29 1.380(6) . ?
C30 H30 0.9300 . ?
C32 C33 1.362(7) . ?
C32 C31 1.381(5) . ?
C32 H32 0.9300 . ?
C23 H23 0.9300 . ?
F8 C21 1.300(5) . ?
C6 C7 1.374(6) . ?
C6 H6 0.9300 . ?
C31 H31 0.9300 . ?
C10 C9 1.391(6) . ?
C10 H10 0.9300 . ?
F3 C1 1.299(6) . ?
C12 C13 1.362(5) . ?
C12 C11 1.539(5) . ?
C26 C27 1.383(5) . ?
C26 H26 0.9300 . ?
C35 C34 1.384(5) . ?
C35 H35 0.9300 . ?
C20 C19 1.377(6) . ?
C20 H20 0.9300 . ?
C13 H13 0.9300 . ?
C9 C8 1.337(8) . ?
C9 H9 0.9300 . ?
C29 C28 1.392(7) . ?
C29 H29 0.9300 . ?
C34 C33 1.375(7) . ?
C34 H34 0.9300 . ?
C33 H33 0.9300 . ?
C7 C8 1.379(8) . ?
C7 H7 0.9300 . ?
C27 C28 1.349(7) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C8 H8 0.9300 . ?
C16 C17 1.375(7) . ?
C16 H16 0.9300 . ?
C19 C18 1.349(8) . ?
C19 H19 0.9300 . ?
C18 C17 1.354(9) . ?
C18 H18 0.9300 . ?
C17 H17 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
O4 Gd1 O6 77.10(9) . . ?
O4 Gd1 O3 72.10(8) . . ?
O6 Gd1 O3 125.49(9) . . ?
O4 Gd1 O2 74.97(10) . . ?
O6 Gd1 O2 74.61(9) . . ?
O3 Gd1 O2 134.61(9) . . ?
O4 Gd1 O1 86.07(10) . . ?
O6 Gd1 O1 144.06(9) . . ?
O3 Gd1 O1 76.95(10) . . ?
O2 Gd1 O1 70.41(9) . . ?
O4 Gd1 O5 106.59(10) . . ?
O6 Gd1 O5 70.64(8) . . ?
O3 Gd1 O5 76.56(9) . . ?
O2 Gd1 O5 143.69(8) . . ?
O1 Gd1 O5 145.23(9) . . ?
O4 Gd1 O7 148.21(8) . . ?
O6 Gd1 O7 131.27(8) . . ?
O3 Gd1 O7 78.22(7) . . ?
O2 Gd1 O7 121.55(9) . . ?
O1 Gd1 O7 76.27(9) . . ?
O5 Gd1 O7 76.60(9) . . ?
O4 Gd1 O7 147.30(8) . 7_566 ?
O6 Gd1 O7 79.58(8) . 7_566 ?
O3 Gd1 O7 140.60(8) . 7_566 ?
O2 Gd1 O7 76.97(9) . 7_566 ?
O1 Gd1 O7 100.03(9) . 7_566 ?
O5 Gd1 O7 86.63(9) . 7_566 ?
O7 Gd1 O7 63.19(8) . 7_566 ?
C24 O6 Gd1 139.7(2) . . ?
C22 O5 Gd1 135.1(2) . . ?
N1 O7 Gd1 121.13(17) . . ?
N1 O7 Gd1 122.05(17) . 7_566 ?
Gd1 O7 Gd1 116.81(8) . 7_566 ?
C4 O2 Gd1 136.0(2) . . ?
C14 O4 Gd1 140.1(2) . . ?
C12 O3 Gd1 133.2(2) . . ?
C2 O1 Gd1 130.8(2) . . ?
C35 N1 C31 122.8(3) . . ?
C35 N1 O7 118.9(3) . . ?
C31 N1 O7 118.3(3) . . ?
O4 C14 C13 121.9(3) . . ?
O4 C14 C15 117.8(3) . . ?
C13 C14 C15 120.2(3) . . ?
C2 C3 C4 122.0(3) . . ?
C2 C3 H3 119.0 . . ?
C4 C3 H3 119.0 . . ?
O6 C24 C23 123.6(3) . . ?
O6 C24 C25 115.7(3) . . ?
C23 C24 C25 120.7(3) . . ?
O2 C4 C3 122.4(3) . . ?
O2 C4 C5 116.4(3) . . ?
C3 C4 C5 121.2(3) . . ?
O1 C2 C3 129.4(3) . . ?
O1 C2 C1 111.9(3) . . ?
C3 C2 C1 118.7(4) . . ?
C30 C25 C26 118.7(3) . . ?
C30 C25 C24 118.5(3) . . ?
C26 C25 C24 122.5(3) . . ?
C20 C15 C16 117.8(4) . . ?
C20 C15 C14 123.7(4) . . ?
C16 C15 C14 118.4(4) . . ?
O5 C22 C23 128.9(3) . . ?
O5 C22 C21 113.0(3) . . ?
C23 C22 C21 118.1(3) . . ?
C10 C5 C6 117.9(4) . . ?
C10 C5 C4 124.1(3) . . ?
C6 C5 C4 118.0(3) . . ?
C29 C30 C25 120.5(4) . . ?
C29 C30 H30 119.7 . . ?
C25 C30 H30 119.7 . . ?
C33 C32 C31 120.1(4) . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C22 C23 C24 121.5(3) . . ?
C22 C23 H23 119.3 . . ?
C24 C23 H23 119.3 . . ?
C7 C6 C5 120.8(4) . . ?
C7 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
N1 C31 C32 119.1(4) . . ?
N1 C31 H31 120.4 . . ?
C32 C31 H31 120.4 . . ?
C5 C10 C9 120.4(4) . . ?
C5 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
O3 C12 C13 129.5(3) . . ?
O3 C12 C11 112.3(3) . . ?
C13 C12 C11 118.2(3) . . ?
C27 C26 C25 120.1(4) . . ?
C27 C26 H26 119.9 . . ?
C25 C26 H26 119.9 . . ?
N1 C35 C34 119.0(4) . . ?
N1 C35 H35 120.5 . . ?
C34 C35 H35 120.5 . . ?
F2 C1 F3 104.6(5) . . ?
F2 C1 F1 105.3(5) . . ?
F3 C1 F1 108.8(5) . . ?
F2 C1 C2 112.3(4) . . ?
F3 C1 C2 114.1(4) . . ?
F1 C1 C2 111.2(4) . . ?
C15 C20 C19 121.6(5) . . ?
C15 C20 H20 119.2 . . ?
C19 C20 H20 119.2 . . ?
C12 C13 C14 123.0(3) . . ?
C12 C13 H13 118.5 . . ?
C14 C13 H13 118.5 . . ?
C8 C9 C10 120.5(5) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 H9 119.7 . . ?
C30 C29 C28 119.4(4) . . ?
C30 C29 H29 120.3 . . ?
C28 C29 H29 120.3 . . ?
F7 C21 F8 106.8(5) . . ?
F7 C21 F9 104.2(4) . . ?
F8 C21 F9 106.7(5) . . ?
F7 C21 C22 111.6(4) . . ?
F8 C21 C22 114.6(4) . . ?
F9 C21 C22 112.2(4) . . ?
C33 C34 C35 119.9(4) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
F6 C11 F4 106.8(5) . . ?
F6 C11 F5 108.0(5) . . ?
F4 C11 F5 104.0(4) . . ?
F6 C11 C12 114.2(4) . . ?
F4 C11 C12 111.2(4) . . ?
F5 C11 C12 112.0(4) . . ?
C32 C33 C34 119.0(4) . . ?
C32 C33 H33 120.5 . . ?
C34 C33 H33 120.5 . . ?
C6 C7 C8 119.6(5) . . ?
C6 C7 H7 120.2 . . ?
C8 C7 H7 120.2 . . ?
C28 C27 C26 120.7(4) . . ?
C28 C27 H27 119.7 . . ?
C26 C27 H27 119.7 . . ?
C27 C28 C29 120.5(4) . . ?
C27 C28 H28 119.8 . . ?
C29 C28 H28 119.8 . . ?
C9 C8 C7 120.8(5) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
C17 C16 C15 118.8(5) . . ?
C17 C16 H16 120.6 . . ?
C15 C16 H16 120.6 . . ?
C18 C19 C20 120.1(5) . . ?
C18 C19 H19 119.9 . . ?
C20 C19 H19 119.9 . . ?
C19 C18 C17 119.4(5) . . ?
C19 C18 H18 120.3 . . ?
C17 C18 H18 120.3 . . ?
C18 C17 C16 122.3(6) . . ?
C18 C17 H17 118.9 . . ?
C16 C17 H17 118.9 . . ?

_refine_diff_density_max         0.737
_refine_diff_density_min         -0.618
_refine_diff_density_rms         0.069



####################################################################### 
# 
# 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_2Dy
_database_code_depnum_ccdc_archive 'CCDC 1890608'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Sun'
;Heilongjiang University
China
;
_audit_update_record             
;
2019-02-20 deposited with the CCDC.	2019-02-25 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            'C71 H47 Dy2 F18 N2 O14.50'
_chemical_formula_weight         1827.10

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   24.291(2)
_cell_length_b                   14.5614(16)
_cell_length_c                   23.223(2)
_cell_angle_alpha                90
_cell_angle_beta                 117.676(12)
_cell_angle_gamma                90
_cell_volume                     7274.4(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    5070
_cell_measurement_theta_min      2.9620
_cell_measurement_theta_max      28.8027

_exptl_crystal_description       block
_exptl_crystal_colour            'clear whiteish white'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.668
_exptl_crystal_F_000             3588
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    2.149
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.32432
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25708
_diffrn_reflns_av_unetI/netI     0.1617
_diffrn_reflns_av_R_equivalents  0.0616
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.968
_diffrn_reflns_theta_max         28.866
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.841
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.841
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.841
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             16065
_reflns_number_gt                6893
_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.
 The alert "PLAT601_ALERT_2_B VERY LARGE Solvent Accessible VOID(S) in Structure" is owing
 to the residual solvents, which can not be located. The diffused electron densities 
 resulting from the residual solvents were removed from the dataset by using the SQUEEZE 
 routine of PLATON and it was further refined using the data generated. Analysis indicates
 it should be two ethanol molecules per cell, and it has been added in the unit cell content.

 The alert " low bond precision on C-C bond" is owing to the relatively poor data. However, 
 it is the best result we could afford.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1231P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         16065
_refine_ls_number_parameters     943
_refine_ls_number_restraints     166
_refine_ls_R_factor_all          0.2093
_refine_ls_R_factor_gt           0.1074
_refine_ls_wR_factor_ref         0.2997
_refine_ls_wR_factor_gt          0.2496
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.084
_refine_ls_shift/su_mean         0.001

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.53429(3) 0.40612(5) 0.57412(3) 0.0577(2) Uani 1 1 d . . . . .
Dy2 Dy 0.03250(3) 0.50888(5) 0.59874(4) 0.0651(3) Uani 1 1 d . . . . .
O14 O 0.0553(3) 0.5004(6) 0.5096(4) 0.054(2) Uani 1 1 d . . . . .
O4 O 0.5073(4) 0.4853(6) 0.6428(4) 0.058(2) Uani 1 1 d . . . . .
O7 O 0.4499(3) 0.5055(6) 0.5044(4) 0.057(2) Uani 1 1 d . . . . .
O5 O 0.4528(5) 0.3198(7) 0.5729(5) 0.071(3) Uani 1 1 d . . . . .
O12 O -0.0379(4) 0.6084(6) 0.6104(5) 0.063(3) Uani 1 1 d . . . . .
O11 O 0.1398(5) 0.5163(7) 0.6514(5) 0.082(3) Uani 1 1 d . . . . .
N2 N 0.1146(4) 0.5001(7) 0.5164(4) 0.040(2) Uani 1 1 d . . . . .
O13 O 0.0524(5) 0.6621(7) 0.5796(5) 0.080(3) Uani 1 1 d . . . . .
O3 O 0.6149(4) 0.5041(8) 0.6344(5) 0.086(3) Uani 1 1 d . . . . .
O1 O 0.6174(4) 0.3260(8) 0.5758(4) 0.079(3) Uani 1 1 d . . . . .
O2 O 0.5816(4) 0.3299(7) 0.6725(4) 0.073(3) Uani 1 1 d . . . . .
O9 O -0.0354(4) 0.4106(7) 0.6127(5) 0.071(3) Uani 1 1 d . . . . .
O6 O 0.4949(5) 0.3126(8) 0.4796(5) 0.094(4) Uani 1 1 d . U . . .
O10 O 0.0651(4) 0.5155(8) 0.7084(6) 0.089(4) Uani 1 1 d . . . . .
N1 N 0.3952(4) 0.5097(7) 0.5076(5) 0.047(2) Uani 1 1 d . . . . .
O8 O 0.0643(5) 0.3575(8) 0.6005(6) 0.092(4) Uani 1 1 d . . . . .
F16 F 0.0667(7) 0.7940(8) 0.5075(8) 0.154(5) Uani 1 1 d . U . . .
F18 F 0.1137(8) 0.8298(11) 0.6037(9) 0.187(7) Uani 1 1 d . U . . .
F12 F 0.0968(7) 0.1347(10) 0.6597(9) 0.185(7) Uani 1 1 d . U . . .
F13 F 0.2537(6) 0.4326(12) 0.6904(9) 0.183(7) Uani 1 1 d . . . . .
F15 F 0.2888(5) 0.4943(13) 0.7776(6) 0.175(7) Uani 1 1 d . U . . .
F8 F 0.4703(14) 0.2469(16) 0.3667(9) 0.268(12) Uani 1 1 d . U . . .
F11 F 0.1029(9) 0.1940(12) 0.5801(8) 0.207(8) Uani 1 1 d . U . . .
F17 F 0.0278(8) 0.8926(10) 0.5427(10) 0.186(7) Uani 1 1 d . U . . .
F14 F 0.2602(6) 0.5685(14) 0.6931(10) 0.209(9) Uani 1 1 d . . . . .
F2 F 0.7246(7) 0.2930(15) 0.5688(8) 0.217(9) Uani 1 1 d . U . . .
F1 F 0.7475(7) 0.1918(13) 0.6366(7) 0.207(8) Uani 1 1 d . U . . .
F5 F 0.7051(9) 0.6349(17) 0.6822(10) 0.256(11) Uani 1 1 d . U . . .
F10 F 0.1611(8) 0.2368(12) 0.6731(12) 0.224(10) Uani 1 1 d . . . . .
F4 F 0.7353(7) 0.5067(17) 0.7203(13) 0.251(11) Uani 1 1 d . U . . .
F6 F 0.7184(7) 0.6109(17) 0.7706(10) 0.274(11) Uani 1 1 d . U . . .
F3 F 0.6641(10) 0.1760(15) 0.5444(10) 0.251(6) Uani 1 1 d . U . . .
F9 F 0.4009(10) 0.178(2) 0.3611(12) 0.291(12) Uani 1 1 d . U . . .
F7 F 0.4856(17) 0.130(2) 0.4164(12) 0.350(18) Uani 1 1 d . . . . .
C1 C 0.6981(14) 0.232(2) 0.5866(15) 0.151(6) Uani 1 1 d . U . . .
C2 C 0.6593(9) 0.2792(14) 0.6199(8) 0.102(7) Uani 1 1 d . . . . .
C3 C 0.6756(7) 0.2711(14) 0.6837(7) 0.096(6) Uani 1 1 d . . . . .
H3 H 0.7133 0.2437 0.7113 0.116 Uiso 1 1 calc R U . . .
C4 C 0.6368(7) 0.3029(12) 0.7098(8) 0.080(5) Uani 1 1 d . . . . .
C5 C 0.6586(8) 0.3038(12) 0.7811(7) 0.083(5) Uani 1 1 d . . . . .
C6 C 0.6168(9) 0.3128(16) 0.8028(9) 0.123(8) Uani 1 1 d . . . . .
H6 H 0.5749 0.3141 0.7725 0.147 Uiso 1 1 calc R U . . .
C7 C 0.6326(11) 0.3202(14) 0.8680(9) 0.110(7) Uani 1 1 d . . . . .
H7 H 0.6029 0.3252 0.8824 0.132 Uiso 1 1 calc R U . . .
C8 C 0.6965(11) 0.3196(14) 0.9107(9) 0.107(7) Uani 1 1 d . . . . .
H8 H 0.7103 0.3256 0.9552 0.128 Uiso 1 1 calc R U . . .
C9 C 0.7371(11) 0.3107(14) 0.8885(10) 0.113(7) Uani 1 1 d . . . . .
H9 H 0.7791 0.3109 0.9184 0.136 Uiso 1 1 calc R U . . .
C10 C 0.7217(8) 0.3012(14) 0.8250(8) 0.102(6) Uani 1 1 d . . . . .
H10 H 0.7518 0.2933 0.8112 0.123 Uiso 1 1 calc R U . . .
C11 C 0.7009(11) 0.576(2) 0.7213(10) 0.122(7) Uani 1 1 d . U . . .
C12 C 0.6312(7) 0.5435(13) 0.6888(8) 0.084(5) Uani 1 1 d . U . . .
C13 C 0.5975(7) 0.5555(12) 0.7228(6) 0.077(4) Uani 1 1 d . U . . .
H13 H 0.6155 0.5857 0.7626 0.092 Uiso 1 1 calc R U . . .
C14 C 0.5366(7) 0.5226(9) 0.6976(8) 0.063(4) Uani 1 1 d . . . . .
C15 C 0.5025(6) 0.5374(11) 0.7364(7) 0.068(4) Uani 1 1 d D . . . .
C16 C 0.4523(8) 0.4922(14) 0.7237(9) 0.098(6) Uani 1 1 d . . . . .
H16 H 0.4388 0.4491 0.6904 0.118 Uiso 1 1 calc R U . . .
C17 C 0.4169(9) 0.504(2) 0.7564(11) 0.153(12) Uani 1 1 d . . . . .
H17 H 0.3811 0.4691 0.7450 0.184 Uiso 1 1 calc R U . . .
C18 C 0.4341(9) 0.5602(19) 0.8004(10) 0.127(9) Uani 1 1 d . . . . .
H18 H 0.4138 0.5630 0.8259 0.152 Uiso 1 1 calc R U . . .
C19 C 0.4813(11) 0.6183(19) 0.8128(12) 0.164(12) Uani 1 1 d . . . . .
H19 H 0.4910 0.6643 0.8439 0.197 Uiso 1 1 calc R U . . .
C20 C 0.5155(10) 0.6094(14) 0.7792(10) 0.131(9) Uani 1 1 d D . . . .
H20 H 0.5467 0.6513 0.7855 0.157 Uiso 1 1 calc R U . . .
C21 C 0.4650(16) 0.204(3) 0.4128(16) 0.163(5) Uani 1 1 d . U . . .
C22 C 0.4547(9) 0.2471(17) 0.4641(12) 0.122(4) Uani 1 1 d . U . . .
C23 C 0.4178(9) 0.2182(14) 0.4852(13) 0.123(8) Uani 1 1 d . U . . .
H23 H 0.3898 0.1719 0.4624 0.148 Uiso 1 1 calc R U . . .
C24 C 0.4177(8) 0.2526(15) 0.5398(9) 0.088(5) Uani 1 1 d . . . . .
C25 C 0.3743(6) 0.2141(11) 0.5623(7) 0.113(3) Uani 1 1 d DG U . . .
C26 C 0.3450(8) 0.1295(11) 0.5424(8) 0.194(3) Uani 1 1 d G U . . .
H26 H 0.3537 0.0924 0.5150 0.232 Uiso 1 1 calc R U . . .
C27 C 0.3030(8) 0.1003(11) 0.5635(10) 0.226(6) Uani 1 1 d G U . . .
H27 H 0.2834 0.0437 0.5502 0.271 Uiso 1 1 calc R U . . .
C28 C 0.2901(7) 0.1558(14) 0.6045(9) 0.200(12) Uani 1 1 d G U . . .
H28 H 0.2619 0.1362 0.6186 0.240 Uiso 1 1 calc R U . . .
C29 C 0.3193(8) 0.2404(13) 0.6244(8) 0.153(5) Uani 1 1 d G U . . .
H29 H 0.3107 0.2775 0.6518 0.183 Uiso 1 1 calc R U . . .
C30 C 0.3614(7) 0.2696(9) 0.6032(7) 0.133(3) Uani 1 1 d DG U . . .
H30 H 0.3810 0.3262 0.6165 0.159 Uiso 1 1 calc R U . . .
C31 C 0.3514(5) 0.4473(9) 0.4725(5) 0.047(3) Uani 1 1 d . . . . .
H31 H 0.3578 0.4065 0.4454 0.056 Uiso 1 1 calc R U . . .
C32 C 0.2976(5) 0.4449(10) 0.4774(6) 0.054(3) Uani 1 1 d . . . . .
H32 H 0.2671 0.4020 0.4537 0.065 Uiso 1 1 calc R U . . .
C33 C 0.3878(5) 0.5711(9) 0.5456(6) 0.051(3) Uani 1 1 d . . . . .
H33 H 0.4187 0.6140 0.5684 0.062 Uiso 1 1 calc R U . . .
C34 C 0.3337(5) 0.5704(10) 0.5509(6) 0.057(3) Uani 1 1 d . . . . .
H34 H 0.3281 0.6137 0.5770 0.068 Uiso 1 1 calc R U . . .
C35 C 0.2882(5) 0.5073(9) 0.5184(6) 0.050(3) Uani 1 1 d . . . . .
C36 C 0.2280(5) 0.5044(9) 0.5204(6) 0.047(3) Uani 1 1 d . . . . .
C37 C 0.2011(6) 0.4230(10) 0.5238(6) 0.059(4) Uani 1 1 d . . . . .
H37 H 0.2214 0.3677 0.5270 0.071 Uiso 1 1 calc R U . . .
C38 C 0.1446(5) 0.4238(9) 0.5226(6) 0.052(3) Uani 1 1 d . . . . .
H38 H 0.1271 0.3688 0.5261 0.062 Uiso 1 1 calc R U . . .
C39 C 0.1395(6) 0.5809(9) 0.5166(9) 0.074(5) Uani 1 1 d . . . . .
H39 H 0.1188 0.6350 0.5160 0.089 Uiso 1 1 calc R U . . .
C40 C 0.1968(6) 0.5834(9) 0.5178(7) 0.056(3) Uani 1 1 d . . . . .
H40 H 0.2143 0.6397 0.5167 0.067 Uiso 1 1 calc R U . . .
C41 C 0.0982(15) 0.2085(19) 0.6296(15) 0.138(10) Uani 1 1 d . . . . .
C42 C 0.0576(7) 0.2899(11) 0.6291(10) 0.084(5) Uani 1 1 d . . . . .
C43 C 0.0193(6) 0.2780(11) 0.6560(8) 0.081(5) Uani 1 1 d . . . . .
H43 H 0.0247 0.2269 0.6822 0.098 Uiso 1 1 calc R U . . .
C44 C -0.0273(7) 0.3387(12) 0.6460(8) 0.071(4) Uani 1 1 d . . . . .
C45 C -0.0697(7) 0.3280(10) 0.6759(8) 0.076(4) Uani 1 1 d D . . . .
C46 C -0.0628(8) 0.2583(11) 0.7198(9) 0.086(5) Uani 1 1 d . U . . .
H46 H -0.0330 0.2129 0.7286 0.103 Uiso 1 1 calc R U . . .
C47 C -0.0996(11) 0.2559(18) 0.7503(11) 0.130(8) Uani 1 1 d . U . . .
H47 H -0.0955 0.2077 0.7784 0.156 Uiso 1 1 calc R U . . .
C48 C -0.1449(13) 0.328(2) 0.7390(15) 0.167(11) Uani 1 1 d . U . . .
H48 H -0.1700 0.3269 0.7594 0.200 Uiso 1 1 calc R U . . .
C49 C -0.1495(13) 0.400(2) 0.6965(17) 0.188(12) Uani 1 1 d . U . . .
H49 H -0.1774 0.4477 0.6879 0.226 Uiso 1 1 calc R U . . .
C50 C -0.1112(9) 0.3952(14) 0.6685(11) 0.121(8) Uani 1 1 d D U . . .
H50 H -0.1138 0.4437 0.6412 0.146 Uiso 1 1 calc R U . . .
C51 C 0.2461(9) 0.504(2) 0.7188(12) 0.112(7) Uani 1 1 d . . . . .
C52 C 0.1811(6) 0.5072(10) 0.7125(7) 0.060(4) Uani 1 1 d . . . . .
C53 C 0.1721(7) 0.5087(11) 0.7638(9) 0.081(5) Uani 1 1 d . . . . .
H53 H 0.2064 0.5101 0.8048 0.097 Uiso 1 1 calc R U . . .
C54 C 0.1132(6) 0.5082(10) 0.7588(7) 0.060(4) Uani 1 1 d . U . . .
C55 C 0.1012(7) 0.5153(10) 0.8114(9) 0.069(4) Uani 1 1 d . U . . .
C56 C 0.0466(8) 0.5007(10) 0.8168(10) 0.083(5) Uani 1 1 d . . . . .
H56 H 0.0124 0.4836 0.7782 0.100 Uiso 1 1 calc R U . . .
C57 C 0.0353(12) 0.5071(14) 0.8674(15) 0.116(8) Uani 1 1 d . . . . .
H57 H -0.0045 0.4993 0.8629 0.140 Uiso 1 1 calc R U . . .
C58 C 0.0837(14) 0.5254(17) 0.9251(15) 0.135(10) Uani 1 1 d . . . . .
H58 H 0.0773 0.5231 0.9616 0.162 Uiso 1 1 calc R U . . .
C59 C 0.1432(12) 0.5477(13) 0.9346(11) 0.122(8) Uani 1 1 d . . . . .
H59 H 0.1757 0.5650 0.9745 0.147 Uiso 1 1 calc R U . . .
C60 C 0.1485(11) 0.5409(12) 0.8763(11) 0.108(7) Uani 1 1 d . . . . .
H60 H 0.1874 0.5547 0.8801 0.129 Uiso 1 1 calc R U . . .
C61 C 0.0586(12) 0.8157(17) 0.5587(12) 0.110(6) Uani 1 1 d . U . . .
C62 C 0.0261(8) 0.7372(14) 0.5740(9) 0.089(6) Uani 1 1 d . . . . .
C63 C -0.0230(7) 0.7554(10) 0.5850(8) 0.080(5) Uani 1 1 d . . . . .
H63 H -0.0383 0.8152 0.5781 0.096 Uiso 1 1 calc R U . . .
C64 C -0.0524(6) 0.6902(12) 0.6062(7) 0.073(4) Uani 1 1 d . . . . .
C65 C -0.1034(7) 0.7149(12) 0.6201(9) 0.082(5) Uani 1 1 d D . . . .
C66 C -0.1174(7) 0.6617(13) 0.6595(9) 0.090(5) Uani 1 1 d . . . . .
H66 H -0.0935 0.6097 0.6783 0.108 Uiso 1 1 calc R U . . .
C67 C -0.1652(8) 0.6822(17) 0.6722(10) 0.112(7) Uani 1 1 d . . . . .
H67 H -0.1725 0.6461 0.7011 0.135 Uiso 1 1 calc R U . . .
C68 C -0.2023(11) 0.7552(17) 0.6430(12) 0.122(7) Uani 1 1 d . U . . .
H68 H -0.2343 0.7695 0.6529 0.146 Uiso 1 1 calc R U . . .
C69 C -0.1943(10) 0.8060(16) 0.6010(13) 0.127(7) Uani 1 1 d . U . . .
H69 H -0.2219 0.8530 0.5785 0.152 Uiso 1 1 calc R U . . .
C70 C -0.1438(9) 0.7876(14) 0.5915(11) 0.122(7) Uani 1 1 d D U . . .
H70 H -0.1362 0.8262 0.5641 0.146 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O4 2.297(8) . ?
Dy1 O3 2.299(11) . ?
Dy1 O2 2.310(9) . ?
Dy1 O1 2.317(9) . ?
Dy1 O5 2.335(9) . ?
Dy1 O6 2.374(11) . ?
Dy1 O7 2.405(9) 3_666 ?
Dy1 O7 2.416(9) . ?
Dy2 O10 2.290(12) . ?
Dy2 O11 2.311(10) . ?
Dy2 O9 2.316(9) . ?
Dy2 O8 2.331(11) . ?
Dy2 O12 2.351(8) . ?
Dy2 O13 2.368(10) . ?
Dy2 O14 2.381(9) . ?
Dy2 O14 2.432(8) 3_566 ?
O14 N2 1.374(10) . ?
O14 Dy2 2.432(8) 3_566 ?
O4 C14 1.256(16) . ?
O7 N1 1.366(10) . ?
O7 Dy1 2.405(9) 3_666 ?
O5 C24 1.29(2) . ?
O12 C64 1.234(16) . ?
O11 C52 1.309(16) . ?
N2 C38 1.299(14) . ?
N2 C39 1.322(15) . ?
O13 C62 1.243(18) . ?
O3 C12 1.271(16) . ?
O1 C2 1.258(17) . ?
O2 C4 1.273(15) . ?
O9 C44 1.263(17) . ?
O6 C22 1.29(2) . ?
O10 C54 1.216(16) . ?
N1 C33 1.327(15) . ?
N1 C31 1.347(15) . ?
O8 C42 1.238(17) . ?
F16 C61 1.33(2) . ?
F18 C61 1.28(3) . ?
F12 C41 1.29(3) . ?
F13 C51 1.29(2) . ?
F15 C51 1.28(2) . ?
F8 C21 1.30(3) . ?
F11 C41 1.23(2) . ?
F17 C61 1.30(2) . ?
F14 C51 1.24(3) . ?
F2 C1 1.27(3) . ?
F1 C1 1.36(3) . ?
F5 C11 1.29(3) . ?
F10 C41 1.45(3) . ?
F4 C11 1.32(3) . ?
F6 C11 1.14(2) . ?
F3 C1 1.25(3) . ?
F9 C21 1.51(3) . ?
F7 C21 1.18(4) . ?
C1 C2 1.62(3) . ?
C2 C3 1.35(2) . ?
C3 C4 1.41(2) . ?
C3 H3 0.9300 . ?
C4 C5 1.49(2) . ?
C5 C6 1.33(2) . ?
C5 C10 1.39(2) . ?
C6 C7 1.38(2) . ?
C6 H6 0.9300 . ?
C7 C8 1.40(2) . ?
C7 H7 0.9300 . ?
C8 C9 1.32(2) . ?
C8 H8 0.9300 . ?
C9 C10 1.35(2) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.57(2) . ?
C12 C13 1.387(18) . ?
C13 C14 1.398(18) . ?
C13 H13 0.9300 . ?
C14 C15 1.497(17) . ?
C15 C16 1.29(2) . ?
C15 C20 1.377(15) . ?
C16 C17 1.40(2) . ?
C16 H16 0.9300 . ?
C17 C18 1.23(3) . ?
C17 H17 0.9300 . ?
C18 C19 1.34(3) . ?
C18 H18 0.9300 . ?
C19 C20 1.39(2) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 C22 1.47(3) . ?
C22 C23 1.28(3) . ?
C23 C24 1.36(3) . ?
C23 H23 0.9300 . ?
C24 C25 1.486(18) . ?
C25 C26 1.3900 . ?
C25 C30 1.3900 . ?
C26 C27 1.3900 . ?
C26 H26 0.9300 . ?
C27 C28 1.3900 . ?
C27 H27 0.9300 . ?
C28 C29 1.3900 . ?
C28 H28 0.9300 . ?
C29 C30 1.3900 . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C32 1.365(13) . ?
C31 H31 0.9300 . ?
C32 C35 1.409(17) . ?
C32 H32 0.9300 . ?
C33 C34 1.374(14) . ?
C33 H33 0.9300 . ?
C34 C35 1.364(17) . ?
C34 H34 0.9300 . ?
C35 C36 1.484(14) . ?
C36 C40 1.364(16) . ?
C36 C37 1.373(17) . ?
C37 C38 1.360(14) . ?
C37 H37 0.9300 . ?
C38 H38 0.9300 . ?
C39 C40 1.380(15) . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
C41 C42 1.54(2) . ?
C42 C43 1.354(18) . ?
C43 C44 1.368(19) . ?
C43 H43 0.9300 . ?
C44 C45 1.493(18) . ?
C45 C50 1.358(15) . ?
C45 C46 1.39(2) . ?
C46 C47 1.37(2) . ?
C46 H46 0.9300 . ?
C47 C48 1.46(3) . ?
C47 H47 0.9300 . ?
C48 C49 1.40(3) . ?
C48 H48 0.9300 . ?
C49 C50 1.36(3) . ?
C49 H49 0.9300 . ?
C50 H50 0.9300 . ?
C51 C52 1.52(2) . ?
C52 C53 1.305(19) . ?
C53 C54 1.382(16) . ?
C53 H53 0.9300 . ?
C54 C55 1.38(2) . ?
C55 C56 1.40(2) . ?
C55 C60 1.46(2) . ?
C56 C57 1.33(3) . ?
C56 H56 0.9300 . ?
C57 C58 1.34(3) . ?
C57 H57 0.9300 . ?
C58 C59 1.40(3) . ?
C58 H58 0.9300 . ?
C59 C60 1.42(3) . ?
C59 H59 0.9300 . ?
C60 H60 0.9300 . ?
C61 C62 1.52(3) . ?
C62 C63 1.357(17) . ?
C63 C64 1.406(19) . ?
C63 H63 0.9300 . ?
C64 C65 1.463(17) . ?
C65 C66 1.36(2) . ?
C65 C70 1.385(16) . ?
C66 C67 1.36(2) . ?
C66 H66 0.9300 . ?
C67 C68 1.36(3) . ?
C67 H67 0.9300 . ?
C68 C69 1.31(3) . ?
C68 H68 0.9300 . ?
C69 C70 1.37(2) . ?
C69 H69 0.9300 . ?
C70 H70 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
O4 Dy1 O3 72.7(3) . . ?
O4 Dy1 O2 74.1(3) . . ?
O3 Dy1 O2 78.7(4) . . ?
O4 Dy1 O1 140.3(3) . . ?
O3 Dy1 O1 79.2(4) . . ?
O2 Dy1 O1 73.3(3) . . ?
O4 Dy1 O5 76.3(3) . . ?
O3 Dy1 O5 145.0(4) . . ?
O2 Dy1 O5 77.4(4) . . ?
O1 Dy1 O5 117.2(4) . . ?
O4 Dy1 O6 143.8(3) . . ?
O3 Dy1 O6 141.5(3) . . ?
O2 Dy1 O6 116.2(4) . . ?
O1 Dy1 O6 72.6(4) . . ?
O5 Dy1 O6 72.8(4) . . ?
O4 Dy1 O7 117.1(3) . 3_666 ?
O3 Dy1 O7 74.8(3) . 3_666 ?
O2 Dy1 O7 145.7(3) . 3_666 ?
O1 Dy1 O7 80.6(3) . 3_666 ?
O5 Dy1 O7 135.5(3) . 3_666 ?
O6 Dy1 O7 75.2(4) . 3_666 ?
O4 Dy1 O7 74.8(3) . . ?
O3 Dy1 O7 104.7(4) . . ?
O2 Dy1 O7 145.9(3) . . ?
O1 Dy1 O7 140.8(3) . . ?
O5 Dy1 O7 82.1(3) . . ?
O6 Dy1 O7 82.6(4) . . ?
O7 Dy1 O7 63.6(3) 3_666 . ?
O10 Dy2 O11 71.8(3) . . ?
O10 Dy2 O9 76.8(4) . . ?
O11 Dy2 O9 131.0(3) . . ?
O10 Dy2 O8 94.6(4) . . ?
O11 Dy2 O8 75.6(4) . . ?
O9 Dy2 O8 70.4(3) . . ?
O10 Dy2 O12 75.0(3) . . ?
O11 Dy2 O12 127.8(4) . . ?
O9 Dy2 O12 76.2(3) . . ?
O8 Dy2 O12 146.5(3) . . ?
O10 Dy2 O13 100.0(4) . . ?
O11 Dy2 O13 77.1(4) . . ?
O9 Dy2 O13 146.0(3) . . ?
O8 Dy2 O13 143.1(3) . . ?
O12 Dy2 O13 70.4(3) . . ?
O10 Dy2 O14 150.3(3) . . ?
O11 Dy2 O14 78.6(3) . . ?
O9 Dy2 O14 123.9(3) . . ?
O8 Dy2 O14 75.9(3) . . ?
O12 Dy2 O14 127.4(3) . . ?
O13 Dy2 O14 74.7(3) . . ?
O10 Dy2 O14 146.8(3) . 3_566 ?
O11 Dy2 O14 141.4(3) . 3_566 ?
O9 Dy2 O14 76.8(3) . 3_566 ?
O8 Dy2 O14 95.2(4) . 3_566 ?
O12 Dy2 O14 79.5(3) . 3_566 ?
O13 Dy2 O14 90.9(3) . 3_566 ?
O14 Dy2 O14 62.9(3) . 3_566 ?
N2 O14 Dy2 123.7(6) . . ?
N2 O14 Dy2 119.2(6) . 3_566 ?
Dy2 O14 Dy2 117.1(3) . 3_566 ?
C14 O4 Dy1 135.2(9) . . ?
N1 O7 Dy1 121.3(7) . 3_666 ?
N1 O7 Dy1 122.3(7) . . ?
Dy1 O7 Dy1 116.4(3) 3_666 . ?
C24 O5 Dy1 137.4(10) . . ?
C64 O12 Dy2 141.5(8) . . ?
C52 O11 Dy2 132.5(8) . . ?
C38 N2 C39 121.9(10) . . ?
C38 N2 O14 121.3(10) . . ?
C39 N2 O14 116.8(9) . . ?
C62 O13 Dy2 135.1(9) . . ?
C12 O3 Dy1 132.0(9) . . ?
C2 O1 Dy1 131.0(9) . . ?
C4 O2 Dy1 134.7(9) . . ?
C44 O9 Dy2 132.9(9) . . ?
C22 O6 Dy1 127.6(14) . . ?
C54 O10 Dy2 138.5(9) . . ?
C33 N1 C31 123.0(9) . . ?
C33 N1 O7 120.2(10) . . ?
C31 N1 O7 116.8(9) . . ?
C42 O8 Dy2 129.5(10) . . ?
F3 C1 F2 117(3) . . ?
F3 C1 F1 113(3) . . ?
F2 C1 F1 102(3) . . ?
F3 C1 C2 109(3) . . ?
F2 C1 C2 111(2) . . ?
F1 C1 C2 105(2) . . ?
O1 C2 C3 130.9(15) . . ?
O1 C2 C1 105.6(15) . . ?
C3 C2 C1 123.2(17) . . ?
C2 C3 C4 121.9(15) . . ?
C2 C3 H3 119.1 . . ?
C4 C3 H3 119.1 . . ?
O2 C4 C3 120.7(14) . . ?
O2 C4 C5 118.2(13) . . ?
C3 C4 C5 121.1(14) . . ?
C6 C5 C10 119.9(15) . . ?
C6 C5 C4 118.8(16) . . ?
C10 C5 C4 121.2(14) . . ?
C5 C6 C7 123.3(19) . . ?
C5 C6 H6 118.4 . . ?
C7 C6 H6 118.4 . . ?
C6 C7 C8 115.4(18) . . ?
C6 C7 H7 122.3 . . ?
C8 C7 H7 122.3 . . ?
C9 C8 C7 120.5(19) . . ?
C9 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
C8 C9 C10 124(2) . . ?
C8 C9 H9 117.9 . . ?
C10 C9 H9 117.9 . . ?
C9 C10 C5 116.7(18) . . ?
C9 C10 H10 121.7 . . ?
C5 C10 H10 121.7 . . ?
F6 C11 F5 107(3) . . ?
F6 C11 F4 115(3) . . ?
F5 C11 F4 104(2) . . ?
F6 C11 C12 115.5(17) . . ?
F5 C11 C12 106(2) . . ?
F4 C11 C12 108(2) . . ?
O3 C12 C13 129.0(14) . . ?
O3 C12 C11 112.4(13) . . ?
C13 C12 C11 118.6(13) . . ?
C12 C13 C14 120.5(13) . . ?
C12 C13 H13 119.8 . . ?
C14 C13 H13 119.8 . . ?
O4 C14 C13 124.3(12) . . ?
O4 C14 C15 117.4(12) . . ?
C13 C14 C15 118.2(12) . . ?
C16 C15 C20 115.3(14) . . ?
C16 C15 C14 121.1(13) . . ?
C20 C15 C14 122.6(14) . . ?
C15 C16 C17 124.7(17) . . ?
C15 C16 H16 117.6 . . ?
C17 C16 H16 117.6 . . ?
C18 C17 C16 118(2) . . ?
C18 C17 H17 120.8 . . ?
C16 C17 H17 120.8 . . ?
C17 C18 C19 121.8(18) . . ?
C17 C18 H18 119.1 . . ?
C19 C18 H18 119.1 . . ?
C18 C19 C20 119.7(18) . . ?
C18 C19 H19 120.1 . . ?
C20 C19 H19 120.1 . . ?
C15 C20 C19 118.8(17) . . ?
C15 C20 H20 120.6 . . ?
C19 C20 H20 120.6 . . ?
F7 C21 F8 107(3) . . ?
F7 C21 C22 124(3) . . ?
F8 C21 C22 126(3) . . ?
F7 C21 F9 94(3) . . ?
F8 C21 F9 86(2) . . ?
C22 C21 F9 105(2) . . ?
C23 C22 O6 135(2) . . ?
C23 C22 C21 126(3) . . ?
O6 C22 C21 99(2) . . ?
C22 C23 C24 123(2) . . ?
C22 C23 H23 118.6 . . ?
C24 C23 H23 118.6 . . ?
O5 C24 C23 123.1(16) . . ?
O5 C24 C25 117.1(17) . . ?
C23 C24 C25 119.7(19) . . ?
C26 C25 C30 120.0 . . ?
C26 C25 C24 123.6(14) . . ?
C30 C25 C24 116.3(15) . . ?
C25 C26 C27 120.0 . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
C28 C27 C26 120.0 . . ?
C28 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
C27 C28 C29 120.0 . . ?
C27 C28 H28 120.0 . . ?
C29 C28 H28 120.0 . . ?
C30 C29 C28 120.0 . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C29 C30 C25 120.0 . . ?
C29 C30 H30 120.0 . . ?
C25 C30 H30 120.0 . . ?
N1 C31 C32 119.0(11) . . ?
N1 C31 H31 120.5 . . ?
C32 C31 H31 120.5 . . ?
C31 C32 C35 120.1(12) . . ?
C31 C32 H32 119.9 . . ?
C35 C32 H32 119.9 . . ?
N1 C33 C34 119.0(11) . . ?
N1 C33 H33 120.5 . . ?
C34 C33 H33 120.5 . . ?
C35 C34 C33 121.3(12) . . ?
C35 C34 H34 119.3 . . ?
C33 C34 H34 119.3 . . ?
C34 C35 C32 117.6(10) . . ?
C34 C35 C36 124.0(12) . . ?
C32 C35 C36 118.2(11) . . ?
C40 C36 C37 117.4(10) . . ?
C40 C36 C35 120.7(11) . . ?
C37 C36 C35 121.9(11) . . ?
C38 C37 C36 119.6(12) . . ?
C38 C37 H37 120.2 . . ?
C36 C37 H37 120.2 . . ?
N2 C38 C37 121.3(12) . . ?
N2 C38 H38 119.4 . . ?
C37 C38 H38 119.4 . . ?
N2 C39 C40 118.6(11) . . ?
N2 C39 H39 120.7 . . ?
C40 C39 H39 120.7 . . ?
C36 C40 C39 120.9(12) . . ?
C36 C40 H40 119.5 . . ?
C39 C40 H40 119.5 . . ?
F11 C41 F12 114(3) . . ?
F11 C41 F10 100(2) . . ?
F12 C41 F10 98(2) . . ?
F11 C41 C42 118(2) . . ?
F12 C41 C42 118(2) . . ?
F10 C41 C42 104(2) . . ?
O8 C42 C43 129.8(14) . . ?
O8 C42 C41 111.9(15) . . ?
C43 C42 C41 118.2(17) . . ?
C42 C43 C44 122.0(14) . . ?
C42 C43 H43 119.0 . . ?
C44 C43 H43 119.0 . . ?
O9 C44 C43 121.4(13) . . ?
O9 C44 C45 115.3(13) . . ?
C43 C44 C45 123.2(14) . . ?
C50 C45 C46 116.6(15) . . ?
C50 C45 C44 119.8(15) . . ?
C46 C45 C44 122.9(14) . . ?
C47 C46 C45 120.7(17) . . ?
C47 C46 H46 119.6 . . ?
C45 C46 H46 119.6 . . ?
C46 C47 C48 120(2) . . ?
C46 C47 H47 119.8 . . ?
C48 C47 H47 119.8 . . ?
C49 C48 C47 118(2) . . ?
C49 C48 H48 121.0 . . ?
C47 C48 H48 121.0 . . ?
C50 C49 C48 117(2) . . ?
C50 C49 H49 121.5 . . ?
C48 C49 H49 121.5 . . ?
C45 C50 C49 127(2) . . ?
C45 C50 H50 116.4 . . ?
C49 C50 H50 116.4 . . ?
F14 C51 F15 109(2) . . ?
F14 C51 F13 103(2) . . ?
F15 C51 F13 102(2) . . ?
F14 C51 C52 116(2) . . ?
F15 C51 C52 113.5(18) . . ?
F13 C51 C52 111.2(18) . . ?
C53 C52 O11 128.3(13) . . ?
C53 C52 C51 121.2(15) . . ?
O11 C52 C51 110.2(14) . . ?
C52 C53 C54 121.9(16) . . ?
C52 C53 H53 119.1 . . ?
C54 C53 H53 119.1 . . ?
O10 C54 C53 125.1(14) . . ?
O10 C54 C55 109.9(12) . . ?
C53 C54 C55 124.1(14) . . ?
C54 C55 C56 131.5(16) . . ?
C54 C55 C60 122.9(14) . . ?
C56 C55 C60 105.6(17) . . ?
C57 C56 C55 131(2) . . ?
C57 C56 H56 114.4 . . ?
C55 C56 H56 114.4 . . ?
C56 C57 C58 117(2) . . ?
C56 C57 H57 121.5 . . ?
C58 C57 H57 121.5 . . ?
C57 C58 C59 125(3) . . ?
C57 C58 H58 117.7 . . ?
C59 C58 H58 117.7 . . ?
C58 C59 C60 112(2) . . ?
C58 C59 H59 123.9 . . ?
C60 C59 H59 123.9 . . ?
C59 C60 C55 129(2) . . ?
C59 C60 H60 115.6 . . ?
C55 C60 H60 115.6 . . ?
F18 C61 F17 110(2) . . ?
F18 C61 F16 103.7(18) . . ?
F17 C61 F16 105(2) . . ?
F18 C61 C62 113(2) . . ?
F17 C61 C62 114.8(18) . . ?
F16 C61 C62 109.8(18) . . ?
O13 C62 C63 127.3(16) . . ?
O13 C62 C61 112.7(14) . . ?
C63 C62 C61 119.7(17) . . ?
C62 C63 C64 124.6(15) . . ?
C62 C63 H63 117.7 . . ?
C64 C63 H63 117.7 . . ?
O12 C64 C63 120.5(12) . . ?
O12 C64 C65 117.3(14) . . ?
C63 C64 C65 122.1(15) . . ?
C66 C65 C70 114.6(15) . . ?
C66 C65 C64 120.8(16) . . ?
C70 C65 C64 124.4(17) . . ?
C65 C66 C67 121.9(18) . . ?
C65 C66 H66 119.0 . . ?
C67 C66 H66 119.0 . . ?
C68 C67 C66 120(2) . . ?
C68 C67 H67 120.0 . . ?
C66 C67 H67 120.0 . . ?
C69 C68 C67 121(2) . . ?
C69 C68 H68 119.3 . . ?
C67 C68 H68 119.3 . . ?
C68 C69 C70 118(2) . . ?
C68 C69 H69 121.2 . . ?
C70 C69 H69 121.2 . . ?
C69 C70 C65 124(2) . . ?
C69 C70 H70 118.0 . . ?
C65 C70 H70 118.0 . . ?

_refine_diff_density_max         1.648
_refine_diff_density_min         -1.276
_refine_diff_density_rms         0.167

