# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2017

####################################################################### 
# 
# 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 1411821'
_audit_update_record             
;
2015-07-09 deposited with the CCDC.
2016-12-28 downloaded from the CCDC.
;
_audit_creation_date             2014-11-20
_audit_creation_method           
;
  Olex2 1.2
  (compiled Dec  5 2012 16:20:19, GUI svn.r4385)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C48 H38 Dy2 F12 O14 S4'
_chemical_formula_sum            'C48 H38 Dy2 F12 O14 S4'
_chemical_formula_weight         1520.02
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   10.9116(4)
_cell_length_b                   11.0698(5)
_cell_length_c                   13.0230(5)
_cell_angle_alpha                71.207(4)
_cell_angle_beta                 76.793(3)
_cell_angle_gamma                67.239(4)
_cell_volume                     1363.46(9)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    4973
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.0643
_cell_measurement_theta_min      2.9659
_exptl_absorpt_coefficient_mu    2.976
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.73205
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.851
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             742
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_av_unetI/netI     0.0417
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10673
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         29.13
_diffrn_reflns_theta_min         2.97
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.1954
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.841
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   36.00   84.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       18.0103  178.0000   90.0000 48

#__ type_ start__ end____ width___ exp.time_
  2 omega  -31.00   40.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       18.0103  -77.0000  -60.0000 71

#__ type_ start__ end____ width___ exp.time_
  3 omega  -45.00   52.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.1040   38.0000 -150.0000 97

#__ type_ start__ end____ width___ exp.time_
  4 omega  -20.00    9.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.1040  -99.0000 -150.0000 29

#__ type_ start__ end____ width___ exp.time_
  5 omega  -84.00    6.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.1040  -38.0000   30.0000 90

#__ type_ start__ end____ width___ exp.time_
  6 omega  -24.00   21.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.1040  -99.0000   30.0000 45
;
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0580457000
_diffrn_orient_matrix_UB_12      -0.0188685000
_diffrn_orient_matrix_UB_13      0.0185823000
_diffrn_orient_matrix_UB_21      0.0026796000
_diffrn_orient_matrix_UB_22      0.0004201000
_diffrn_orient_matrix_UB_23      0.0537876000
_diffrn_orient_matrix_UB_31      -0.0407949000
_diffrn_orient_matrix_UB_32      0.0694503000
_diffrn_orient_matrix_UB_33      -0.0109115000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                5471
_reflns_number_total             6167
_reflns_odcompleteness_completeness 99.73
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'SUPERFLIP, J. Appl. Cryst. (2007) 40, 786-790'
_refine_diff_density_max         1.845
_refine_diff_density_min         -1.256
_refine_diff_density_rms         0.144
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         6167
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0504
_refine_ls_R_factor_gt           0.0414
_refine_ls_restrained_S_all      1.095
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0543P)²+4.0999P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1082
_refine_ls_wR_factor_ref         0.1182
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  H11 of C11, H7 of C7, H15 of C15, H23 of C23, H22 of C22, H16 of C16, H19
  of C19, H5 of C5, {H14A,H14B} of C14, {H24A,H24B} of C24, H6 of C6
 At 1.5 times of:
  {H8A,H8B,H8C} of C8, {H1A,H1B,H1C} of C1
2.a Secondary CH2 refined with riding coordinates:
 C24(H24A,H24B), C14(H14A,H14B)
2.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C15(H15), C19(H19), C7(H7), C11(H11), C23(H23), C22(H22),
 C16(H16)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C8(H8A,H8B,H8C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.08113(2) 0.06402(2) 0.356088(18) 0.03193(9) Uani 1 1 d . . .
S1 S 0.1457(2) 0.2772(2) 0.61357(16) 0.0715(5) Uani 1 1 d . . .
S2 S -0.0877(4) -0.1580(4) 0.0550(3) 0.1067(10) Uani 1 1 d . . .
F1 F 0.2416(9) 0.5019(7) 0.0776(4) 0.128(3) Uani 1 1 d . . .
O4 O 0.0876(4) 0.2256(4) 0.4300(3) 0.0410(9) Uani 1 1 d . . .
F5 F 0.3806(7) -0.3572(9) 0.1460(10) 0.183(5) Uani 1 1 d . . .
C24 C -0.2504(4) 0.0407(5) 0.1555(4) 0.0270(10) Uani 1 1 d . . .
H24A H -0.2895 0.0232 0.2312 0.032 Uiso 1 1 calc R . .
H24B H -0.2526 0.1340 0.1294 0.032 Uiso 1 1 calc R . .
O5 O 0.1666(4) 0.2080(4) 0.2141(3) 0.0446(9) Uani 1 1 d . . .
O3 O -0.1143(3) 0.0739(4) 0.4721(3) 0.0332(7) Uani 1 1 d . . .
O6 O 0.2348(4) -0.1111(5) 0.2870(4) 0.0530(11) Uani 1 1 d . . .
O2 O -0.1311(4) 0.2630(4) 0.2859(3) 0.0439(9) Uani 1 1 d . . .
F3 F 0.3551(7) 0.3030(8) 0.0597(5) 0.129(3) Uani 1 1 d . . .
F2 F 0.1615(7) 0.3960(7) 0.0188(4) 0.109(2) Uani 1 1 d . . .
F4 F 0.4622(5) -0.2194(7) 0.1537(6) 0.106(2) Uani 1 1 d . . .
O7 O -0.0242(4) 0.0080(5) 0.2504(4) 0.0466(10) Uani 1 1 d . . .
O1 O -0.3237(4) 0.0107(4) 0.5930(3) 0.0453(10) Uani 1 1 d . . .
C14 C 0.1945(6) 0.4872(7) 0.4677(6) 0.0506(15) Uani 1 1 d . . .
H14A H 0.2771 0.4819 0.4189 0.061 Uiso 1 1 calc R . .
H14B H 0.1252 0.5711 0.4383 0.061 Uiso 1 1 calc R . .
C5 C -0.4741(6) 0.1854(8) 0.4620(6) 0.0605(19) Uani 1 1 d . . .
H5 H -0.5498 0.1674 0.5029 0.073 Uiso 1 1 calc R . .
C3 C -0.2357(5) 0.1424(6) 0.4371(4) 0.0346(11) Uani 1 1 d . . .
C6 C -0.4834(7) 0.2840(9) 0.3636(7) 0.070(2) Uani 1 1 d . . .
H6 H -0.5667 0.3314 0.3384 0.083 Uiso 1 1 calc R . .
C13 C 0.1555(6) 0.3706(6) 0.4810(5) 0.0421(12) Uani 1 1 d . . .
C1 C -0.1392(8) 0.3517(9) 0.1775(6) 0.072(2) Uani 1 1 d . . .
H1A H -0.0516 0.3537 0.1445 0.109 Uiso 1 1 calc R . .
H1B H -0.1975 0.4415 0.1809 0.109 Uiso 1 1 calc R . .
H1C H -0.1741 0.3191 0.1345 0.109 Uiso 1 1 calc R . .
C21 C -0.1051(7) -0.0626(7) 0.1388(5) 0.0511(15) Uani 1 1 d . . .
C2 C -0.2500(6) 0.2427(6) 0.3396(5) 0.0395(12) Uani 1 1 d . . .
C12 C 0.1325(5) 0.3219(6) 0.3983(5) 0.0364(11) Uani 1 1 d . . .
C15 C 0.2126(10) 0.4804(11) 0.5761(9) 0.088(3) Uani 1 1 d . . .
H15 H 0.2368 0.5452 0.5897 0.105 Uiso 1 1 calc R . .
C19 C 0.1353(7) -0.1698(8) 0.1785(6) 0.0566(17) Uani 1 1 d . . .
H19 H 0.1505 -0.2291 0.1364 0.068 Uiso 1 1 calc R . .
C20 C 0.0040(6) -0.0721(7) 0.1919(5) 0.0447(13) Uani 1 1 d . . .
C7 C -0.3742(7) 0.3140(7) 0.3022(6) 0.0590(18) Uani 1 1 d . . .
H7 H -0.3830 0.3810 0.2365 0.071 Uiso 1 1 calc R . .
C4 C -0.3490(5) 0.1142(6) 0.4982(5) 0.0406(12) Uani 1 1 d . . .
C10 C 0.1846(6) 0.3183(6) 0.2078(5) 0.0439(13) Uani 1 1 d . . .
C18 C 0.2364(6) -0.1776(7) 0.2253(6) 0.0505(15) Uani 1 1 d . . .
C11 C 0.1694(6) 0.3792(6) 0.2863(5) 0.0445(13) Uani 1 1 d . . .
H11 H 0.1835 0.4617 0.2667 0.053 Uiso 1 1 calc R . .
C8 C -0.4361(7) 0.0068(9) 0.6744(6) 0.0618(19) Uani 1 1 d . . .
H8A H -0.4063 -0.0617 0.7396 0.093 Uiso 1 1 calc R . .
H8B H -0.4988 -0.0139 0.6478 0.093 Uiso 1 1 calc R . .
H8C H -0.4787 0.0935 0.6906 0.093 Uiso 1 1 calc R . .
C9 C 0.2351(10) 0.3828(9) 0.0908(6) 0.068(2) Uani 1 1 d . . .
C23 C -0.3170(9) 0.0067(11) 0.0844(8) 0.079(3) Uani 1 1 d . . .
H23 H -0.4077 0.0509 0.0772 0.095 Uiso 1 1 calc R . .
C17 C 0.3756(8) -0.2820(9) 0.2048(9) 0.077(2) Uani 1 1 d . . .
C22 C -0.2431(10) -0.0878(10) 0.0323(8) 0.080(3) Uani 1 1 d . . .
H22 H -0.2780 -0.1120 -0.0138 0.097 Uiso 1 1 calc R . .
C16 C 0.1927(11) 0.3765(12) 0.6554(8) 0.090(3) Uani 1 1 d . . .
H16 H 0.2041 0.3611 0.7276 0.108 Uiso 1 1 calc R . .
F6 F 0.4237(7) -0.3591(7) 0.2953(7) 0.137(3) Uani 1 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy1 3.8315(5) 2_556 ?
Dy1 O4 2.317(4) . ?
Dy1 O5 2.300(4) . ?
Dy1 O3 2.283(3) 2_556 ?
Dy1 O3 2.301(3) . ?
Dy1 O6 2.301(4) . ?
Dy1 O2 2.602(4) . ?
Dy1 O7 2.329(4) . ?
Dy1 O1 2.624(4) 2_556 ?
S1 C13 1.707(6) . ?
S1 C16 1.648(10) . ?
S2 C21 1.684(7) . ?
S2 C22 1.621(10) . ?
F1 C9 1.301(9) . ?
O4 C12 1.255(7) . ?
F5 C17 1.279(11) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 C21 1.571(8) . ?
C24 C23 1.507(10) . ?
O5 C10 1.285(7) . ?
O3 Dy1 2.283(3) 2_556 ?
O3 C3 1.346(6) . ?
O6 C18 1.247(8) . ?
O2 C1 1.436(7) . ?
O2 C2 1.390(7) . ?
F3 C9 1.324(11) . ?
F2 C9 1.308(10) . ?
F4 C17 1.318(11) . ?
O7 C20 1.256(7) . ?
O1 Dy1 2.624(4) 2_556 ?
O1 C4 1.383(7) . ?
O1 C8 1.432(7) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C13 1.457(9) . ?
C14 C15 1.445(12) . ?
C5 H5 0.9300 . ?
C5 C6 1.384(11) . ?
C5 C4 1.388(8) . ?
C3 C2 1.385(8) . ?
C3 C4 1.396(8) . ?
C6 H6 0.9300 . ?
C6 C7 1.367(11) . ?
C13 C12 1.455(8) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C21 C20 1.462(9) . ?
C2 C7 1.387(8) . ?
C12 C11 1.424(8) . ?
C15 H15 0.9300 . ?
C15 C16 1.327(14) . ?
C19 H19 0.9300 . ?
C19 C20 1.435(9) . ?
C19 C18 1.341(10) . ?
C7 H7 0.9300 . ?
C10 C11 1.343(9) . ?
C10 C9 1.534(9) . ?
C18 C17 1.539(10) . ?
C11 H11 0.9300 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C23 H23 0.9300 . ?
C23 C22 1.326(13) . ?
C17 F6 1.297(12) . ?
C22 H22 0.9300 . ?
C16 H16 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 Dy1 83.03(10) . 2_556 ?
O4 Dy1 O2 80.58(14) . . ?
O4 Dy1 O7 148.24(15) . . ?
O4 Dy1 O1 72.04(14) . 2_556 ?
O5 Dy1 Dy1 157.26(10) . 2_556 ?
O5 Dy1 O4 74.46(14) . . ?
O5 Dy1 O3 138.26(14) . . ?
O5 Dy1 O6 87.13(16) . . ?
O5 Dy1 O2 76.37(14) . . ?
O5 Dy1 O7 96.33(15) . . ?
O5 Dy1 O1 79.38(14) . 2_556 ?
O3 Dy1 Dy1 33.45(8) 2_556 2_556 ?
O3 Dy1 Dy1 33.15(8) . 2_556 ?
O3 Dy1 O4 83.58(14) 2_556 . ?
O3 Dy1 O4 84.78(13) . . ?
O3 Dy1 O5 142.73(14) 2_556 . ?
O3 Dy1 O3 66.59(14) 2_556 . ?
O3 Dy1 O6 88.70(15) 2_556 . ?
O3 Dy1 O6 130.42(15) . . ?
O3 Dy1 O2 64.60(12) . . ?
O3 Dy1 O2 129.66(12) 2_556 . ?
O3 Dy1 O7 82.59(14) . . ?
O3 Dy1 O7 117.20(15) 2_556 . ?
O3 Dy1 O1 128.12(12) . 2_556 ?
O3 Dy1 O1 65.20(12) 2_556 2_556 ?
O6 Dy1 Dy1 112.08(13) . 2_556 ?
O6 Dy1 O4 136.55(15) . . ?
O6 Dy1 O2 133.30(15) . . ?
O6 Dy1 O7 71.28(15) . . ?
O6 Dy1 O1 65.97(15) . 2_556 ?
O2 Dy1 Dy1 97.05(9) . 2_556 ?
O2 Dy1 O1 147.35(14) . 2_556 ?
O7 Dy1 Dy1 101.24(11) . 2_556 ?
O7 Dy1 O2 67.67(14) . . ?
O7 Dy1 O1 137.17(14) . 2_556 ?
O1 Dy1 Dy1 96.94(9) 2_556 2_556 ?
C16 S1 C13 92.4(4) . . ?
C22 S2 C21 93.5(5) . . ?
C12 O4 Dy1 136.4(4) . . ?
H24A C24 H24B 109.7 . . ?
C21 C24 H24A 112.0 . . ?
C21 C24 H24B 112.0 . . ?
C23 C24 H24A 112.0 . . ?
C23 C24 H24B 112.0 . . ?
C23 C24 C21 98.8(5) . . ?
C10 O5 Dy1 131.9(4) . . ?
Dy1 O3 Dy1 113.41(14) 2_556 . ?
C3 O3 Dy1 122.3(3) . . ?
C3 O3 Dy1 123.9(3) . 2_556 ?
C18 O6 Dy1 136.8(4) . . ?
C1 O2 Dy1 125.7(4) . . ?
C2 O2 Dy1 113.3(3) . . ?
C2 O2 C1 115.2(5) . . ?
C20 O7 Dy1 139.2(4) . . ?
C4 O1 Dy1 113.6(3) . 2_556 ?
C4 O1 C8 116.1(5) . . ?
C8 O1 Dy1 122.1(4) . 2_556 ?
H14A C14 H14B 108.8 . . ?
C13 C14 H14A 110.7 . . ?
C13 C14 H14B 110.7 . . ?
C15 C14 H14A 110.7 . . ?
C15 C14 H14B 110.7 . . ?
C15 C14 C13 105.1(7) . . ?
C6 C5 H5 120.8 . . ?
C6 C5 C4 118.5(6) . . ?
C4 C5 H5 120.8 . . ?
O3 C3 C2 120.3(5) . . ?
O3 C3 C4 120.9(5) . . ?
C2 C3 C4 118.9(5) . . ?
C5 C6 H6 118.9 . . ?
C7 C6 C5 122.1(6) . . ?
C7 C6 H6 118.9 . . ?
C14 C13 S1 112.6(5) . . ?
C12 C13 S1 118.0(5) . . ?
C12 C13 C14 129.3(6) . . ?
O2 C1 H1A 109.5 . . ?
O2 C1 H1B 109.5 . . ?
O2 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C24 C21 S2 114.2(4) . . ?
C20 C21 S2 124.0(5) . . ?
C20 C21 C24 121.8(5) . . ?
C3 C2 O2 114.1(5) . . ?
C3 C2 C7 121.0(6) . . ?
C7 C2 O2 124.9(6) . . ?
O4 C12 C13 117.9(5) . . ?
O4 C12 C11 123.1(5) . . ?
C11 C12 C13 118.9(5) . . ?
C14 C15 H15 121.9 . . ?
C16 C15 C14 116.2(7) . . ?
C16 C15 H15 121.9 . . ?
C20 C19 H19 119.3 . . ?
C18 C19 H19 119.3 . . ?
C18 C19 C20 121.5(6) . . ?
O7 C20 C21 116.5(6) . . ?
O7 C20 C19 122.4(6) . . ?
C19 C20 C21 121.1(6) . . ?
C6 C7 C2 118.8(6) . . ?
C6 C7 H7 120.6 . . ?
C2 C7 H7 120.6 . . ?
O1 C4 C5 125.0(6) . . ?
O1 C4 C3 114.4(5) . . ?
C5 C4 C3 120.7(6) . . ?
O5 C10 C11 130.1(6) . . ?
O5 C10 C9 111.5(6) . . ?
C11 C10 C9 118.3(6) . . ?
O6 C18 C19 128.7(6) . . ?
O6 C18 C17 112.5(6) . . ?
C19 C18 C17 118.7(7) . . ?
C12 C11 H11 118.8 . . ?
C10 C11 C12 122.4(6) . . ?
C10 C11 H11 118.8 . . ?
O1 C8 H8A 109.5 . . ?
O1 C8 H8B 109.5 . . ?
O1 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
F1 C9 F3 108.2(8) . . ?
F1 C9 F2 107.1(7) . . ?
F1 C9 C10 114.0(7) . . ?
F3 C9 C10 110.6(7) . . ?
F2 C9 F3 103.7(8) . . ?
F2 C9 C10 112.6(6) . . ?
C24 C23 H23 120.8 . . ?
C22 C23 C24 118.3(8) . . ?
C22 C23 H23 120.8 . . ?
F5 C17 F4 106.2(9) . . ?
F5 C17 C18 114.7(8) . . ?
F5 C17 F6 108.7(9) . . ?
F4 C17 C18 110.1(7) . . ?
F6 C17 F4 104.6(8) . . ?
F6 C17 C18 111.9(8) . . ?
S2 C22 H22 122.4 . . ?
C23 C22 S2 115.2(7) . . ?
C23 C22 H22 122.4 . . ?
S1 C16 H16 123.2 . . ?
C15 C16 S1 113.6(7) . . ?
C15 C16 H16 123.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 Dy1 O4 C12 176.2(5) 2_556 . . . ?
Dy1 Dy1 O5 C10 4.0(7) 2_556 . . . ?
Dy1 Dy1 O3 C3 -172.7(5) 2_556 . . . ?
Dy1 Dy1 O6 C18 97.1(7) 2_556 . . . ?
Dy1 Dy1 O2 C1 -177.2(6) 2_556 . . . ?
Dy1 Dy1 O2 C2 -25.7(4) 2_556 . . . ?
Dy1 Dy1 O7 C20 -111.8(6) 2_556 . . . ?
Dy1 O4 C12 C13 -159.6(4) . . . . ?
Dy1 O4 C12 C11 16.3(9) . . . . ?
Dy1 O5 C10 C11 6.6(10) . . . . ?
Dy1 O5 C10 C9 -175.4(5) . . . . ?
Dy1 O3 C3 C2 168.0(4) 2_556 . . . ?
Dy1 O3 C3 C2 -20.2(7) . . . . ?
Dy1 O3 C3 C4 -11.8(7) 2_556 . . . ?
Dy1 O3 C3 C4 160.1(4) . . . . ?
Dy1 O6 C18 C19 -3.4(13) . . . . ?
Dy1 O6 C18 C17 177.5(6) . . . . ?
Dy1 O2 C2 C3 16.6(6) . . . . ?
Dy1 O2 C2 C7 -163.5(5) . . . . ?
Dy1 O7 C20 C21 -178.4(4) . . . . ?
Dy1 O7 C20 C19 2.6(11) . . . . ?
Dy1 O1 C4 C5 -170.1(6) 2_556 . . . ?
Dy1 O1 C4 C3 11.2(6) 2_556 . . . ?
S1 C13 C12 O4 10.3(7) . . . . ?
S1 C13 C12 C11 -165.9(5) . . . . ?
S2 C21 C20 O7 178.6(5) . . . . ?
S2 C21 C20 C19 -2.4(9) . . . . ?
O4 Dy1 O5 C10 -4.4(5) . . . . ?
O4 Dy1 O3 Dy1 -85.25(17) . . . 2_556 ?
O4 Dy1 O3 C3 102.1(4) . . . . ?
O4 Dy1 O6 C18 -159.1(6) . . . . ?
O4 Dy1 O2 C1 101.1(6) . . . . ?
O4 Dy1 O2 C2 -107.4(4) . . . . ?
O4 Dy1 O7 C20 153.3(6) . . . . ?
O4 C12 C11 C10 -13.7(9) . . . . ?
C24 C21 C20 O7 -1.0(9) . . . . ?
C24 C21 C20 C19 178.1(6) . . . . ?
C24 C23 C22 S2 1.3(12) . . . . ?
O5 Dy1 O4 C12 -7.1(5) . . . . ?
O5 Dy1 O3 Dy1 -144.82(17) . . . 2_556 ?
O5 Dy1 O3 C3 42.5(5) . . . . ?
O5 Dy1 O6 C18 -95.4(7) . . . . ?
O5 Dy1 O2 C1 25.0(6) . . . . ?
O5 Dy1 O2 C2 176.4(4) . . . . ?
O5 Dy1 O7 C20 82.7(7) . . . . ?
O5 C10 C11 C12 2.6(11) . . . . ?
O5 C10 C9 F1 173.2(7) . . . . ?
O5 C10 C9 F3 -64.6(9) . . . . ?
O5 C10 C9 F2 51.0(9) . . . . ?
O3 Dy1 O4 C12 142.5(5) 2_556 . . . ?
O3 Dy1 O4 C12 -150.5(5) . . . . ?
O3 Dy1 O5 C10 -60.5(6) 2_556 . . . ?
O3 Dy1 O5 C10 58.6(6) . . . . ?
O3 Dy1 O3 Dy1 0.0 2_556 . . 2_556 ?
O3 Dy1 O3 C3 -172.7(5) 2_556 . . . ?
O3 Dy1 O6 C18 64.4(7) . . . . ?
O3 Dy1 O6 C18 121.7(7) 2_556 . . . ?
O3 Dy1 O2 C1 174.6(5) 2_556 . . . ?
O3 Dy1 O2 C1 -170.2(6) . . . . ?
O3 Dy1 O2 C2 -34.0(4) 2_556 . . . ?
O3 Dy1 O2 C2 -18.8(3) . . . . ?
O3 Dy1 O7 C20 -80.5(7) 2_556 . . . ?
O3 Dy1 O7 C20 -139.3(7) . . . . ?
O3 C3 C2 O2 -0.2(8) . . . . ?
O3 C3 C2 C7 179.8(6) . . . . ?
O3 C3 C4 O1 -1.5(8) . . . . ?
O3 C3 C4 C5 179.8(6) . . . . ?
O6 Dy1 O4 C12 61.2(6) . . . . ?
O6 Dy1 O5 C10 -144.6(5) . . . . ?
O6 Dy1 O3 Dy1 66.4(2) . . . 2_556 ?
O6 Dy1 O3 C3 -106.3(4) . . . . ?
O6 Dy1 O2 C1 -47.6(6) . . . . ?
O6 Dy1 O2 C2 103.8(4) . . . . ?
O6 Dy1 O7 C20 -2.1(6) . . . . ?
O6 C18 C17 F5 176.8(9) . . . . ?
O6 C18 C17 F4 -63.4(10) . . . . ?
O6 C18 C17 F6 52.4(10) . . . . ?
O2 Dy1 O4 C12 -85.4(5) . . . . ?
O2 Dy1 O5 C10 79.4(5) . . . . ?
O2 Dy1 O3 Dy1 -167.3(2) . . . 2_556 ?
O2 Dy1 O3 C3 20.0(4) . . . . ?
O2 Dy1 O6 C18 -27.2(8) . . . . ?
O2 Dy1 O7 C20 155.2(7) . . . . ?
O2 C2 C7 C6 -179.7(7) . . . . ?
O7 Dy1 O4 C12 -83.7(6) . . . . ?
O7 Dy1 O5 C10 144.6(5) . . . . ?
O7 Dy1 O3 Dy1 123.96(19) . . . 2_556 ?
O7 Dy1 O3 C3 -48.7(4) . . . . ?
O7 Dy1 O6 C18 2.3(7) . . . . ?
O7 Dy1 O2 C1 -77.9(6) . . . . ?
O7 Dy1 O2 C2 73.6(4) . . . . ?
O1 Dy1 O4 C12 76.5(5) 2_556 . . . ?
O1 Dy1 O5 C10 -78.5(5) 2_556 . . . ?
O1 Dy1 O3 Dy1 -23.0(2) 2_556 . . 2_556 ?
O1 Dy1 O3 C3 164.4(3) 2_556 . . . ?
O1 Dy1 O6 C18 -175.0(7) 2_556 . . . ?
O1 Dy1 O2 C1 68.1(6) 2_556 . . . ?
O1 Dy1 O2 C2 -140.5(3) 2_556 . . . ?
O1 Dy1 O7 C20 1.5(8) 2_556 . . . ?
C14 C13 C12 O4 -173.7(6) . . . . ?
C14 C13 C12 C11 10.2(9) . . . . ?
C14 C15 C16 S1 -1.9(13) . . . . ?
C5 C6 C7 C2 0.4(13) . . . . ?
C3 C2 C7 C6 0.2(11) . . . . ?
C6 C5 C4 O1 -178.1(7) . . . . ?
C6 C5 C4 C3 0.5(11) . . . . ?
C13 S1 C16 C15 1.8(9) . . . . ?
C13 C14 C15 C16 0.9(11) . . . . ?
C13 C12 C11 C10 162.2(6) . . . . ?
C1 O2 C2 C3 171.2(6) . . . . ?
C1 O2 C2 C7 -8.9(9) . . . . ?
C21 S2 C22 C23 -0.8(9) . . . . ?
C21 C24 C23 C22 -1.0(10) . . . . ?
C2 C3 C4 O1 178.8(5) . . . . ?
C2 C3 C4 C5 0.0(9) . . . . ?
C15 C14 C13 S1 0.5(7) . . . . ?
C15 C14 C13 C12 -175.7(7) . . . . ?
C19 C18 C17 F5 -2.4(14) . . . . ?
C19 C18 C17 F4 117.3(9) . . . . ?
C19 C18 C17 F6 -126.9(9) . . . . ?
C20 C19 C18 O6 2.7(13) . . . . ?
C20 C19 C18 C17 -178.2(7) . . . . ?
C4 C5 C6 C7 -0.8(13) . . . . ?
C4 C3 C2 O2 179.5(5) . . . . ?
C4 C3 C2 C7 -0.4(9) . . . . ?
C18 C19 C20 O7 -2.2(11) . . . . ?
C18 C19 C20 C21 178.8(7) . . . . ?
C11 C10 C9 F1 -8.5(11) . . . . ?
C11 C10 C9 F3 113.7(8) . . . . ?
C11 C10 C9 F2 -130.8(8) . . . . ?
C8 O1 C4 C5 -20.9(9) . . . . ?
C8 O1 C4 C3 160.4(5) . . . . ?
C9 C10 C11 C12 -175.3(6) . . . . ?
C23 C24 C21 S2 0.4(6) . . . . ?
C23 C24 C21 C20 179.9(6) . . . . ?
C22 S2 C21 C24 0.2(6) . . . . ?
C22 S2 C21 C20 -179.3(6) . . . . ?
C16 S1 C13 C14 -1.3(6) . . . . ?
C16 S1 C13 C12 175.4(6) . . . . ?

####################################################################### 
# 
# 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 1411820'
_audit_update_record             
;
2015-07-09 deposited with the CCDC.
2016-12-28 downloaded from the CCDC.
;
_audit_creation_date             2014-11-13
_audit_creation_method           
;
  Olex2 1.2
  (compiled Dec  5 2012 16:20:19, GUI svn.r4385)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C56 H42 Dy2 F12 O14'
_chemical_formula_sum            'C56 H42 Dy2 F12 O14'
_chemical_formula_weight         1491.90
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   9.7688(6)
_cell_length_b                   12.7894(8)
_cell_length_c                   13.0685(8)
_cell_angle_alpha                113.112(6)
_cell_angle_beta                 105.241(5)
_cell_angle_gamma                99.434(5)
_cell_volume                     1381.69(14)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    4801
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.2099
_cell_measurement_theta_min      2.8616
_exptl_absorpt_coefficient_mu    2.790
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.47330
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.793
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             730
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0676
_diffrn_reflns_av_unetI/netI     0.0770
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11173
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         29.27
_diffrn_reflns_theta_min         2.87
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.1954
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.842
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -14.00   14.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       17.8540  -99.0000  -30.0000 28

#__ type_ start__ end____ width___ exp.time_
  2 omega  -44.00   51.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.1040   38.0000 -120.0000 95

#__ type_ start__ end____ width___ exp.time_
  3 omega  -44.00   29.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.1040   38.0000  120.0000 73

#__ type_ start__ end____ width___ exp.time_
  4 omega  -23.00    6.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.1040  -99.0000 -120.0000 29

#__ type_ start__ end____ width___ exp.time_
  5 omega  -17.00   23.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.1040  -99.0000   90.0000 40

#__ type_ start__ end____ width___ exp.time_
  6 omega  -89.00    9.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.1040  -77.0000  -30.0000 98

#__ type_ start__ end____ width___ exp.time_
  7 omega   12.00   47.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.1040   57.0000  120.0000 35
;
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0407155000
_diffrn_orient_matrix_UB_12      0.0377330000
_diffrn_orient_matrix_UB_13      0.0246504000
_diffrn_orient_matrix_UB_21      -0.0281635000
_diffrn_orient_matrix_UB_22      -0.0401317000
_diffrn_orient_matrix_UB_23      0.0199169000
_diffrn_orient_matrix_UB_31      0.0614549000
_diffrn_orient_matrix_UB_32      0.0310467000
_diffrn_orient_matrix_UB_33      0.0547601000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                5387
_reflns_number_total             6347
_reflns_odcompleteness_completeness 99.84
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'SUPERFLIP, J. Appl. Cryst. (2007) 40, 786-790'
_refine_diff_density_max         3.504
_refine_diff_density_min         -2.948
_refine_diff_density_rms         0.217
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         6347
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0699
_refine_ls_R_factor_gt           0.0581
_refine_ls_restrained_S_all      1.088
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0943P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1449
_refine_ls_wR_factor_ref         0.1627
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  H28 of C28, H3 of C3, H11 of C11, H5 of C5, H14 of C14, H26 of C26, H24 of
  C24, H18 of C18, H4 of C4, H25 of C25, H17 of C17, H21 of C21, H16 of C16,
  H15 of C15, H27 of C27
 At 1.5 times of:
  {H1A,H1B,H1C} of C1, {H8A,H8B,H8C} of C8
2.a Aromatic/amide H refined with riding coordinates:
 C28(H28), C3(H3), C11(H11), C5(H5), C14(H14), C26(H26), C24(H24), C18(H18),
 C4(H4), C25(H25), C21(H21), C16(H16), C15(H15), C17(H17), C27(H27)
2.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C8(H8A,H8B,H8C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.92970(3) 0.37926(2) 0.33897(2) 0.03131(13) Uani 1 1 d . . .
F5 F 1.1783(6) 1.1104(4) 0.9634(5) 0.0729(15) Uani 1 1 d . . .
F2 F 0.5107(6) 0.3756(7) -0.0556(5) 0.098(2) Uani 1 1 d . . .
F6 F 1.1467(8) 0.9866(5) 1.0315(5) 0.0892(19) Uani 1 1 d . . .
F3 F 0.4371(6) 0.3774(9) 0.0811(6) 0.130(3) Uani 1 1 d . . .
F4 F 1.3369(6) 1.0185(5) 0.9843(5) 0.093(2) Uani 1 1 d . . .
F1 F 0.5057(7) 0.2301(6) -0.0166(7) 0.116(3) Uani 1 1 d . . .
O1 O 0.6895(5) 0.2579(4) 0.3444(4) 0.0432(11) Uani 1 1 d . . .
O2 O 0.8127(5) 0.6157(4) 0.6825(4) 0.0429(11) Uani 1 1 d . . .
C19 C 1.1924(9) 1.0055(6) 0.9518(7) 0.0499(18) Uani 1 1 d . . .
C13 C 1.0400(8) 0.6347(6) 0.1779(6) 0.0446(16) Uani 1 1 d . . .
C1 C 0.5785(8) 0.1598(7) 0.2430(8) 0.066(3) Uani 1 1 d . . .
H1A H 0.4856 0.1775 0.2294 0.099 Uiso 1 1 calc R . .
H1B H 0.5681 0.0906 0.2560 0.099 Uiso 1 1 calc R . .
H1C H 0.6066 0.1447 0.1746 0.099 Uiso 1 1 calc R . .
C20 C 1.1105(7) 0.9042(6) 0.8256(6) 0.0385(14) Uani 1 1 d . . .
C23 C 0.8843(7) 0.8709(6) 0.5242(6) 0.0417(15) Uani 1 1 d . . .
C2 C 0.6442(7) 0.3208(6) 0.4354(6) 0.0396(15) Uani 1 1 d . . .
C7 C 0.7412(7) 0.4343(6) 0.5141(6) 0.0359(13) Uani 1 1 d . . .
C12 C 0.9403(7) 0.5416(6) 0.1891(6) 0.0386(14) Uani 1 1 d . . .
C28 C 0.8307(9) 0.9690(8) 0.5522(8) 0.060(2) Uani 1 1 d . . .
H28 H 0.8525 1.0224 0.6314 0.073 Uiso 1 1 calc R . .
C6 C 0.7061(6) 0.5054(6) 0.6092(6) 0.0403(15) Uani 1 1 d . . .
C3 C 0.5150(8) 0.2782(8) 0.4508(7) 0.060(2) Uani 1 1 d . . .
H3 H 0.4521 0.2012 0.3992 0.072 Uiso 1 1 calc R . .
C11 C 0.7898(8) 0.4879(7) 0.1116(7) 0.0491(18) Uani 1 1 d . . .
H11 H 0.7557 0.5071 0.0498 0.059 Uiso 1 1 calc R . .
C5 C 0.5745(8) 0.4668(8) 0.6232(7) 0.056(2) Uani 1 1 d . . .
H5 H 0.5486 0.5166 0.6843 0.067 Uiso 1 1 calc R . .
C10 C 0.6938(7) 0.4089(6) 0.1249(7) 0.0442(16) Uani 1 1 d . . .
C14 C 0.9963(9) 0.6695(9) 0.0911(9) 0.066(2) Uani 1 1 d . . .
H14 H 0.8988 0.6364 0.0369 0.080 Uiso 1 1 calc R . .
C9 C 0.5356(9) 0.3504(9) 0.0351(9) 0.068(3) Uani 1 1 d . . .
C26 C 0.7155(10) 0.9123(10) 0.3465(9) 0.069(3) Uani 1 1 d . . .
H26 H 0.6570 0.9254 0.2867 0.083 Uiso 1 1 calc R . .
C24 C 0.8535(8) 0.7959(7) 0.4058(7) 0.0547(19) Uani 1 1 d . . .
H24 H 0.8887 0.7301 0.3861 0.066 Uiso 1 1 calc R . .
C8 C 0.7855(9) 0.6919(8) 0.7838(8) 0.068(3) Uani 1 1 d . . .
H8A H 0.7752 0.6522 0.8315 0.102 Uiso 1 1 calc R . .
H8B H 0.6957 0.7109 0.7577 0.102 Uiso 1 1 calc R . .
H8C H 0.8674 0.7640 0.8303 0.102 Uiso 1 1 calc R . .
C18 C 1.1840(9) 0.6860(9) 0.2564(9) 0.066(2) Uani 1 1 d . . .
H18 H 1.2160 0.6628 0.3154 0.079 Uiso 1 1 calc R . .
C4 C 0.4823(9) 0.3523(9) 0.5439(8) 0.066(3) Uani 1 1 d . . .
H4 H 0.3952 0.3247 0.5541 0.079 Uiso 1 1 calc R . .
C25 C 0.7711(10) 0.8164(9) 0.3154(8) 0.069(3) Uani 1 1 d . . .
H25 H 0.7537 0.7668 0.2359 0.083 Uiso 1 1 calc R . .
O3 O 0.8672(4) 0.4734(4) 0.4991(4) 0.0335(9) Uani 1 1 d . . .
O7 O 1.1219(5) 0.8045(4) 0.8191(4) 0.0394(10) Uani 1 1 d . . .
O6 O 0.9836(5) 0.7398(4) 0.5804(4) 0.0416(11) Uani 1 1 d . . .
O4 O 0.7165(5) 0.3748(5) 0.2060(5) 0.0496(12) Uani 1 1 d . . .
O5 O 0.9941(5) 0.5158(5) 0.2710(5) 0.0459(12) Uani 1 1 d . . .
C22 C 0.9719(7) 0.8426(6) 0.6162(6) 0.0376(14) Uani 1 1 d . . .
C21 C 1.0359(8) 0.9290(6) 0.7384(7) 0.0455(16) Uani 1 1 d . . .
H21 H 1.0264 1.0051 0.7594 0.055 Uiso 1 1 calc R . .
C16 C 1.2370(11) 0.8046(8) 0.1617(9) 0.069(3) Uani 1 1 d . . .
H16 H 1.3026 0.8618 0.1559 0.083 Uiso 1 1 calc R . .
C15 C 1.0958(12) 0.7532(10) 0.0835(11) 0.082(3) Uani 1 1 d . . .
H15 H 1.0649 0.7747 0.0230 0.098 Uiso 1 1 calc R . .
C17 C 1.2829(11) 0.7718(10) 0.2499(12) 0.083(3) Uani 1 1 d . . .
H17 H 1.3798 0.8069 0.3049 0.099 Uiso 1 1 calc R . .
C27 C 0.7436(11) 0.9862(10) 0.4598(11) 0.080(3) Uani 1 1 d . . .
H27 H 0.7050 1.0503 0.4780 0.096 Uiso 1 1 calc R . .


_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 Dy1 3.8084(6) 2_766 ?
Dy1 O1 2.627(4) . ?
Dy1 O2 2.597(4) 2_766 ?
Dy1 O3 2.324(4) 2_766 ?
Dy1 O3 2.267(4) . ?
Dy1 O7 2.302(4) 2_766 ?
Dy1 O6 2.315(5) 2_766 ?
Dy1 O4 2.311(5) . ?
Dy1 O5 2.321(5) . ?
F5 C19 1.324(9) . ?
F2 C9 1.320(11) . ?
F6 C19 1.322(10) . ?
F3 C9 1.287(12) . ?
F4 C19 1.324(9) . ?
F1 C9 1.358(12) . ?
O1 C1 1.414(8) . ?
O1 C2 1.378(8) . ?
O2 Dy1 2.597(4) 2_766 ?
O2 C6 1.387(8) . ?
O2 C8 1.425(9) . ?
C19 C20 1.526(10) . ?
C13 C12 1.490(9) . ?
C13 C14 1.368(11) . ?
C13 C18 1.368(10) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C20 O7 1.270(8) . ?
C20 C21 1.362(10) . ?
C23 C28 1.391(10) . ?
C23 C24 1.378(11) . ?
C23 C22 1.487(9) . ?
C2 C7 1.389(9) . ?
C2 C3 1.387(9) . ?
C7 C6 1.389(9) . ?
C7 O3 1.343(7) . ?
C12 C11 1.414(9) . ?
C12 O5 1.252(8) . ?
C28 H28 0.9300 . ?
C28 C27 1.401(13) . ?
C6 C5 1.385(9) . ?
C3 H3 0.9300 . ?
C3 C4 1.370(12) . ?
C11 H11 0.9300 . ?
C11 C10 1.357(10) . ?
C5 H5 0.9300 . ?
C5 C4 1.384(12) . ?
C10 C9 1.518(10) . ?
C10 O4 1.279(9) . ?
C14 H14 0.9300 . ?
C14 C15 1.376(12) . ?
C26 H26 0.9300 . ?
C26 C25 1.381(14) . ?
C26 C27 1.328(15) . ?
C24 H24 0.9300 . ?
C24 C25 1.387(11) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C18 H18 0.9300 . ?
C18 C17 1.383(12) . ?
C4 H4 0.9300 . ?
C25 H25 0.9300 . ?
O3 Dy1 2.324(4) 2_766 ?
O7 Dy1 2.302(4) 2_766 ?
O6 Dy1 2.315(5) 2_766 ?
O6 C22 1.247(8) . ?
C22 C21 1.423(10) . ?
C21 H21 0.9300 . ?
C16 H16 0.9300 . ?
C16 C15 1.347(14) . ?
C16 C17 1.369(14) . ?
C15 H15 0.9300 . ?
C17 H17 0.9300 . ?
C27 H27 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 Dy1 96.49(10) . 2_766 ?
O2 Dy1 Dy1 97.33(10) 2_766 2_766 ?
O2 Dy1 O1 147.45(16) 2_766 . ?
O3 Dy1 Dy1 34.44(9) . 2_766 ?
O3 Dy1 Dy1 33.47(10) 2_766 2_766 ?
O3 Dy1 O1 64.48(14) . . ?
O3 Dy1 O1 127.27(14) 2_766 . ?
O3 Dy1 O2 64.23(14) 2_766 2_766 ?
O3 Dy1 O2 131.30(14) . 2_766 ?
O3 Dy1 O3 67.91(16) . 2_766 ?
O3 Dy1 O7 142.30(15) . 2_766 ?
O3 Dy1 O6 90.09(16) . 2_766 ?
O3 Dy1 O4 93.19(17) . . ?
O3 Dy1 O5 107.64(18) . . ?
O7 Dy1 Dy1 158.76(12) 2_766 2_766 ?
O7 Dy1 O1 78.61(15) 2_766 . ?
O7 Dy1 O2 77.87(15) 2_766 2_766 ?
O7 Dy1 O3 139.08(15) 2_766 2_766 ?
O7 Dy1 O6 73.52(16) 2_766 2_766 ?
O7 Dy1 O4 79.65(18) 2_766 . ?
O7 Dy1 O5 104.96(18) 2_766 . ?
O6 Dy1 Dy1 85.24(11) 2_766 2_766 ?
O6 Dy1 O1 76.68(17) 2_766 . ?
O6 Dy1 O2 75.28(17) 2_766 2_766 ?
O6 Dy1 O3 82.11(15) 2_766 2_766 ?
O6 Dy1 O5 144.57(17) 2_766 . ?
O4 Dy1 Dy1 118.12(14) . 2_766 ?
O4 Dy1 O1 68.66(17) . . ?
O4 Dy1 O2 127.80(18) . 2_766 ?
O4 Dy1 O3 135.89(17) . 2_766 ?
O4 Dy1 O6 139.56(17) . 2_766 ?
O4 Dy1 O5 71.43(16) . . ?
O5 Dy1 Dy1 92.44(13) . 2_766 ?
O5 Dy1 O1 138.53(16) . . ?
O5 Dy1 O2 69.96(17) . 2_766 ?
O5 Dy1 O3 76.95(16) . 2_766 ?
C1 O1 Dy1 123.8(5) . . ?
C2 O1 Dy1 114.7(3) . . ?
C2 O1 C1 116.3(5) . . ?
C6 O2 Dy1 113.3(4) . 2_766 ?
C6 O2 C8 116.0(5) . . ?
C8 O2 Dy1 126.4(4) . 2_766 ?
F5 C19 F4 106.2(6) . . ?
F5 C19 C20 113.8(7) . . ?
F6 C19 F5 106.3(7) . . ?
F6 C19 F4 107.4(8) . . ?
F6 C19 C20 112.6(6) . . ?
F4 C19 C20 110.2(6) . . ?
C14 C13 C12 123.4(6) . . ?
C14 C13 C18 118.1(7) . . ?
C18 C13 C12 118.5(7) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O7 C20 C19 111.9(6) . . ?
O7 C20 C21 129.1(6) . . ?
C21 C20 C19 119.0(6) . . ?
C28 C23 C22 122.9(7) . . ?
C24 C23 C28 118.6(7) . . ?
C24 C23 C22 118.5(7) . . ?
O1 C2 C7 113.8(5) . . ?
O1 C2 C3 125.0(6) . . ?
C3 C2 C7 121.2(7) . . ?
C6 C7 C2 118.5(6) . . ?
O3 C7 C2 120.5(6) . . ?
O3 C7 C6 121.0(6) . . ?
C11 C12 C13 120.5(6) . . ?
O5 C12 C13 117.5(6) . . ?
O5 C12 C11 122.0(6) . . ?
C23 C28 H28 120.4 . . ?
C23 C28 C27 119.2(9) . . ?
C27 C28 H28 120.4 . . ?
O2 C6 C7 113.1(5) . . ?
C5 C6 O2 125.7(6) . . ?
C5 C6 C7 121.2(6) . . ?
C2 C3 H3 120.8 . . ?
C4 C3 C2 118.5(7) . . ?
C4 C3 H3 120.8 . . ?
C12 C11 H11 119.1 . . ?
C10 C11 C12 121.8(7) . . ?
C10 C11 H11 119.1 . . ?
C6 C5 H5 120.9 . . ?
C4 C5 C6 118.2(7) . . ?
C4 C5 H5 120.9 . . ?
C11 C10 C9 119.0(7) . . ?
O4 C10 C11 128.8(6) . . ?
O4 C10 C9 112.2(7) . . ?
C13 C14 H14 119.8 . . ?
C13 C14 C15 120.3(8) . . ?
C15 C14 H14 119.8 . . ?
F2 C9 F1 104.0(8) . . ?
F2 C9 C10 114.2(7) . . ?
F3 C9 F2 106.4(8) . . ?
F3 C9 F1 108.5(8) . . ?
F3 C9 C10 113.4(8) . . ?
F1 C9 C10 109.8(8) . . ?
C25 C26 H26 119.2 . . ?
C27 C26 H26 119.2 . . ?
C27 C26 C25 121.6(8) . . ?
C23 C24 H24 119.3 . . ?
C23 C24 C25 121.5(8) . . ?
C25 C24 H24 119.3 . . ?
O2 C8 H8A 109.5 . . ?
O2 C8 H8B 109.5 . . ?
O2 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C13 C18 H18 119.3 . . ?
C13 C18 C17 121.4(9) . . ?
C17 C18 H18 119.3 . . ?
C3 C4 C5 122.2(7) . . ?
C3 C4 H4 118.9 . . ?
C5 C4 H4 118.9 . . ?
C26 C25 C24 118.3(9) . . ?
C26 C25 H25 120.9 . . ?
C24 C25 H25 120.9 . . ?
Dy1 O3 Dy1 112.09(15) . 2_766 ?
C7 O3 Dy1 120.3(4) . 2_766 ?
C7 O3 Dy1 125.8(4) . . ?
C20 O7 Dy1 132.9(4) . 2_766 ?
C22 O6 Dy1 138.3(4) . 2_766 ?
C10 O4 Dy1 133.1(4) . . ?
C12 O5 Dy1 139.7(4) . . ?
O6 C22 C23 116.5(6) . . ?
O6 C22 C21 122.7(6) . . ?
C21 C22 C23 120.9(6) . . ?
C20 C21 C22 122.4(6) . . ?
C20 C21 H21 118.8 . . ?
C22 C21 H21 118.8 . . ?
C15 C16 H16 120.4 . . ?
C15 C16 C17 119.2(8) . . ?
C17 C16 H16 120.4 . . ?
C14 C15 H15 119.3 . . ?
C16 C15 C14 121.5(9) . . ?
C16 C15 H15 119.3 . . ?
C18 C17 H17 120.3 . . ?
C16 C17 C18 119.5(9) . . ?
C16 C17 H17 120.3 . . ?
C28 C27 H27 119.6 . . ?
C26 C27 C28 120.8(9) . . ?
C26 C27 H27 119.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 Dy1 O1 C1 173.4(6) 2_766 . . . ?
Dy1 Dy1 O1 C2 19.6(4) 2_766 . . . ?
Dy1 Dy1 O3 C7 -164.4(6) 2_766 . . . ?
Dy1 Dy1 O4 C10 101.9(7) 2_766 . . . ?
Dy1 Dy1 O5 C12 -133.9(7) 2_766 . . . ?
Dy1 O1 C2 C7 -5.2(7) . . . . ?
Dy1 O1 C2 C3 175.0(6) . . . . ?
Dy1 O2 C6 C7 -20.1(7) 2_766 . . . ?
Dy1 O2 C6 C5 161.7(6) 2_766 . . . ?
Dy1 O6 C22 C23 -170.9(5) 2_766 . . . ?
Dy1 O6 C22 C21 8.0(11) 2_766 . . . ?
F5 C19 C20 O7 -177.5(6) . . . . ?
F5 C19 C20 C21 1.5(10) . . . . ?
F6 C19 C20 O7 -56.5(9) . . . . ?
F6 C19 C20 C21 122.5(8) . . . . ?
F4 C19 C20 O7 63.4(9) . . . . ?
F4 C19 C20 C21 -117.6(8) . . . . ?
O1 Dy1 O3 Dy1 156.6(2) . . . 2_766 ?
O1 Dy1 O3 C7 -7.7(4) . . . . ?
O1 Dy1 O4 C10 -172.2(7) . . . . ?
O1 Dy1 O5 C12 -31.3(9) . . . . ?
O1 C2 C7 C6 -180.0(6) . . . . ?
O1 C2 C7 O3 -0.9(9) . . . . ?
O1 C2 C3 C4 -178.3(8) . . . . ?
O2 Dy1 O1 C1 -72.0(7) 2_766 . . . ?
O2 Dy1 O1 C2 134.3(4) 2_766 . . . ?
O2 Dy1 O3 Dy1 11.1(3) 2_766 . . 2_766 ?
O2 Dy1 O3 C7 -153.2(4) 2_766 . . . ?
O2 Dy1 O4 C10 -24.8(7) 2_766 . . . ?
O2 Dy1 O5 C12 129.2(8) 2_766 . . . ?
O2 C6 C5 C4 -178.1(8) . . . . ?
C19 C20 O7 Dy1 -166.9(4) . . . 2_766 ?
C19 C20 C21 C22 172.4(7) . . . . ?
C13 C12 C11 C10 -175.4(7) . . . . ?
C13 C12 O5 Dy1 -173.3(5) . . . . ?
C13 C14 C15 C16 -1.3(18) . . . . ?
C13 C18 C17 C16 -1.3(18) . . . . ?
C1 O1 C2 C7 -161.0(7) . . . . ?
C1 O1 C2 C3 19.3(11) . . . . ?
C23 C28 C27 C26 -1.9(16) . . . . ?
C23 C24 C25 C26 -2.2(14) . . . . ?
C23 C22 C21 C20 176.7(7) . . . . ?
C2 C7 C6 O2 179.0(6) . . . . ?
C2 C7 C6 C5 -2.8(11) . . . . ?
C2 C7 O3 Dy1 8.4(8) . . . . ?
C2 C7 O3 Dy1 -154.7(5) . . . 2_766 ?
C2 C3 C4 C5 -0.8(15) . . . . ?
C7 C2 C3 C4 2.0(13) . . . . ?
C7 C6 C5 C4 3.9(12) . . . . ?
C12 C13 C14 C15 -177.8(9) . . . . ?
C12 C13 C18 C17 179.1(10) . . . . ?
C12 C11 C10 C9 -177.3(8) . . . . ?
C12 C11 C10 O4 3.3(14) . . . . ?
C28 C23 C24 C25 0.1(12) . . . . ?
C28 C23 C22 O6 163.8(7) . . . . ?
C28 C23 C22 C21 -15.2(11) . . . . ?
C6 C7 O3 Dy1 -172.5(5) . . . . ?
C6 C7 O3 Dy1 24.3(8) . . . 2_766 ?
C6 C5 C4 C3 -2.1(14) . . . . ?
C3 C2 C7 C6 -0.2(11) . . . . ?
C3 C2 C7 O3 178.8(7) . . . . ?
C11 C12 O5 Dy1 8.5(12) . . . . ?
C11 C10 C9 F2 5.7(13) . . . . ?
C11 C10 C9 F3 -116.3(10) . . . . ?
C11 C10 C9 F1 122.1(9) . . . . ?
C11 C10 O4 Dy1 -19.8(13) . . . . ?
C14 C13 C12 C11 -3.1(12) . . . . ?
C14 C13 C12 O5 178.7(8) . . . . ?
C14 C13 C18 C17 0.8(16) . . . . ?
C9 C10 O4 Dy1 160.8(6) . . . . ?
C24 C23 C28 C27 2.0(13) . . . . ?
C24 C23 C22 O6 -15.5(10) . . . . ?
C24 C23 C22 C21 165.6(7) . . . . ?
C8 O2 C6 C7 -178.4(7) . . . . ?
C8 O2 C6 C5 3.5(11) . . . . ?
C18 C13 C12 C11 178.7(8) . . . . ?
C18 C13 C12 O5 0.4(11) . . . . ?
C18 C13 C14 C15 0.5(16) . . . . ?
C25 C26 C27 C28 -0.3(17) . . . . ?
O3 Dy1 O1 C1 -172.2(6) 2_766 . . . ?
O3 Dy1 O1 C1 160.3(6) . . . . ?
O3 Dy1 O1 C2 6.6(4) . . . . ?
O3 Dy1 O1 C2 34.1(5) 2_766 . . . ?
O3 Dy1 O3 Dy1 0.0 2_766 . . 2_766 ?
O3 Dy1 O3 C7 -164.4(6) 2_766 . . . ?
O3 Dy1 O4 C10 126.8(7) . . . . ?
O3 Dy1 O4 C10 65.8(7) 2_766 . . . ?
O3 Dy1 O5 C12 -163.8(8) 2_766 . . . ?
O3 Dy1 O5 C12 -102.4(7) . . . . ?
O3 C7 C6 O2 -0.1(9) . . . . ?
O3 C7 C6 C5 178.2(7) . . . . ?
O7 Dy1 O1 C1 -27.6(6) 2_766 . . . ?
O7 Dy1 O1 C2 178.7(5) 2_766 . . . ?
O7 Dy1 O3 Dy1 143.9(2) 2_766 . . 2_766 ?
O7 Dy1 O3 C7 -20.4(6) 2_766 . . . ?
O7 Dy1 O4 C10 -90.5(7) 2_766 . . . ?
O7 Dy1 O5 C12 58.4(8) 2_766 . . . ?
O7 C20 C21 C22 -8.9(12) . . . . ?
O6 Dy1 O1 C1 -103.1(6) 2_766 . . . ?
O6 Dy1 O1 C2 103.2(5) 2_766 . . . ?
O6 Dy1 O3 Dy1 81.4(2) 2_766 . . 2_766 ?
O6 Dy1 O3 C7 -82.9(5) 2_766 . . . ?
O6 Dy1 O4 C10 -139.3(6) 2_766 . . . ?
O6 Dy1 O5 C12 140.8(7) 2_766 . . . ?
O6 C22 C21 C20 -2.2(11) . . . . ?
O4 Dy1 O1 C1 55.7(6) . . . . ?
O4 Dy1 O1 C2 -98.1(5) . . . . ?
O4 Dy1 O3 Dy1 -138.9(2) . . . 2_766 ?
O4 Dy1 O3 C7 56.8(5) . . . . ?
O4 Dy1 O5 C12 -15.0(7) . . . . ?
O4 C10 C9 F2 -174.8(8) . . . . ?
O4 C10 C9 F3 63.2(11) . . . . ?
O4 C10 C9 F1 -58.4(10) . . . . ?
O5 Dy1 O1 C1 72.2(7) . . . . ?
O5 Dy1 O1 C2 -81.5(5) . . . . ?
O5 Dy1 O3 Dy1 -67.4(2) . . . 2_766 ?
O5 Dy1 O3 C7 128.3(5) . . . . ?
O5 Dy1 O4 C10 19.3(6) . . . . ?
O5 C12 C11 C10 2.8(12) . . . . ?
C22 C23 C28 C27 -177.3(8) . . . . ?
C22 C23 C24 C25 179.4(7) . . . . ?
C21 C20 O7 Dy1 14.3(11) . . . 2_766 ?
C15 C16 C17 C18 0.5(18) . . . . ?
C17 C16 C15 C14 0.8(18) . . . . ?
C27 C26 C25 C24 2.3(16) . . . . ?

####################################################################### 
# 
# 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 1411819'
_audit_update_record             
;
2015-07-09 deposited with the CCDC.
2016-12-28 downloaded from the CCDC.
;
_audit_creation_date             2015-04-25
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_formula_moiety         'C72 H50 Dy2 F12 O14'
_chemical_formula_sum            'C72 H50 Dy2 F12 O14'
_chemical_formula_weight         1692.17
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Dy -0.09334 4.42894 26.50700 17.63830 14.55960 2.96577 2.18020 0.20217 12.18990
111.87400 4.29727983475
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.01158 0.00611 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
F 0.01794 0.01033 3.53920 2.64120 1.51700 1.02430 10.28250 4.29440 0.26150
26.14760 0.277599990368
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y,-z+1/2
3 -x,-y,-z
4 x,-y,z-1/2
5 x+1/2,y+1/2,z
6 -x+1/2,y+1/2,-z+1/2
7 -x+1/2,-y+1/2,-z
8 x+1/2,-y+1/2,z-1/2

_symmetry_Int_Tables_number      15
_cell_length_a                   26.2297(6)
_cell_length_b                   14.2596(3)
_cell_length_c                   18.5801(5)
_cell_angle_alpha                90
_cell_angle_beta                 105.255(3)
_cell_angle_gamma                90
_cell_volume                     6704.6(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6177
_cell_measurement_theta_max      30.0775
_cell_measurement_theta_min      2.9633
_exptl_absorpt_coefficient_mu    2.311
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.93862
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.6763
_exptl_crystal_F_000             3337.4000
_diffrn_reflns_av_R_equivalents  0.0248
_diffrn_reflns_av_unetI/netI     0.0415
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            17704
_diffrn_reflns_theta_full        26.0000
_diffrn_reflns_theta_max         30.14
_diffrn_reflns_theta_min         2.97
_diffrn_detector_area_resol_mean 16.1954
_diffrn_measured_fraction_theta_full 0.9985
_diffrn_measured_fraction_theta_max 0.8686
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   39.00   94.00   1.0000   35.0000
omega____ theta____ kappa____ phi______ frames
    -       20.2277  178.0000 -150.0000 55

#__ type_ start__ end____ width___ exp.time_
  2 omega  -75.00  -39.00   1.0000   35.0000
omega____ theta____ kappa____ phi______ frames
    -      -21.3215 -178.0000  -60.0000 36

#__ type_ start__ end____ width___ exp.time_
  3 omega  -68.00   -2.00   1.0000   35.0000
omega____ theta____ kappa____ phi______ frames
    -      -21.3215  -57.0000 -150.0000 66

#__ type_ start__ end____ width___ exp.time_
  4 omega  -40.00   49.00   1.0000   35.0000
omega____ theta____ kappa____ phi______ frames
    -      -21.3215   77.0000  -30.0000 89
;
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0175081000
_diffrn_orient_matrix_UB_12      -0.0332962000
_diffrn_orient_matrix_UB_13      -0.0088300000
_diffrn_orient_matrix_UB_21      -0.0076191000
_diffrn_orient_matrix_UB_22      0.0147306000
_diffrn_orient_matrix_UB_23      -0.0377937000
_diffrn_orient_matrix_UB_31      0.0205117000
_diffrn_orient_matrix_UB_32      0.0339014000
_diffrn_orient_matrix_UB_33      0.0077480000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              33
_reflns_limit_h_min              -36
_reflns_limit_k_max              19
_reflns_limit_k_min              0
_reflns_limit_l_max              26
_reflns_limit_l_min              0
_reflns_number_gt                6033
_reflns_number_total             8606
_reflns_odcompleteness_completeness 99.81
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.50
_reflns_threshold_expression     I>=2u(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_refine_diff_density_max         1.6235
_refine_diff_density_min         -1.0567
_refine_diff_density_rms         0.1722
_refine_ls_d_res_high            0.7076
_refine_ls_d_res_low             6.8602
_refine_ls_goodness_of_fit_ref   1.0854
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    47
_refine_ls_number_parameters     439
_refine_ls_number_reflns         8606
_refine_ls_number_restraints     49
_refine_ls_R_factor_all          0.0869
_refine_ls_R_factor_gt           0.0577
_refine_ls_restrained_S_all      1.0821
_refine_ls_shift/su_max          0.0266
_refine_ls_shift/su_mean         0.0011
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0805P)²+21.3588P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1460
_refine_ls_wR_factor_ref         0.1721
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C27-C28
 1.35 with sigma of 0.01
 C28-C29
 1.35 with sigma of 0.01
 C29-C30
 1.35 with sigma of 0.01
 C30-C31
 1.35 with sigma of 0.01
 C31-C32
 1.35 with sigma of 0.01
 C32-C33
 1.35 with sigma of 0.01
 C33-C34
 1.35 with sigma of 0.01
 C34-C35
 1.35 with sigma of 0.01
 C35-C36
 1.35 with sigma of 0.01
 C27-C36
 1.35 with sigma of 0.01
3. Rigid bond restraints
 C30, C31, C32, C33, C34, C35
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C30 \\sim C31 \\sim C32 \\sim C33 \\sim C34 \\sim C35: within 1.7A with sigma
of 0.04 and sigma for terminal atoms of 0.08
5.a :
 C29(C30,C31,C32,C33,C34)
5.b Me refined with riding coordinates:
 C1(H1a,H1b,H1c), C8(H8a,H8b,H8c)
5.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C11(H11), C14(H14), C16(H16), C17(H17), C18(H18),
 C19(H19), C21(H21), C22(H22), C25(H25), C28(H28), C30(H30), C31(H31), C32(H32),
  C33(H33), C35(H35), C36(H36)
;
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_refinement_flags_posn
_atom_site_refinement_flags_adp
Dy1 Dy 0.478503(10) 0.62446(2) 0.468814(16) 0.05148(12) Uani 1.000000 . .
O1 O 0.47273(18) 0.2918(3) 0.4084(3) 0.0661(12) Uani 1.000000 . .
O2 O 0.48967(15) 0.4719(3) 0.4330(2) 0.0511(9) Uani 1.000000 . .
O3 O 0.4622(2) 0.6010(4) 0.3267(3) 0.0753(14) Uani 1.000000 . .
O4 O 0.42081(18) 0.7052(3) 0.5218(3) 0.0689(13) Uani 1.000000 . .
O5 O 0.39235(18) 0.5757(4) 0.4129(3) 0.0720(13) Uani 1.000000 . .
O6 O 0.56380(17) 0.6344(3) 0.4550(3) 0.0607(11) Uani 1.000000 . .
O7 O 0.4877(2) 0.7727(4) 0.4257(3) 0.0779(14) Uani 1.000000 . .
F4 F 0.3090(4) 0.8254(7) 0.5227(6) 0.207(5) Uani 1.000000 . .
F6 F 0.3795(5) 0.8602(11) 0.5576(14) 0.395(15) Uani 1.000000 . .
F5 F 0.3578(9) 0.7804(10) 0.6095(5) 0.415(16) Uani 1.000000 . .
C1 C 0.4783(3) 0.1934(5) 0.3953(5) 0.089(3) Uani 1.000000 . .
H1a H 0.4888(3) 0.1611(5) 0.4422(5) 0.133(4) Uiso 1.000000 R .
H1b H 0.4451(3) 0.1689(5) 0.3664(5) 0.133(4) Uiso 1.000000 R .
H1c H 0.5047(3) 0.1847(5) 0.3686(5) 0.133(4) Uiso 1.000000 R .
C2 C 0.4578(3) 0.3500(6) 0.3471(4) 0.0673(19) Uani 1.000000 . .
C3 C 0.4353(3) 0.3203(7) 0.2730(5) 0.085(3) Uani 1.000000 . .
H3 H 0.4291(3) 0.2570(7) 0.2622(5) 0.102(3) Uiso 1.000000 R .
C4 C 0.4228(4) 0.3862(8) 0.2172(5) 0.101(3) Uani 1.000000 . .
H4 H 0.4084(4) 0.3669(8) 0.1683(5) 0.122(4) Uiso 1.000000 R .
C5 C 0.4311(4) 0.4800(8) 0.2324(4) 0.090(3) Uani 1.000000 . .
H5 H 0.4222(4) 0.5239(8) 0.1941(4) 0.108(3) Uiso 1.000000 R .
C6 C 0.4528(3) 0.5082(6) 0.3048(4) 0.0685(19) Uani 1.000000 . .
C7 C 0.4673(2) 0.4435(5) 0.3627(4) 0.0575(16) Uani 1.000000 . .
C8 C 0.4362(5) 0.6697(8) 0.2736(6) 0.120(4) Uani 1.000000 . .
H8a H 0.4452(5) 0.7312(8) 0.2938(6) 0.179(6) Uiso 1.000000 R .
H8b H 0.4472(5) 0.6629(8) 0.2286(6) 0.179(6) Uiso 1.000000 R .
H8c H 0.3986(5) 0.6609(8) 0.2628(6) 0.179(6) Uiso 1.000000 R .
C9 C 0.5112(8) 0.9172(9) 0.3896(11) 0.139(6) Uani 1.000000 . .
C10 C 0.5272(4) 0.8182(5) 0.4144(5) 0.075(2) Uani 1.000000 . .
C11 C 0.5765(4) 0.7866(5) 0.4180(5) 0.082(2) Uani 1.000000 . .
H11 H 0.6010(4) 0.8288(5) 0.4085(5) 0.098(3) Uiso 1.000000 R .
C12 C 0.5925(3) 0.6941(5) 0.4353(4) 0.0621(16) Uani 1.000000 . .
C13 C 0.6460(3) 0.6602(5) 0.4317(4) 0.0630(17) Uani 1.000000 . .
C14 C 0.6818(3) 0.7196(6) 0.4123(4) 0.073(2) Uani 1.000000 . .
H14 H 0.6727(3) 0.7819(6) 0.4007(4) 0.088(2) Uiso 1.000000 R .
C15 C 0.7313(3) 0.6868(6) 0.4100(5) 0.076(2) Uani 1.000000 . .
C16 C 0.7702(4) 0.7482(9) 0.3932(7) 0.116(4) Uani 1.000000 . .
H16 H 0.7631(4) 0.8116(9) 0.3839(7) 0.139(4) Uiso 1.000000 R .
C17 C 0.8183(4) 0.7107(11) 0.3915(7) 0.122(4) Uani 1.000000 . .
H17 H 0.8440(4) 0.7501(11) 0.3817(7) 0.147(5) Uiso 1.000000 R .
C18 C 0.8294(4) 0.6186(10) 0.4035(8) 0.119(4) Uani 1.000000 . .
H18 H 0.8612(4) 0.5950(10) 0.3978(8) 0.142(5) Uiso 1.000000 R .
C19 C 0.7959(4) 0.5621(9) 0.4229(6) 0.112(3) Uani 1.000000 . .
H19 H 0.8058(4) 0.5006(9) 0.4361(6) 0.134(4) Uiso 1.000000 R .
C20 C 0.7446(3) 0.5934(7) 0.4241(5) 0.085(2) Uani 1.000000 . .
C21 C 0.7077(4) 0.5340(7) 0.4430(6) 0.106(3) Uani 1.000000 . .
H21 H 0.7162(4) 0.4713(7) 0.4532(6) 0.127(4) Uiso 1.000000 R .
C22 C 0.6591(3) 0.5667(6) 0.4466(5) 0.083(2) Uani 1.000000 . .
H22 H 0.6350(3) 0.5261(6) 0.4591(5) 0.099(3) Uiso 1.000000 R .
C23 C 0.3533(4) 0.7932(8) 0.5468(6) 0.100(3) Uani 1.000000 . .
C24 C 0.3716(3) 0.7161(5) 0.5053(4) 0.0662(18) Uani 1.000000 . .
C25 C 0.3338(3) 0.6670(6) 0.4549(5) 0.081(2) Uani 1.000000 . .
H25 H 0.2984(3) 0.6813(6) 0.4502(5) 0.098(3) Uiso 1.000000 R .
C26 C 0.3458(3) 0.5966(6) 0.4102(4) 0.0696(19) Uani 1.000000 . .
C27 C 0.3032(3) 0.5404(7) 0.3572(5) 0.093(3) Uani 1.000000 D .
C28 C 0.2501(3) 0.5460(9) 0.3506(7) 0.143(5) Uani 1.000000 D .
H28 H 0.2376(3) 0.5864(9) 0.3815(7) 0.172(6) Uiso 1.000000 R .
C29 C 0.2139(3) 0.4909(7) 0.2975(5) 0.148(6) Uani 1.000000 D .
C30 C 0.1614(4) 0.4978(10) 0.2935(8) 0.272(10) Uani 1.000000 DG U
H30 H 0.1499(4) 0.5393(10) 0.3245(8) 0.327(12) Uiso 1.000000 R .
C31 C 0.1258(4) 0.4438(11) 0.2441(9) 0.304(9) Uani 1.000000 DG U
H31 H 0.0899(4) 0.4485(11) 0.2414(9) 0.365(11) Uiso 1.000000 R .
C32 C 0.1426(5) 0.3829(9) 0.1988(7) 0.228(7) Uani 1.000000 DG U
H32 H 0.1183(5) 0.3460(9) 0.1651(7) 0.273(9) Uiso 1.000000 R .
C33 C 0.1951(5) 0.3759(7) 0.2028(6) 0.196(6) Uani 1.000000 DG U
H33 H 0.2066(5) 0.3344(7) 0.1718(6) 0.235(7) Uiso 1.000000 R .
C34 C 0.2307(3) 0.4299(8) 0.2521(6) 0.179(6) Uani 1.000000 DG U
C35 C 0.2825(4) 0.4208(10) 0.2600(7) 0.170(6) Uani 1.000000 D U
H35 H 0.2952(4) 0.3776(10) 0.2316(7) 0.204(7) Uiso 1.000000 R .
C36 C 0.3167(4) 0.4766(7) 0.3112(5) 0.109(3) Uani 1.000000 D .
H36 H 0.3525(4) 0.4700(7) 0.3146(5) 0.131(4) Uiso 1.000000 R .
F1 F 0.4783(4) 0.9552(5) 0.4182(6) 0.182(4) Uani 1.000000 . .
F2 F 0.4959(9) 0.9296(9) 0.3264(7) 0.314(12) Uani 1.000000 . .
F3 F 0.5515(5) 0.9712(6) 0.4041(14) 0.346(12) Uani 1.000000 . .


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 O1 2.594(4) 3_666 ?
Dy1 O2 2.261(4) 3_666 ?
Dy1 O2 2.316(4) . ?
Dy1 O3 2.584(5) . ?
Dy1 O4 2.317(4) . ?
Dy1 O5 2.331(5) . ?
Dy1 O6 2.322(4) . ?
Dy1 O7 2.295(5) . ?
O1 C1 1.438(8) . ?
O1 C2 1.379(10) . ?
O2 C7 1.346(7) . ?
O3 C6 1.387(9) . ?
O3 C8 1.429(11) . ?
O4 C24 1.254(8) . ?
O5 C26 1.245(8) . ?
O6 C12 1.252(8) . ?
O7 C10 1.285(10) . ?
F4 C23 1.217(11) . ?
F6 F5 1.68(2) . ?
F6 C23 1.163(15) . ?
F5 C23 1.153(13) . ?
C1 H1a 0.9600 . ?
C1 H1b 0.9600 . ?
C1 H1c 0.9600 . ?
C2 C3 1.412(10) . ?
C2 C7 1.373(10) . ?
C3 H3 0.9300 . ?
C3 C4 1.374(13) . ?
C4 H4 0.9300 . ?
C4 C5 1.372(13) . ?
C5 H5 0.9300 . ?
C5 C6 1.377(10) . ?
C6 C7 1.392(10) . ?
C8 H8a 0.9600 . ?
C8 H8b 0.9600 . ?
C8 H8c 0.9600 . ?
C9 C10 1.510(15) . ?
C9 F1 1.251(14) . ?
C9 F2 1.15(2) . ?
C9 F3 1.278(18) . ?
C10 C11 1.355(11) . ?
C11 H11 0.9300 . ?
C11 C12 1.397(10) . ?
C12 C13 1.504(10) . ?
C13 C14 1.380(10) . ?
C13 C22 1.387(11) . ?
C14 H14 0.9300 . ?
C14 C15 1.392(11) . ?
C15 C16 1.440(11) . ?
C15 C20 1.384(13) . ?
C16 H16 0.9300 . ?
C16 C17 1.379(15) . ?
C17 H17 0.9300 . ?
C17 C18 1.351(15) . ?
C18 H18 0.9300 . ?
C18 C19 1.311(14) . ?
C19 H19 0.9300 . ?
C19 C20 1.425(12) . ?
C20 C21 1.397(12) . ?
C21 H21 0.9300 . ?
C21 C22 1.376(11) . ?
C22 H22 0.9300 . ?
C23 C24 1.495(10) . ?
C24 C25 1.365(10) . ?
C25 H25 0.9300 . ?
C25 C26 1.392(11) . ?
C26 C27 1.509(10) . ?
C27 C28 1.370(8) . ?
C27 C36 1.357(8) . ?
C28 H28 0.9300 . ?
C28 C29 1.415(8) . ?
C29 C30 1.362(4) . ?
C29 C34 1.363(4) . ?
C30 H30 0.9300 . ?
C30 C31 1.362(4) . ?
C31 H31 0.9300 . ?
C31 C32 1.362(4) . ?
C32 H32 0.9300 . ?
C32 C33 1.362(4) . ?
C33 H33 0.9300 . ?
C33 C34 1.362(4) . ?
C34 C35 1.332(9) . ?
C35 H35 0.9300 . ?
C35 C36 1.376(8) . ?
C36 H36 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
O2 Dy1 O1 65.05(16) 3_666 3_666 ?
O2 Dy1 O1 127.91(15) . 3_666 ?
O3 Dy1 O1 150.35(18) . 3_666 ?
O3 Dy1 O2 132.28(16) . 3_666 ?
O3 Dy1 O2 65.43(16) . . ?
O4 Dy1 O1 67.90(15) . 3_666 ?
O4 Dy1 O2 137.29(16) . . ?
O4 Dy1 O2 95.90(16) . 3_666 ?
O4 Dy1 O3 123.22(18) . . ?
O5 Dy1 O1 136.46(15) . 3_666 ?
O5 Dy1 O2 106.67(18) . 3_666 ?
O5 Dy1 O2 76.87(16) . . ?
O5 Dy1 O3 68.05(18) . . ?
O5 Dy1 O4 70.88(16) . . ?
O6 Dy1 O1 78.61(16) . 3_666 ?
O6 Dy1 O2 87.94(15) . 3_666 ?
O6 Dy1 O2 80.05(14) . . ?
O6 Dy1 O3 78.46(18) . . ?
O6 Dy1 O4 140.58(16) . . ?
O6 Dy1 O5 144.92(17) . . ?
O7 Dy1 O1 79.09(18) . 3_666 ?
O7 Dy1 O2 137.03(18) . . ?
O7 Dy1 O2 142.29(18) . 3_666 ?
O7 Dy1 O3 76.49(19) . . ?
O7 Dy1 O4 80.29(19) . . ?
O7 Dy1 O5 107.3(2) . . ?
O7 Dy1 O6 73.31(17) . . ?
C1 O1 Dy1 123.3(5) . 3_666 ?
C2 O1 Dy1 114.6(4) . 3_666 ?
C2 O1 C1 117.8(6) . . ?
C7 O2 Dy1 125.0(4) . 3_666 ?
C7 O2 Dy1 120.4(4) . . ?
C6 O3 Dy1 113.0(4) . . ?
C8 O3 Dy1 122.5(6) . . ?
C8 O3 C6 115.8(7) . . ?
C24 O4 Dy1 134.6(5) . . ?
C26 O5 Dy1 140.6(5) . . ?
C12 O6 Dy1 138.1(4) . . ?
C10 O7 Dy1 133.2(5) . . ?
C23 F6 F5 43.1(10) . . ?
C23 F5 F6 43.6(8) . . ?
H1a C1 O1 109.5 . . ?
H1b C1 O1 109.5 . . ?
H1b C1 H1a 109.5 . . ?
H1c C1 O1 109.5 . . ?
H1c C1 H1a 109.5 . . ?
H1c C1 H1b 109.5 . . ?
C3 C2 O1 125.4(8) . . ?
C7 C2 O1 114.4(6) . . ?
C7 C2 C3 120.1(8) . . ?
H3 C3 C2 120.4(6) . . ?
C4 C3 C2 119.1(9) . . ?
C4 C3 H3 120.4(5) . . ?
H4 C4 C3 119.4(5) . . ?
C5 C4 C3 121.2(8) . . ?
C5 C4 H4 119.4(5) . . ?
H5 C5 C4 120.4(5) . . ?
C6 C5 C4 119.2(9) . . ?
C6 C5 H5 120.4(6) . . ?
C5 C6 O3 124.1(8) . . ?
C7 C6 O3 114.6(6) . . ?
C7 C6 C5 121.3(8) . . ?
C2 C7 O2 120.4(7) . . ?
C6 C7 O2 120.7(6) . . ?
C6 C7 C2 118.9(6) . . ?
H8a C8 O3 109.5 . . ?
H8b C8 O3 109.5 . . ?
H8b C8 H8a 109.5 . . ?
H8c C8 O3 109.5 . . ?
H8c C8 H8a 109.5 . . ?
H8c C8 H8b 109.5 . . ?
F1 C9 C10 116.3(10) . . ?
F2 C9 C10 116.8(14) . . ?
F2 C9 F1 105.8(19) . . ?
F3 C9 C10 110.6(15) . . ?
F3 C9 F1 105.9(16) . . ?
F3 C9 F2 99.7(15) . . ?
C9 C10 O7 110.6(9) . . ?
C11 C10 O7 128.6(7) . . ?
C11 C10 C9 120.7(9) . . ?
H11 C11 C10 118.3(5) . . ?
C12 C11 C10 123.4(7) . . ?
C12 C11 H11 118.3(5) . . ?
C11 C12 O6 122.8(7) . . ?
C13 C12 O6 115.8(6) . . ?
C13 C12 C11 121.4(7) . . ?
C14 C13 C12 121.4(7) . . ?
C22 C13 C12 119.0(6) . . ?
C22 C13 C14 119.6(7) . . ?
H14 C14 C13 119.8(5) . . ?
C15 C14 C13 120.3(8) . . ?
C15 C14 H14 119.8(5) . . ?
C16 C15 C14 121.5(9) . . ?
C20 C15 C14 120.5(7) . . ?
C20 C15 C16 117.9(8) . . ?
H16 C16 C15 120.8(6) . . ?
C17 C16 C15 118.3(11) . . ?
C17 C16 H16 120.8(7) . . ?
H17 C17 C16 118.9(7) . . ?
C18 C17 C16 122.2(10) . . ?
C18 C17 H17 118.9(6) . . ?
H18 C18 C17 119.6(6) . . ?
C19 C18 C17 120.7(10) . . ?
C19 C18 H18 119.6(7) . . ?
H19 C19 C18 119.4(7) . . ?
C20 C19 C18 121.2(11) . . ?
C20 C19 H19 119.4(6) . . ?
C19 C20 C15 119.3(8) . . ?
C21 C20 C15 118.3(8) . . ?
C21 C20 C19 122.3(10) . . ?
H21 C21 C20 119.4(6) . . ?
C22 C21 C20 121.3(9) . . ?
C22 C21 H21 119.4(5) . . ?
C21 C22 C13 119.9(8) . . ?
H22 C22 C13 120.0(4) . . ?
H22 C22 C21 120.0(5) . . ?
F6 C23 F4 102.5(13) . . ?
F5 C23 F4 105.4(13) . . ?
F5 C23 F6 93.3(15) . . ?
C24 C23 F4 119.5(9) . . ?
C24 C23 F6 115.9(11) . . ?
C24 C23 F5 116.3(10) . . ?
C23 C24 O4 114.5(7) . . ?
C25 C24 O4 128.4(7) . . ?
C25 C24 C23 117.1(7) . . ?
H25 C25 C24 118.6(4) . . ?
C26 C25 C24 122.7(6) . . ?
C26 C25 H25 118.6(4) . . ?
C25 C26 O5 121.5(7) . . ?
C27 C26 O5 116.7(7) . . ?
C27 C26 C25 121.8(7) . . ?
C28 C27 C26 126.0(8) . . ?
C36 C27 C26 119.8(7) . . ?
C36 C27 C28 114.2(9) . . ?
H28 C28 C27 119.7(6) . . ?
C29 C28 C27 120.7(9) . . ?
C29 C28 H28 119.7(6) . . ?
C30 C29 C28 118.7 . . ?
C34 C29 C28 121.2 . . ?
C34 C29 C30 120.0 . . ?
H30 C30 C29 120.0(4) . . ?
C31 C30 C29 120.003421083(14) . . ?
C31 C30 H30 120.0(4) . . ?
H31 C31 C30 120.0(4) . . ?
C32 C31 C30 120.0 . . ?
C32 C31 H31 120.0(4) . . ?
H32 C32 C31 120.0(4) . . ?
C33 C32 C31 120.0 . . ?
C33 C32 H32 120.0(4) . . ?
H33 C33 C32 120.0(4) . . ?
C34 C33 C32 120.0 . . ?
C34 C33 H33 120.0(4) . . ?
C33 C34 C29 120.0 . . ?
C35 C34 C29 118.7(9) . . ?
C35 C34 C33 121.2(9) . . ?
H35 C35 C34 120.6(7) . . ?
C36 C35 C34 118.7(12) . . ?
C36 C35 H35 120.6(7) . . ?
C35 C36 C27 126.3(11) . . ?
H36 C36 C27 116.8(5) . . ?
H36 C36 C35 116.8(7) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_restr_distance_atom_site_label_1
_restr_distance_atom_site_label_2
_restr_distance_site_symmetry_2
_restr_distance_target
_restr_distance_target_weight_param
_restr_distance_diff
C27 C28 1 1.3500 0.0100 -0.0200
C27 C36 1 1.3500 0.0100 -0.0068
C28 C29 1 1.3500 0.0100 -0.0650
C29 C30 1 1.3500 0.0100 -0.0124
C30 C31 1 1.3500 0.0100 -0.0123
C31 C32 1 1.3500 0.0100 -0.0125
C32 C33 1 1.3500 0.0100 -0.0123
C33 C34 1 1.3500 0.0100 -0.0124
C34 C35 1 1.3500 0.0100 0.0179
C35 C36 1 1.3500 0.0100 -0.0263

loop_
_restr_U_rigid_atom_site_label_1
_restr_U_rigid_atom_site_label_2
_restr_U_rigid_target_weight_param
_restr_U_rigid_U_parallel
_restr_U_rigid_diff
C30 C31 0.0100 0.1083 0.0084
C30 C32 0.0100 0.1490 -0.0086
C31 C32 0.0100 0.2635 -0.0095
C31 C33 0.0100 0.3421 -0.0077
C32 C33 0.0100 0.2381 0.0114
C32 C34 0.0100 0.1240 0.0098
C33 C34 0.0100 0.0883 0.0104
C33 C35 0.0100 0.1015 0.0040
C34 C35 0.0100 0.2181 0.0165

loop_
_restr_U_similar_atom_site_label_1
_restr_U_similar_atom_site_label_2
_restr_U_similar_weight_param
C30 C31 0.0400
C31 C32 0.0400
C32 C33 0.0400
C33 C34 0.0400
C34 C35 0.0400

