# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_ldpm188
_database_code_depnum_ccdc_archive 'CCDC 2386076'
loop_
_audit_author_name
_audit_author_address
'Sophie Corner'
;University of Manchester
United Kingdom
;
_audit_update_record             
;
2024-09-23 deposited with the CCDC.	2024-11-05 downloaded from the CCDC.
;
_manchester_internal_diff_code   ldpm188
_manchester_internal_coll_client SCC
_manchester_internal_coll_date   06/02/21
_manchester_internal_process_date 08/02/21
_manchester_internal_process_user SCC
_manchester_internal_solution_date 19/09/24
_manchester_internal_solution_user SCC
_manchester_internal_refinement_date 19/09/24
_manchester_internal_refinement_user SCC
_manchester_internal_validation_date 19/09/24
_manchester_internal_validation_user SCC
_manchester_internal_archive_date ?
_manchester_internal_archive_user ?
_refine_special_details          
;
The RESI and SAME commands were applied to address the C(CF3)3 groups at the same time. 
The three C(CF3)3 groups are disordered over two orientations, the occupancies were 
allowed to freely refine converging at a final ratio of 0.76:0.24. 
The Cl1, O1 and O2 atoms are also disordered over two orientations, these were linked to 
FVAR2, the Al-O and C-O distances were restrained to be approximately equal. 
The ISOR command was applied to F1_2. Similarity thermal restraints were applied to the 
disordered components and enhanced rigid bond restraints were applied to all atoms to aid refinement.
;
_vrf_PLAT090_ldpm188             
;
PROBLEM: Poor Data / Parameter Ratio (Zmax > 18) ........ 5.28 Note
RESPONSE: The reported data/parameter ratio in Olex2 is 9.74 and there
are no other indications of a poor quality data set. This error has likely 
arisen from Cifcheck assuming the structure is centrosymmetric.
;
_audit_creation_date             2024-09-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        '[Dy(Cpttt)2(Cl)(Al(OC(CF)3)3)3]'
_chemical_formula_moiety         'C46 H58 Al Cl Dy F27 O3'
_chemical_formula_sum            'C46 H58 Al Cl Dy F27 O3'
_chemical_formula_weight         1396.85
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         DyClOCFAl
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, z+1/2'

_cell_length_a                   21.2423(2)
_cell_length_b                   14.24450(10)
_cell_length_c                   18.1335(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5486.94(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    21078
_cell_measurement_temperature    99.97(10)
_cell_measurement_theta_max      76.0570
_cell_measurement_theta_min      3.7070
_shelx_estimated_absorpt_T_max   0.454
_shelx_estimated_absorpt_T_min   0.223
_exptl_absorpt_coefficient_mu    9.090
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.524
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.691
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2788
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-10 -6 -2 0.0515
10 6 2 0.0515
-10 3 7 0.0821
10 -3 -7 0.0821
-9 -6 -4 0.0649
9 6 4 0.0649
-12 3 4 0.1046
12 -3 -4 0.1046
1 1 -12 0.1038
-1 -1 12 0.1038
-2 8 -6 0.0936
2 -8 6 0.0936
-10 -4 -6 0.0580
-8 -7 4 0.0551
-9 -3 8 0.0729

_exptl_crystal_recrystallization_method 'Recrystallised from pentane.'
_exptl_crystal_size_max          0.236
_exptl_crystal_size_mid          0.191
_exptl_crystal_size_min          0.103
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-9.9944 -5.9944 -2.0045 -0.2743 -0.8512 0.4177
9.9944 5.9944 2.0045 0.2743 0.8512 -0.4177
-9.9909 2.9996 6.9883 -0.2457 -0.5567 -0.7828
9.9909 -2.9996 -6.9883 0.2457 0.5567 0.7828
-8.9943 -5.9946 -4.0024 -0.1439 -0.8053 0.5401
8.9943 5.9946 4.0024 0.1439 0.8053 -0.5401
-11.9873 2.9999 3.9894 -0.0477 -0.7341 -0.6597
11.9873 -2.9999 -3.9894 0.0477 0.7341 0.6597
1.0061 0.9990 -11.9902 0.8545 -0.0560 0.5670
-1.0061 -0.9990 11.9902 -0.8545 0.0560 -0.5670
-1.9877 7.9949 -5.9969 0.9443 -0.0503 -0.3660
1.9877 -7.9949 5.9969 -0.9443 0.0503 0.3660
-9.9905 -3.9958 -6.0015 0.1253 -0.8592 0.4662
-8.0004 -6.9940 3.9922 -0.7376 -0.6575 0.2178
-8.9978 -2.9965 7.9884 -0.7242 -0.5970 -0.3330

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0303
_diffrn_reflns_av_unetI/netI     0.0323
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            38414
_diffrn_reflns_point_group_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.941
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.373
_diffrn_reflns_theta_min         3.736
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.97(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    106.00 133.00   1.00    1.00    --   43.54  52.00-100.00   27
  2  ω    -20.00  21.00   1.00    1.00    --   43.54  52.00-100.00   41
  3  ω     84.00 109.00   1.00    1.00    --  108.20  52.00-100.00   25
  4  ω     38.00 132.00   1.00    1.00    --   46.06  20.00 -60.00   94
  5  ω     24.00  50.00   1.00    1.00    --   46.06  52.00-100.00   26
  6  ω    -42.00  12.00   1.00    1.00    --   46.06  40.00   0.00   54
  7  ω     12.00 133.00   1.00    1.00    --   46.06  40.00  30.00  121
  8  ω    147.00 198.00   1.00    1.00    --  108.20  50.00   0.00   51
  9  ω     23.00  64.00   1.00    1.00    --  108.20  50.00  30.00   41
 10  ω    148.00 190.00   1.00    1.00    --  108.20  10.00 150.00   42
 11  ω    156.00 197.00   1.00    1.00    --  108.20  50.00  60.00   41
 12  ω    153.00 197.00   1.00    1.00    --  108.20  50.00  30.00   44
 13  ω     92.00 142.00   1.00    1.00    --  108.20  50.00   0.00   50
 14  ω    105.00 131.00   1.00    1.00    --  108.20  50.00  30.00   26
 15  ω     20.00 131.00   1.00    1.00    --  108.20  50.00  60.00  111
 16  ω     45.00 195.00   1.00    1.00    --  108.20   0.00-180.00  150
 17  ω     23.00 192.00   1.00    1.00    --  108.20  50.00 -30.00  169
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC11 (RINC): quarter-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0006431000
_diffrn_orient_matrix_UB_12      0.0687560000
_diffrn_orient_matrix_UB_13      -0.0655879000
_diffrn_orient_matrix_UB_21      0.0704458000
_diffrn_orient_matrix_UB_22      0.0204349000
_diffrn_orient_matrix_UB_23      0.0122840000
_diffrn_orient_matrix_UB_31      0.0172818000
_diffrn_orient_matrix_UB_32      -0.0809175000
_diffrn_orient_matrix_UB_33      -0.0525785000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_reflns_Friedel_coverage         0.846
_reflns_Friedel_fraction_full    0.942
_reflns_Friedel_fraction_max     0.893
_reflns_number_gt                10124
_reflns_number_total             10820
_reflns_odcompleteness_completeness 99.80
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.654
_refine_diff_density_min         -0.716
_refine_diff_density_rms         0.102
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.332(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1110
_refine_ls_number_reflns         10820
_refine_ls_number_restraints     3091
_refine_ls_R_factor_all          0.0514
_refine_ls_R_factor_gt           0.0484
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0955P)²+9.5039P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1365
_refine_ls_wR_factor_ref         0.1398
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.668(6)
 0.332(6)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 O1A-C35_4 \\sim O1-C35_1 \\sim O2-C35_5 \\sim O2A-C35_2
 with sigma of 0.02
 Al1-O1A \\sim Al1-O1 \\sim Al1-O2 \\sim Al1-O2A
 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
Cl1 \\sim Cl1A \\sim Al1 \\sim O1 \\sim O1A \\sim O2 \\sim O3 \\sim F1_1 \\sim
F2_1 \\sim F3_1 \\sim F4_1 \\sim F5_1 \\sim F6_1 \\sim F7_1 \\sim F8_1 \\sim
F9_1 \\sim C35_1 \\sim C36_1 \\sim C37_1 \\sim C38_1 \\sim F1_2 \\sim F2_2
\\sim F3_2 \\sim F4_2 \\sim F5_2 \\sim F6_2 \\sim F7_2 \\sim F8_2 \\sim F9_2
\\sim C35_2 \\sim C36_2 \\sim C37_2 \\sim C38_2 \\sim F1_3 \\sim F2_3 \\sim
F3_3 \\sim F4_3 \\sim F5_3 \\sim F6_3 \\sim F7_3 \\sim F8_3 \\sim F9_3 \\sim
C35_3 \\sim C36_3 \\sim C37_3 \\sim C38_3 \\sim F1_4 \\sim F2_4 \\sim F3_4
\\sim F4_4 \\sim F5_4 \\sim F6_4 \\sim F7_4 \\sim F8_4 \\sim F9_4 \\sim C35_4
\\sim C36_4 \\sim C37_4 \\sim C38_4 \\sim F1_5 \\sim F2_5 \\sim F3_5 \\sim F4_5
\\sim F5_5 \\sim F6_5 \\sim F7_5 \\sim F8_5 \\sim F9_5 \\sim C35_5 \\sim C36_5
\\sim C37_5 \\sim C38_5 \\sim F1_6 \\sim F2_6 \\sim F3_6 \\sim F4_6 \\sim F5_6
\\sim F6_6 \\sim F7_6 \\sim F8_6 \\sim F9_6 \\sim C35_6 \\sim C36_6 \\sim C37_6
\\sim C38_6 \\sim O2A: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(F1_2) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
5. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Same fragment restrains
{F1_2, F2_2, F3_2, F4_2, F5_2, F6_2, F7_2, F8_2, F9_2, C35_2, C36_2, C37_2,
C38_2}
{F1_3, F2_3, F3_3, F4_3, F5_3, F6_3, F7_3, F8_3, F9_3, C35_3, C36_3, C37_3,
C38_3}
{F1_4, F2_4, F3_4, F4_4, F5_4, F6_4, F7_4, F8_4, F9_4, C35_4, C36_4, C37_4,
C38_4}
{F1_5, F2_5, F3_5, F4_5, F5_5, F6_5, F7_5, F8_5, F9_5, C35_5, C36_5, C37_5,
C38_5}
{F1_6, F2_6, F3_6, F4_6, F5_6, F6_6, F7_6, F8_6, F9_6, C35_6, C36_6, C37_6,
C38_6}
as
{F1_1, F2_1, F3_1, F4_1, F5_1, F6_1, F7_1, F8_1, F9_1, C35_1, C36_1, C37_1,
C38_1} sigma for 1-2: 0.02 1-3: 0.04
7. Others
 Sof(Cl1A)=Sof(O1A)=Sof(O2A)=Sof(F1)=Sof(F2)=Sof(F3)=Sof(F4)=Sof(F5)=Sof(F6)=
 Sof(F7)=Sof(F8)=Sof(F9)=Sof(C35)=Sof(C36)=Sof(C37)=Sof(C38)=Sof(F1)=Sof(F2)=
 Sof(F3)=Sof(F4)=Sof(F5)=Sof(F6)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(C35)=Sof(C36)=
 Sof(C37)=Sof(C38)=Sof(F1)=Sof(F2)=Sof(F3)=Sof(F4)=Sof(F5)=Sof(F6)=Sof(F7)=
 Sof(F8)=Sof(F9)=Sof(C35)=Sof(C36)=Sof(C37)=Sof(C38)=1-FVAR(1)
 Sof(Cl1)=Sof(O1)=Sof(O2)=Sof(F1)=Sof(F2)=Sof(F3)=Sof(F4)=Sof(F5)=Sof(F6)=
 Sof(F7)=Sof(F8)=Sof(F9)=Sof(C35)=Sof(C36)=Sof(C37)=Sof(C38)=Sof(F1)=Sof(F2)=
 Sof(F3)=Sof(F4)=Sof(F5)=Sof(F6)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(C35)=Sof(C36)=
 Sof(C37)=Sof(C38)=Sof(F1)=Sof(F2)=Sof(F3)=Sof(F4)=Sof(F5)=Sof(F6)=Sof(F7)=
 Sof(F8)=Sof(F9)=Sof(C35)=Sof(C36)=Sof(C37)=Sof(C38)=FVAR(1)
8.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C20(H20), C22(H22)
8.b Idealised Me refined as rotating group:
 C7(H7a,H7b,H7c), C8(H8a,H8b,H8c), C9(H9a,H9b,H9c), C11(H11a,H11b,H11c),
 C12(H12a,H12b,H12c), C13(H13a,H13b,H13c), C15(H15a,H15b,H15c), C16(H16a,H16b,
 H16c), C17(H17a,H17b,H17c), C24(H24a,H24b,H24c), C25(H25a,H25b,H25c), C26(H26a,
 H26b,H26c), C28(H28a,H28b,H28c), C29(H29a,H29b,H29c), C30(H30a,H30b,H30c),
 C32(H32a,H32b,H32c), C33(H33a,H33b,H33c), C34(H34a,H34b,H34c)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   diffmap
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 0.58660(2) 0.86658(2) 0.49912(6) 0.02527(13) Uani 1 1 d . U . . .
Cl1 Cl 0.52646(14) 0.69384(19) 0.5127(2) 0.0307(6) Uani 0.755(4) 1 d . U P A 1
Cl1A Cl 0.5252(5) 0.6941(7) 0.4720(7) 0.038(2) Uani 0.245(4) 1 d . U P A 2
Al1 Al 0.44734(8) 0.59479(12) 0.49348(16) 0.0254(4) Uani 1 1 d D U . . .
O1 O 0.3902(6) 0.6188(7) 0.5555(6) 0.044(2) Uani 0.755(4) 1 d D U P A 1
O1A O 0.4176(16) 0.623(3) 0.5803(15) 0.045(4) Uani 0.245(4) 1 d D U P A 2
O2 O 0.4183(5) 0.6227(8) 0.4073(6) 0.0389(19) Uani 0.755(4) 1 d D U P A 1
O3 O 0.4792(2) 0.4864(3) 0.4992(5) 0.0445(11) Uani 1 1 d . U . . .
C1 C 0.5699(4) 0.8854(6) 0.3527(5) 0.0344(16) Uani 1 1 d . U . . .
C2 C 0.5932(4) 0.9771(6) 0.3735(5) 0.0361(17) Uani 1 1 d . U . . .
C3 C 0.5490(4) 1.0146(6) 0.4251(5) 0.0366(17) Uani 1 1 d . U . . .
H3 H 0.553721 1.072862 0.449966 0.044 Uiso 1 1 calc R . . . .
C4 C 0.4971(4) 0.9529(6) 0.4340(5) 0.0334(16) Uani 1 1 d . U . . .
C5 C 0.5097(4) 0.8749(6) 0.3894(5) 0.0342(17) Uani 1 1 d . U . . .
H5 H 0.482603 0.822342 0.384014 0.041 Uiso 1 1 calc R . . . .
C6 C 0.5888(5) 0.8119(8) 0.2945(6) 0.043(2) Uani 1 1 d . U . . .
C7 C 0.5509(5) 0.8273(9) 0.2237(5) 0.052(2) Uani 1 1 d . U . . .
H7A H 0.564610 0.885651 0.200027 0.078 Uiso 1 1 calc GR . . . .
H7B H 0.506030 0.831625 0.235782 0.078 Uiso 1 1 calc GR . . . .
H7C H 0.557836 0.774480 0.190059 0.078 Uiso 1 1 calc GR . . . .
C8 C 0.5728(6) 0.7124(7) 0.3222(7) 0.055(3) Uani 1 1 d . U . . .
H8A H 0.584255 0.666264 0.284373 0.082 Uiso 1 1 calc GR . . . .
H8B H 0.527622 0.708104 0.332405 0.082 Uiso 1 1 calc GR . . . .
H8C H 0.596517 0.699440 0.367458 0.082 Uiso 1 1 calc GR . . . .
C9 C 0.6608(5) 0.8090(8) 0.2764(6) 0.054(2) Uani 1 1 d . U . . .
H9A H 0.672365 0.864899 0.247913 0.081 Uiso 1 1 calc GR . . . .
H9B H 0.670243 0.752598 0.247427 0.081 Uiso 1 1 calc GR . . . .
H9C H 0.684958 0.807650 0.322402 0.081 Uiso 1 1 calc GR . . . .
C10 C 0.6426(5) 1.0431(7) 0.3393(6) 0.048(2) Uani 1 1 d . U . . .
C11 C 0.6325(5) 1.0488(8) 0.2537(6) 0.054(2) Uani 1 1 d . U . . .
H11A H 0.639272 0.986660 0.231891 0.081 Uiso 1 1 calc GR . . . .
H11B H 0.662419 1.093570 0.232505 0.081 Uiso 1 1 calc GR . . . .
H11C H 0.589406 1.069594 0.243383 0.081 Uiso 1 1 calc GR . . . .
C12 C 0.7106(5) 1.0166(8) 0.3558(7) 0.056(3) Uani 1 1 d . U . . .
H12A H 0.719669 1.028609 0.407886 0.084 Uiso 1 1 calc GR . . . .
H12B H 0.738823 1.054266 0.324947 0.084 Uiso 1 1 calc GR . . . .
H12C H 0.716964 0.949838 0.345039 0.084 Uiso 1 1 calc GR . . . .
C13 C 0.6339(6) 1.1434(7) 0.3669(7) 0.055(3) Uani 1 1 d . U . . .
H13A H 0.588912 1.158375 0.368895 0.082 Uiso 1 1 calc GR . . . .
H13B H 0.655124 1.187020 0.333311 0.082 Uiso 1 1 calc GR . . . .
H13C H 0.652127 1.149327 0.416375 0.082 Uiso 1 1 calc GR . . . .
C14 C 0.4410(4) 0.9676(6) 0.4877(7) 0.043(2) Uani 1 1 d . U . . .
C15 C 0.4303(5) 1.0726(7) 0.4989(10) 0.065(3) Uani 1 1 d . U . . .
H15A H 0.468279 1.101071 0.519877 0.098 Uiso 1 1 calc GR . . . .
H15B H 0.394846 1.082087 0.532774 0.098 Uiso 1 1 calc GR . . . .
H15C H 0.420750 1.102110 0.451408 0.098 Uiso 1 1 calc GR . . . .
C16 C 0.4629(5) 0.9261(8) 0.5600(6) 0.052(2) Uani 1 1 d . U . . .
H16A H 0.502523 0.955844 0.574866 0.078 Uiso 1 1 calc GR . . . .
H16B H 0.469513 0.858410 0.554003 0.078 Uiso 1 1 calc GR . . . .
H16C H 0.430913 0.937016 0.597948 0.078 Uiso 1 1 calc GR . . . .
C17 C 0.3855(6) 0.9176(13) 0.4582(8) 0.082(5) Uani 1 1 d . U . . .
H17A H 0.348708 0.931468 0.488967 0.124 Uiso 1 1 calc GR . . . .
H17B H 0.393526 0.849869 0.458578 0.124 Uiso 1 1 calc GR . . . .
H17C H 0.377429 0.938340 0.407558 0.124 Uiso 1 1 calc GR . . . .
C18 C 0.6291(4) 0.8735(7) 0.6407(6) 0.0431(19) Uani 1 1 d . U . . .
C19 C 0.6571(4) 0.9527(7) 0.6037(5) 0.0415(18) Uani 1 1 d . U . . .
C20 C 0.6975(4) 0.9157(6) 0.5478(5) 0.0370(17) Uani 1 1 d . U . . .
H20 H 0.721633 0.952613 0.514549 0.044 Uiso 1 1 calc R . . . .
C21 C 0.6964(4) 0.8175(6) 0.5488(6) 0.0408(18) Uani 1 1 d . U . . .
C22 C 0.6534(4) 0.7911(7) 0.6041(6) 0.047(2) Uani 1 1 d . U . . .
H22 H 0.642068 0.728299 0.615625 0.056 Uiso 1 1 calc R . . . .
C23 C 0.5923(5) 0.8567(12) 0.7142(8) 0.065(4) Uani 1 1 d . U . . .
C24 C 0.5540(7) 0.7740(13) 0.7112(8) 0.086(4) Uani 1 1 d . U . . .
H24A H 0.580729 0.719144 0.701877 0.129 Uiso 1 1 calc GR . . . .
H24B H 0.523125 0.780213 0.671321 0.129 Uiso 1 1 calc GR . . . .
H24C H 0.531994 0.765956 0.758242 0.129 Uiso 1 1 calc GR . . . .
C25 C 0.5509(7) 0.9409(14) 0.7402(7) 0.083(4) Uani 1 1 d . U . . .
H25A H 0.515983 0.949868 0.705670 0.125 Uiso 1 1 calc GR . . . .
H25B H 0.576646 0.997938 0.741900 0.125 Uiso 1 1 calc GR . . . .
H25C H 0.534176 0.927680 0.789518 0.125 Uiso 1 1 calc GR . . . .
C26 C 0.6452(7) 0.8417(15) 0.7750(9) 0.094(5) Uani 1 1 d . U . . .
H26A H 0.625413 0.833980 0.823407 0.141 Uiso 1 1 calc GR . . . .
H26B H 0.673092 0.896520 0.775914 0.141 Uiso 1 1 calc GR . . . .
H26C H 0.669747 0.785479 0.763076 0.141 Uiso 1 1 calc GR . . . .
C27 C 0.6581(5) 1.0579(8) 0.6240(7) 0.052(2) Uani 1 1 d . U . . .
C28 C 0.6889(6) 1.0721(10) 0.7005(8) 0.072(3) Uani 1 1 d . U . . .
H28A H 0.660154 1.049882 0.739021 0.109 Uiso 1 1 calc GR . . . .
H28B H 0.697754 1.138900 0.708056 0.109 Uiso 1 1 calc GR . . . .
H28C H 0.728307 1.036414 0.702928 0.109 Uiso 1 1 calc GR . . . .
C29 C 0.5933(6) 1.1076(10) 0.6199(8) 0.064(3) Uani 1 1 d . U . . .
H29A H 0.580950 1.115004 0.568138 0.096 Uiso 1 1 calc GR . . . .
H29B H 0.596201 1.169440 0.643243 0.096 Uiso 1 1 calc GR . . . .
H29C H 0.561696 1.069616 0.645653 0.096 Uiso 1 1 calc GR . . . .
C30 C 0.7027(6) 1.1122(8) 0.5688(8) 0.065(3) Uani 1 1 d . U . . .
H30A H 0.745878 1.088858 0.574018 0.098 Uiso 1 1 calc GR . . . .
H30B H 0.701629 1.179465 0.579994 0.098 Uiso 1 1 calc GR . . . .
H30C H 0.688245 1.101891 0.518111 0.098 Uiso 1 1 calc GR . . . .
C31 C 0.7431(4) 0.7502(6) 0.5116(7) 0.048(2) Uani 1 1 d . U . . .
C32 C 0.7921(6) 0.7212(10) 0.5731(8) 0.071(3) Uani 1 1 d . U . . .
H32A H 0.770243 0.688330 0.613018 0.107 Uiso 1 1 calc GR . . . .
H32B H 0.812590 0.777572 0.592691 0.107 Uiso 1 1 calc GR . . . .
H32C H 0.824019 0.679623 0.551591 0.107 Uiso 1 1 calc GR . . . .
C33 C 0.7787(5) 0.7969(8) 0.4494(7) 0.055(2) Uani 1 1 d . U . . .
H33A H 0.804230 0.848455 0.469122 0.083 Uiso 1 1 calc GR . . . .
H33B H 0.748782 0.821670 0.413203 0.083 Uiso 1 1 calc GR . . . .
H33C H 0.806281 0.750801 0.425553 0.083 Uiso 1 1 calc GR . . . .
C34 C 0.7098(5) 0.6628(8) 0.4882(11) 0.074(4) Uani 1 1 d . U . . .
H34A H 0.740391 0.617884 0.468497 0.112 Uiso 1 1 calc GR . . . .
H34B H 0.678803 0.678166 0.450029 0.112 Uiso 1 1 calc GR . . . .
H34C H 0.688270 0.635072 0.530773 0.112 Uiso 1 1 calc GR . . . .
O2A O 0.3914(16) 0.613(3) 0.4279(16) 0.051(4) Uani 0.245(4) 1 d D U P A 2
F1_1 F 0.3385(5) 0.7642(7) 0.6141(7) 0.087(3) Uani 0.755(4) 1 d D U P A 1
F2_1 F 0.3124(6) 0.7013(9) 0.7150(7) 0.096(4) Uani 0.755(4) 1 d D U P A 1
F3_1 F 0.4094(5) 0.7340(9) 0.6863(8) 0.081(3) Uani 0.755(4) 1 d D U P A 1
F4_1 F 0.2612(7) 0.6375(9) 0.5811(8) 0.092(4) Uani 0.755(4) 1 d D U P A 1
F5_1 F 0.2989(6) 0.4968(8) 0.5642(6) 0.089(3) Uani 0.755(4) 1 d D U P A 1
F6_1 F 0.2723(6) 0.5340(9) 0.6736(7) 0.091(3) Uani 0.755(4) 1 d D U P A 1
F7_1 F 0.3853(7) 0.5407(12) 0.7442(5) 0.102(4) Uani 0.755(4) 1 d D U P A 1
F8_1 F 0.4002(9) 0.4478(9) 0.6501(7) 0.082(4) Uani 0.755(4) 1 d D U P A 1
F9_1 F 0.4643(5) 0.5667(9) 0.6710(6) 0.084(3) Uani 0.755(4) 1 d D U P A 1
C35_1 C 0.3647(7) 0.6055(10) 0.6260(8) 0.051(2) Uani 0.755(4) 1 d D U P A 1
C36_1 C 0.3555(6) 0.7011(10) 0.6662(8) 0.064(3) Uani 0.755(4) 1 d D U P A 1
C37_1 C 0.2966(7) 0.5655(11) 0.6126(8) 0.067(3) Uani 0.755(4) 1 d D U P A 1
C38_1 C 0.4032(7) 0.5391(11) 0.6761(8) 0.065(3) Uani 0.755(4) 1 d D U P A 1
F1_2 F 0.4606(12) 0.558(2) 0.2809(19) 0.078(6) Uani 0.245(4) 1 d D U P A 2
F2_2 F 0.3676(15) 0.558(3) 0.2313(16) 0.087(7) Uani 0.245(4) 1 d D U P A 2
F3_2 F 0.4126(15) 0.697(2) 0.2623(16) 0.070(5) Uani 0.245(4) 1 d D U P A 2
F4_2 F 0.3884(15) 0.440(2) 0.346(3) 0.084(6) Uani 0.245(4) 1 d D U P A 2
F5_2 F 0.3308(17) 0.507(2) 0.4432(16) 0.085(6) Uani 0.245(4) 1 d D U P A 2
F6_2 F 0.2878(15) 0.506(3) 0.338(2) 0.094(7) Uani 0.245(4) 1 d D U P A 2
F7_2 F 0.3116(19) 0.676(3) 0.2667(17) 0.098(6) Uani 0.245(4) 1 d D U P A 2
F8_2 F 0.2666(15) 0.635(3) 0.370(3) 0.100(6) Uani 0.245(4) 1 d D U P A 2
F9_2 F 0.3376(19) 0.761(2) 0.362(2) 0.093(6) Uani 0.245(4) 1 d D U P A 2
C35_2 C 0.3741(14) 0.605(2) 0.3551(13) 0.065(3) Uani 0.245(4) 1 d D U P A 2
C36_2 C 0.4050(13) 0.605(2) 0.2755(16) 0.075(4) Uani 0.245(4) 1 d D U P A 2
C37_2 C 0.3427(15) 0.506(2) 0.3683(18) 0.077(4) Uani 0.245(4) 1 d D U P A 2
C38_2 C 0.3204(15) 0.678(2) 0.3396(18) 0.083(4) Uani 0.245(4) 1 d D U P A 2
F1_3 F 0.5331(8) 0.2525(9) 0.4906(9) 0.061(3) Uani 0.755(4) 1 d D U P A 1
F2_3 F 0.4461(5) 0.3130(6) 0.5271(7) 0.069(3) Uani 0.755(4) 1 d D U P A 1
F3_3 F 0.4693(5) 0.3156(6) 0.4142(6) 0.069(2) Uani 0.755(4) 1 d D U P A 1
F4_3 F 0.5367(6) 0.3722(7) 0.6191(6) 0.075(3) Uani 0.755(4) 1 d D U P A 1
F5_3 F 0.6196(6) 0.3666(7) 0.5510(9) 0.071(3) Uani 0.755(4) 1 d D U P A 1
F6_3 F 0.5822(5) 0.5011(7) 0.5866(7) 0.069(3) Uani 0.755(4) 1 d D U P A 1
F7_3 F 0.5319(6) 0.4812(9) 0.3698(6) 0.085(3) Uani 0.755(4) 1 d D U P A 1
F8_3 F 0.6086(5) 0.5128(6) 0.4400(6) 0.063(2) Uani 0.755(4) 1 d D U P A 1
F9_3 F 0.6004(6) 0.3731(7) 0.3993(7) 0.067(3) Uani 0.755(4) 1 d D U P A 1
C35_3 C 0.5262(5) 0.4203(8) 0.4911(7) 0.0402(18) Uani 0.755(4) 1 d D U P A 1
C36_3 C 0.4919(5) 0.3239(7) 0.4840(8) 0.047(2) Uani 0.755(4) 1 d D U P A 1
C37_3 C 0.5679(7) 0.4212(9) 0.5617(8) 0.051(2) Uani 0.755(4) 1 d D U P A 1
C38_3 C 0.5648(7) 0.4411(8) 0.4224(8) 0.049(2) Uani 0.755(4) 1 d D U P A 1
F1_4 F 0.399(2) 0.448(3) 0.671(2) 0.085(7) Uani 0.245(4) 1 d D U P A 2
F2_4 F 0.3016(16) 0.480(3) 0.672(2) 0.087(6) Uani 0.245(4) 1 d D U P A 2
F3_4 F 0.3457(19) 0.461(2) 0.5662(17) 0.085(6) Uani 0.245(4) 1 d D U P A 2
F4_4 F 0.4493(15) 0.561(3) 0.7207(19) 0.088(6) Uani 0.245(4) 1 d D U P A 2
F5_4 F 0.4018(16) 0.708(2) 0.7263(19) 0.073(6) Uani 0.245(4) 1 d D U P A 2
F6_4 F 0.3513(17) 0.586(3) 0.7573(18) 0.095(6) Uani 0.245(4) 1 d D U P A 2
F7_4 F 0.2634(16) 0.584(3) 0.584(2) 0.081(6) Uani 0.245(4) 1 d D U P A 2
F8_4 F 0.2800(17) 0.680(3) 0.6741(18) 0.091(6) Uani 0.245(4) 1 d D U P A 2
F9_4 F 0.3149(17) 0.716(2) 0.5611(18) 0.087(6) Uani 0.245(4) 1 d D U P A 2
C35_4 C 0.3691(13) 0.600(2) 0.6298(15) 0.058(3) Uani 0.245(4) 1 d D U P A 2
C36_4 C 0.3522(16) 0.491(2) 0.6340(17) 0.070(3) Uani 0.245(4) 1 d D U P A 2
C37_4 C 0.3935(15) 0.615(2) 0.7113(16) 0.071(3) Uani 0.245(4) 1 d D U P A 2
C38_4 C 0.3060(14) 0.645(2) 0.6076(17) 0.067(4) Uani 0.245(4) 1 d D U P A 2
F1_5 F 0.3151(7) 0.7339(10) 0.4127(10) 0.115(4) Uani 0.755(4) 1 d D U P A 1
F2_5 F 0.2674(6) 0.6592(10) 0.3245(8) 0.094(4) Uani 0.755(4) 1 d D U P A 1
F3_5 F 0.2794(6) 0.5977(11) 0.4334(7) 0.096(3) Uani 0.755(4) 1 d D U P A 1
F4_5 F 0.3833(8) 0.7556(9) 0.3056(9) 0.114(4) Uani 0.755(4) 1 d D U P A 1
F5_5 F 0.4495(7) 0.6325(13) 0.2818(11) 0.128(5) Uani 0.755(4) 1 d D U P A 1
F6_5 F 0.3554(8) 0.6359(12) 0.2337(7) 0.108(4) Uani 0.755(4) 1 d D U P A 1
F7_5 F 0.3065(6) 0.4775(10) 0.3122(9) 0.103(4) Uani 0.755(4) 1 d D U P A 1
F8_5 F 0.4088(7) 0.4688(13) 0.3080(9) 0.109(4) Uani 0.755(4) 1 d D U P A 1
F9_5 F 0.3579(6) 0.4536(7) 0.4140(7) 0.087(3) Uani 0.755(4) 1 d D U P A 1
C35_5 C 0.3690(7) 0.6027(11) 0.3613(8) 0.060(2) Uani 0.755(4) 1 d D U P A 1
C36_5 C 0.3050(8) 0.6487(12) 0.3829(9) 0.078(3) Uani 0.755(4) 1 d D U P A 1
C37_5 C 0.3875(9) 0.6603(13) 0.2897(9) 0.085(3) Uani 0.755(4) 1 d D U P A 1
C38_5 C 0.3585(8) 0.4981(12) 0.3490(9) 0.073(3) Uani 0.755(4) 1 d D U P A 1
F1_6 F 0.532(2) 0.258(3) 0.470(3) 0.051(6) Uani 0.245(4) 1 d D U P A 2
F2_6 F 0.4399(11) 0.3144(19) 0.465(2) 0.058(5) Uani 0.245(4) 1 d D U P A 2
F3_6 F 0.5108(18) 0.367(2) 0.3853(15) 0.078(5) Uani 0.245(4) 1 d D U P A 2
F4_6 F 0.4882(15) 0.316(2) 0.5817(19) 0.079(6) Uani 0.245(4) 1 d D U P A 2
F5_6 F 0.5960(14) 0.359(2) 0.578(2) 0.072(6) Uani 0.245(4) 1 d D U P A 2
F6_6 F 0.5347(16) 0.4628(19) 0.6181(16) 0.072(5) Uani 0.245(4) 1 d D U P A 2
F7_6 F 0.5708(15) 0.5157(19) 0.4100(15) 0.059(5) Uani 0.245(4) 1 d D U P A 2
F8_6 F 0.6147(13) 0.4995(18) 0.5261(15) 0.068(5) Uani 0.245(4) 1 d D U P A 2
F9_6 F 0.6171(18) 0.384(2) 0.440(2) 0.075(6) Uani 0.245(4) 1 d D U P A 2
C35_6 C 0.5216(13) 0.424(2) 0.4974(14) 0.047(3) Uani 0.245(4) 1 d D U P A 2
C36_6 C 0.4985(13) 0.336(2) 0.4537(17) 0.055(4) Uani 0.245(4) 1 d D U P A 2
C37_6 C 0.5348(15) 0.388(2) 0.5790(16) 0.062(4) Uani 0.245(4) 1 d D U P A 2
C38_6 C 0.5840(13) 0.4566(19) 0.4636(15) 0.058(3) Uani 0.245(4) 1 d D U P A 2


_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 Cl1 2.783(3) . ?
Dy1 Cl1A 2.825(10) . ?
Dy1 C1 2.692(9) . ?
Dy1 C2 2.772(9) . ?
Dy1 C3 2.624(9) . ?
Dy1 C4 2.554(9) . ?
Dy1 C5 2.576(9) . ?
Dy1 C18 2.724(10) . ?
Dy1 C19 2.711(9) . ?
Dy1 C20 2.610(9) . ?
Dy1 C21 2.596(9) . ?
Dy1 C22 2.606(9) . ?
Cl1 Al1 2.222(3) . ?
Cl1A Al1 2.210(10) . ?
Al1 O1 1.691(9) . ?
Al1 O1A 1.74(2) . ?
Al1 O2 1.727(9) . ?
Al1 O3 1.689(5) . ?
Al1 O2A 1.702(19) . ?
O1 C35_1 1.401(13) . ?
O1A C35_4 1.41(2) . ?
O2 C35_5 1.368(13) . ?
O3 C35_3 1.380(13) . ?
O3 C35_6 1.27(3) . ?
C1 C2 1.445(12) . ?
C1 C5 1.449(12) . ?
C1 C6 1.541(13) . ?
C2 C3 1.429(12) . ?
C2 C10 1.540(13) . ?
C3 H3 0.9500 . ?
C3 C4 1.419(12) . ?
C4 C5 1.400(12) . ?
C4 C14 1.552(12) . ?
C5 H5 0.9500 . ?
C6 C7 1.529(14) . ?
C6 C8 1.542(15) . ?
C6 C9 1.566(14) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.568(16) . ?
C10 C12 1.522(15) . ?
C10 C13 1.526(14) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.526(12) . ?
C14 C16 1.511(15) . ?
C14 C17 1.478(15) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.441(14) . ?
C18 C22 1.444(14) . ?
C18 C23 1.564(16) . ?
C19 C20 1.429(13) . ?
C19 C27 1.542(14) . ?
C20 H20 0.9500 . ?
C20 C21 1.400(13) . ?
C21 C22 1.407(14) . ?
C21 C31 1.535(12) . ?
C22 H22 0.9500 . ?
C23 C24 1.43(2) . ?
C23 C25 1.56(2) . ?
C23 C26 1.589(18) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.546(17) . ?
C27 C29 1.551(14) . ?
C27 C30 1.581(19) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.580(16) . ?
C31 C33 1.513(16) . ?
C31 C34 1.494(14) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
O2A C35_2 1.37(2) . ?
F1_1 C36_1 1.354(17) . ?
F2_1 C36_1 1.273(15) . ?
F3_1 C36_1 1.288(15) . ?
F4_1 C37_1 1.394(18) . ?
F5_1 C37_1 1.316(16) . ?
F6_1 C37_1 1.300(17) . ?
F7_1 C38_1 1.292(16) . ?
F8_1 C38_1 1.385(18) . ?
F9_1 C38_1 1.360(16) . ?
C35_1 C36_1 1.558(16) . ?
C35_1 C37_1 1.57(2) . ?
C35_1 C38_1 1.54(2) . ?
F1_2 C36_2 1.36(2) . ?
F2_2 C36_2 1.31(2) . ?
F3_2 C36_2 1.35(2) . ?
F4_2 C37_2 1.42(2) . ?
F5_2 C37_2 1.38(2) . ?
F6_2 C37_2 1.28(2) . ?
F7_2 C38_2 1.34(2) . ?
F8_2 C38_2 1.41(2) . ?
F9_2 C38_2 1.30(2) . ?
C35_2 C36_2 1.58(2) . ?
C35_2 C37_2 1.58(3) . ?
C35_2 C38_2 1.56(3) . ?
F1_3 C36_3 1.348(12) . ?
F2_3 C36_3 1.257(14) . ?
F3_3 C36_3 1.360(15) . ?
F4_3 C37_3 1.417(17) . ?
F5_3 C37_3 1.358(16) . ?
F6_3 C37_3 1.262(15) . ?
F7_3 C38_3 1.314(16) . ?
F8_3 C38_3 1.417(16) . ?
F9_3 C38_3 1.298(14) . ?
C35_3 C36_3 1.560(12) . ?
C35_3 C37_3 1.557(17) . ?
C35_3 C38_3 1.520(17) . ?
F1_4 C36_4 1.34(2) . ?
F2_4 C36_4 1.29(2) . ?
F3_4 C36_4 1.31(2) . ?
F4_4 C37_4 1.42(2) . ?
F5_4 C37_4 1.36(2) . ?
F6_4 C37_4 1.29(2) . ?
F7_4 C38_4 1.33(2) . ?
F8_4 C38_4 1.42(2) . ?
F9_4 C38_4 1.32(2) . ?
C35_4 C36_4 1.60(2) . ?
C35_4 C37_4 1.58(2) . ?
C35_4 C38_4 1.54(2) . ?
F1_5 C36_5 1.345(18) . ?
F2_5 C36_5 1.336(16) . ?
F3_5 C36_5 1.290(19) . ?
F4_5 C37_5 1.39(2) . ?
F5_5 C37_5 1.38(2) . ?
F6_5 C37_5 1.272(18) . ?
F7_5 C38_5 1.323(17) . ?
F8_5 C38_5 1.366(19) . ?
F9_5 C38_5 1.339(18) . ?
C35_5 C36_5 1.560(19) . ?
C35_5 C37_5 1.58(2) . ?
C35_5 C38_5 1.523(19) . ?
F1_6 C36_6 1.35(2) . ?
F2_6 C36_6 1.30(2) . ?
F3_6 C36_6 1.34(2) . ?
F4_6 C37_6 1.42(2) . ?
F5_6 C37_6 1.36(2) . ?
F6_6 C37_6 1.29(2) . ?
F7_6 C38_6 1.32(2) . ?
F8_6 C38_6 1.44(2) . ?
F9_6 C38_6 1.33(2) . ?
C35_6 C36_6 1.55(2) . ?
C35_6 C37_6 1.59(3) . ?
C35_6 C38_6 1.53(2) . ?

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
C1 Dy1 Cl1 96.6(2) . . ?
C1 Dy1 Cl1A 81.6(3) . . ?
C1 Dy1 C2 30.6(3) . . ?
C1 Dy1 C18 165.9(3) . . ?
C1 Dy1 C19 135.9(3) . . ?
C2 Dy1 Cl1 126.7(2) . . ?
C2 Dy1 Cl1A 112.0(3) . . ?
C3 Dy1 Cl1 128.0(2) . . ?
C3 Dy1 Cl1A 118.0(3) . . ?
C3 Dy1 C1 51.3(3) . . ?
C3 Dy1 C2 30.5(3) . . ?
C3 Dy1 C18 123.7(3) . . ?
C3 Dy1 C19 99.4(3) . . ?
C4 Dy1 Cl1 97.2(2) . . ?
C4 Dy1 Cl1A 89.7(3) . . ?
C4 Dy1 C1 53.0(3) . . ?
C4 Dy1 C2 52.0(3) . . ?
C4 Dy1 C3 31.8(3) . . ?
C4 Dy1 C5 31.7(3) . . ?
C4 Dy1 C18 131.7(3) . . ?
C4 Dy1 C19 121.1(3) . . ?
C4 Dy1 C20 134.3(3) . . ?
C4 Dy1 C21 163.5(3) . . ?
C4 Dy1 C22 160.3(3) . . ?
C5 Dy1 Cl1 79.5(2) . . ?
C5 Dy1 Cl1A 67.2(3) . . ?
C5 Dy1 C1 31.8(3) . . ?
C5 Dy1 C2 51.0(3) . . ?
C5 Dy1 C3 51.3(3) . . ?
C5 Dy1 C18 159.5(3) . . ?
C5 Dy1 C19 150.4(3) . . ?
C5 Dy1 C20 145.1(3) . . ?
C5 Dy1 C21 148.2(3) . . ?
C5 Dy1 C22 158.1(3) . . ?
C18 Dy1 Cl1 95.8(2) . . ?
C18 Dy1 Cl1A 110.4(3) . . ?
C18 Dy1 C2 137.5(3) . . ?
C19 Dy1 Cl1 126.3(2) . . ?
C19 Dy1 Cl1A 140.4(3) . . ?
C19 Dy1 C2 106.9(3) . . ?
C19 Dy1 C18 30.7(3) . . ?
C20 Dy1 Cl1 128.4(2) . . ?
C20 Dy1 Cl1A 135.1(3) . . ?
C20 Dy1 C1 115.2(3) . . ?
C20 Dy1 C2 94.6(3) . . ?
C20 Dy1 C3 103.4(3) . . ?
C20 Dy1 C18 51.1(3) . . ?
C20 Dy1 C19 31.1(3) . . ?
C21 Dy1 Cl1 98.2(2) . . ?
C21 Dy1 Cl1A 103.9(3) . . ?
C21 Dy1 C1 119.2(3) . . ?
C21 Dy1 C2 113.1(3) . . ?
C21 Dy1 C3 131.9(3) . . ?
C21 Dy1 C18 52.0(3) . . ?
C21 Dy1 C19 51.9(3) . . ?
C21 Dy1 C20 31.2(3) . . ?
C21 Dy1 C22 31.4(3) . . ?
C22 Dy1 Cl1 79.7(2) . . ?
C22 Dy1 Cl1A 91.1(4) . . ?
C22 Dy1 C1 146.4(3) . . ?
C22 Dy1 C2 143.8(3) . . ?
C22 Dy1 C3 150.6(3) . . ?
C22 Dy1 C18 31.3(3) . . ?
C22 Dy1 C19 51.3(3) . . ?
C22 Dy1 C20 51.1(3) . . ?
Al1 Cl1 Dy1 153.45(16) . . ?
Al1 Cl1A Dy1 150.6(5) . . ?
O1 Al1 Cl1 108.1(4) . . ?
O1 Al1 O2 107.4(6) . . ?
O1A Al1 Cl1A 106.4(11) . . ?
O2 Al1 Cl1 105.4(4) . . ?
O3 Al1 Cl1 105.5(2) . . ?
O3 Al1 Cl1A 107.2(3) . . ?
O3 Al1 O1 115.6(5) . . ?
O3 Al1 O1A 107.4(14) . . ?
O3 Al1 O2 114.2(5) . . ?
O3 Al1 O2A 117.7(14) . . ?
O2A Al1 Cl1A 107.4(13) . . ?
O2A Al1 O1A 110.0(19) . . ?
C35_1 O1 Al1 149.1(11) . . ?
C35_4 O1A Al1 142(3) . . ?
C35_5 O2 Al1 141.0(10) . . ?
C35_3 O3 Al1 155.0(6) . . ?
C35_6 O3 Al1 157.8(12) . . ?
C2 C1 Dy1 77.8(5) . . ?
C2 C1 C5 106.0(7) . . ?
C2 C1 C6 134.7(8) . . ?
C5 C1 Dy1 69.7(5) . . ?
C5 C1 C6 118.3(8) . . ?
C6 C1 Dy1 125.0(6) . . ?
C1 C2 Dy1 71.6(5) . . ?
C1 C2 C10 132.8(9) . . ?
C3 C2 Dy1 69.0(5) . . ?
C3 C2 C1 106.5(7) . . ?
C3 C2 C10 118.9(8) . . ?
C10 C2 Dy1 135.4(6) . . ?
Dy1 C3 H3 115.2 . . ?
C2 C3 Dy1 80.5(5) . . ?
C2 C3 H3 124.7 . . ?
C4 C3 Dy1 71.4(5) . . ?
C4 C3 C2 110.7(7) . . ?
C4 C3 H3 124.7 . . ?
C3 C4 Dy1 76.9(5) . . ?
C3 C4 C14 125.7(8) . . ?
C5 C4 Dy1 75.0(5) . . ?
C5 C4 C3 106.0(7) . . ?
C5 C4 C14 128.0(8) . . ?
C14 C4 Dy1 110.3(6) . . ?
Dy1 C5 H5 115.3 . . ?
C1 C5 Dy1 78.5(5) . . ?
C1 C5 H5 124.7 . . ?
C4 C5 Dy1 73.3(5) . . ?
C4 C5 C1 110.6(7) . . ?
C4 C5 H5 124.7 . . ?
C1 C6 C8 110.1(8) . . ?
C1 C6 C9 114.6(9) . . ?
C7 C6 C1 109.9(8) . . ?
C7 C6 C8 106.9(10) . . ?
C7 C6 C9 110.0(9) . . ?
C8 C6 C9 105.0(8) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C2 C10 C11 109.7(9) . . ?
C12 C10 C2 114.6(8) . . ?
C12 C10 C11 109.7(9) . . ?
C12 C10 C13 106.4(10) . . ?
C13 C10 C2 110.9(9) . . ?
C13 C10 C11 105.1(9) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 C4 109.3(8) . . ?
C16 C14 C4 104.8(7) . . ?
C16 C14 C15 108.3(11) . . ?
C17 C14 C4 108.7(9) . . ?
C17 C14 C15 113.6(11) . . ?
C17 C14 C16 111.7(11) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Dy1 C16 H16A 57.8 . . ?
Dy1 C16 H16B 63.4 . . ?
Dy1 C16 H16C 156.8 . . ?
C14 C16 Dy1 93.5(6) . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 Dy1 74.1(5) . . ?
C19 C18 C22 106.0(9) . . ?
C19 C18 C23 136.3(11) . . ?
C22 C18 Dy1 69.8(5) . . ?
C22 C18 C23 116.5(10) . . ?
C23 C18 Dy1 129.1(7) . . ?
C18 C19 Dy1 75.1(5) . . ?
C18 C19 C27 130.9(9) . . ?
C20 C19 Dy1 70.6(5) . . ?
C20 C19 C18 106.8(8) . . ?
C20 C19 C27 121.3(9) . . ?
C27 C19 Dy1 127.9(6) . . ?
Dy1 C20 H20 114.9 . . ?
C19 C20 Dy1 78.3(5) . . ?
C19 C20 H20 124.8 . . ?
C21 C20 Dy1 73.8(5) . . ?
C21 C20 C19 110.5(8) . . ?
C21 C20 H20 124.8 . . ?
C20 C21 Dy1 75.0(5) . . ?
C20 C21 C22 106.7(8) . . ?
C20 C21 C31 127.4(8) . . ?
C22 C21 Dy1 74.7(5) . . ?
C22 C21 C31 124.4(8) . . ?
C31 C21 Dy1 126.7(7) . . ?
Dy1 C22 H22 114.3 . . ?
C18 C22 Dy1 78.8(5) . . ?
C18 C22 H22 125.0 . . ?
C21 C22 Dy1 73.9(5) . . ?
C21 C22 C18 110.0(8) . . ?
C21 C22 H22 125.0 . . ?
C18 C23 C26 104.9(10) . . ?
C24 C23 C18 112.2(13) . . ?
C24 C23 C25 108.9(12) . . ?
C24 C23 C26 108.5(12) . . ?
C25 C23 C18 115.0(11) . . ?
C25 C23 C26 106.9(14) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C19 C27 C28 110.3(10) . . ?
C19 C27 C29 114.8(9) . . ?
C19 C27 C30 109.4(9) . . ?
C28 C27 C29 111.1(10) . . ?
C28 C27 C30 104.5(10) . . ?
C29 C27 C30 106.1(11) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C21 C31 C32 106.3(9) . . ?
C33 C31 C21 112.1(8) . . ?
C33 C31 C32 108.2(9) . . ?
C34 C31 C21 109.7(8) . . ?
C34 C31 C32 107.1(10) . . ?
C34 C31 C33 113.0(12) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C35_2 O2A Al1 148(3) . . ?
O1 C35_1 C36_1 110.9(11) . . ?
O1 C35_1 C37_1 105.4(12) . . ?
O1 C35_1 C38_1 114.5(11) . . ?
C36_1 C35_1 C37_1 105.9(11) . . ?
C38_1 C35_1 C36_1 109.0(12) . . ?
C38_1 C35_1 C37_1 110.9(12) . . ?
F1_1 C36_1 C35_1 106.6(11) . . ?
F2_1 C36_1 F1_1 107.0(14) . . ?
F2_1 C36_1 F3_1 116.3(13) . . ?
F2_1 C36_1 C35_1 114.6(12) . . ?
F3_1 C36_1 F1_1 101.1(13) . . ?
F3_1 C36_1 C35_1 109.8(11) . . ?
F4_1 C37_1 C35_1 107.0(12) . . ?
F5_1 C37_1 F4_1 107.1(14) . . ?
F5_1 C37_1 C35_1 109.7(12) . . ?
F6_1 C37_1 F4_1 112.8(15) . . ?
F6_1 C37_1 F5_1 109.0(14) . . ?
F6_1 C37_1 C35_1 111.1(13) . . ?
F7_1 C38_1 F8_1 109.1(14) . . ?
F7_1 C38_1 F9_1 109.8(13) . . ?
F7_1 C38_1 C35_1 113.4(13) . . ?
F8_1 C38_1 C35_1 110.6(13) . . ?
F9_1 C38_1 F8_1 106.9(13) . . ?
F9_1 C38_1 C35_1 106.8(12) . . ?
O2A C35_2 C36_2 140(3) . . ?
O2A C35_2 C37_2 92(2) . . ?
O2A C35_2 C38_2 108(2) . . ?
C37_2 C35_2 C36_2 108(2) . . ?
C38_2 C35_2 C36_2 98.2(19) . . ?
C38_2 C35_2 C37_2 108(2) . . ?
F1_2 C36_2 C35_2 107(2) . . ?
F2_2 C36_2 F1_2 109(3) . . ?
F2_2 C36_2 F3_2 117(3) . . ?
F2_2 C36_2 C35_2 108(2) . . ?
F3_2 C36_2 F1_2 113(2) . . ?
F3_2 C36_2 C35_2 102(2) . . ?
F4_2 C37_2 C35_2 105(2) . . ?
F5_2 C37_2 F4_2 114(3) . . ?
F5_2 C37_2 C35_2 103(2) . . ?
F6_2 C37_2 F4_2 120(3) . . ?
F6_2 C37_2 F5_2 104(3) . . ?
F6_2 C37_2 C35_2 109(3) . . ?
F7_2 C38_2 F8_2 106(3) . . ?
F7_2 C38_2 C35_2 106(2) . . ?
F8_2 C38_2 C35_2 104(2) . . ?
F9_2 C38_2 F7_2 111(3) . . ?
F9_2 C38_2 F8_2 120(3) . . ?
F9_2 C38_2 C35_2 110(2) . . ?
O3 C35_3 C36_3 105.7(8) . . ?
O3 C35_3 C37_3 108.5(10) . . ?
O3 C35_3 C38_3 110.2(10) . . ?
C37_3 C35_3 C36_3 109.9(10) . . ?
C38_3 C35_3 C36_3 110.9(10) . . ?
C38_3 C35_3 C37_3 111.4(10) . . ?
F1_3 C36_3 F3_3 104.3(11) . . ?
F1_3 C36_3 C35_3 110.7(11) . . ?
F2_3 C36_3 F1_3 110.7(11) . . ?
F2_3 C36_3 F3_3 107.2(11) . . ?
F2_3 C36_3 C35_3 114.9(10) . . ?
F3_3 C36_3 C35_3 108.5(10) . . ?
F4_3 C37_3 C35_3 109.5(11) . . ?
F5_3 C37_3 F4_3 101.6(11) . . ?
F5_3 C37_3 C35_3 109.7(12) . . ?
F6_3 C37_3 F4_3 107.1(13) . . ?
F6_3 C37_3 F5_3 111.8(12) . . ?
F6_3 C37_3 C35_3 116.0(11) . . ?
F7_3 C38_3 F8_3 101.5(11) . . ?
F7_3 C38_3 C35_3 113.1(11) . . ?
F8_3 C38_3 C35_3 108.1(11) . . ?
F9_3 C38_3 F7_3 113.5(13) . . ?
F9_3 C38_3 F8_3 103.2(12) . . ?
F9_3 C38_3 C35_3 115.7(11) . . ?
O1A C35_4 C36_4 115(3) . . ?
O1A C35_4 C37_4 109(2) . . ?
O1A C35_4 C38_4 112(3) . . ?
C37_4 C35_4 C36_4 99.3(18) . . ?
C38_4 C35_4 C36_4 102.9(19) . . ?
C38_4 C35_4 C37_4 118(2) . . ?
F1_4 C36_4 C35_4 108(3) . . ?
F2_4 C36_4 F1_4 107(3) . . ?
F2_4 C36_4 F3_4 112(3) . . ?
F2_4 C36_4 C35_4 110(2) . . ?
F3_4 C36_4 F1_4 113(3) . . ?
F3_4 C36_4 C35_4 107(2) . . ?
F4_4 C37_4 C35_4 108(2) . . ?
F5_4 C37_4 F4_4 113(3) . . ?
F5_4 C37_4 C35_4 111(2) . . ?
F6_4 C37_4 F4_4 109(3) . . ?
F6_4 C37_4 F5_4 105(3) . . ?
F6_4 C37_4 C35_4 109(2) . . ?
F7_4 C38_4 F8_4 104(3) . . ?
F7_4 C38_4 C35_4 114(2) . . ?
F8_4 C38_4 C35_4 105(2) . . ?
F9_4 C38_4 F7_4 113(3) . . ?
F9_4 C38_4 F8_4 109(3) . . ?
F9_4 C38_4 C35_4 111(2) . . ?
O2 C35_5 C36_5 115.2(13) . . ?
O2 C35_5 C37_5 101.6(12) . . ?
O2 C35_5 C38_5 114.0(12) . . ?
C36_5 C35_5 C37_5 101.8(13) . . ?
C38_5 C35_5 C36_5 108.7(13) . . ?
C38_5 C35_5 C37_5 115.0(13) . . ?
F1_5 C36_5 C35_5 110.0(14) . . ?
F2_5 C36_5 F1_5 108.1(14) . . ?
F2_5 C36_5 C35_5 111.6(14) . . ?
F3_5 C36_5 F1_5 106.9(16) . . ?
F3_5 C36_5 F2_5 112.0(15) . . ?
F3_5 C36_5 C35_5 108.1(14) . . ?
F4_5 C37_5 C35_5 108.7(14) . . ?
F5_5 C37_5 F4_5 111.3(16) . . ?
F5_5 C37_5 C35_5 99.9(14) . . ?
F6_5 C37_5 F4_5 113.4(16) . . ?
F6_5 C37_5 F5_5 110.4(18) . . ?
F6_5 C37_5 C35_5 112.3(14) . . ?
F7_5 C38_5 F8_5 108.1(14) . . ?
F7_5 C38_5 F9_5 109.4(15) . . ?
F7_5 C38_5 C35_5 114.4(14) . . ?
F8_5 C38_5 C35_5 105.3(14) . . ?
F9_5 C38_5 F8_5 110.0(16) . . ?
F9_5 C38_5 C35_5 109.6(12) . . ?
O3 C35_6 C36_6 111(2) . . ?
O3 C35_6 C37_6 109(2) . . ?
O3 C35_6 C38_6 114(2) . . ?
C36_6 C35_6 C37_6 105.7(19) . . ?
C38_6 C35_6 C36_6 108(2) . . ?
C38_6 C35_6 C37_6 108.6(19) . . ?
F1_6 C36_6 C35_6 113(2) . . ?
F2_6 C36_6 F1_6 105(3) . . ?
F2_6 C36_6 F3_6 114(3) . . ?
F2_6 C36_6 C35_6 114(2) . . ?
F3_6 C36_6 F1_6 112(3) . . ?
F3_6 C36_6 C35_6 98(2) . . ?
F4_6 C37_6 C35_6 98.2(19) . . ?
F5_6 C37_6 F4_6 116(3) . . ?
F5_6 C37_6 C35_6 105(2) . . ?
F6_6 C37_6 F4_6 125(3) . . ?
F6_6 C37_6 F5_6 105(3) . . ?
F6_6 C37_6 C35_6 104(2) . . ?
F7_6 C38_6 F8_6 114(2) . . ?
F7_6 C38_6 F9_6 112(3) . . ?
F7_6 C38_6 C35_6 108(2) . . ?
F8_6 C38_6 C35_6 102(2) . . ?
F9_6 C38_6 F8_6 110(3) . . ?
F9_6 C38_6 C35_6 110(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 C1 C2 C3 -60.5(6) . . . . ?
Dy1 C1 C2 C10 135.6(10) . . . . ?
Dy1 C1 C5 C4 67.0(6) . . . . ?
Dy1 C1 C6 C7 158.2(7) . . . . ?
Dy1 C1 C6 C8 40.7(11) . . . . ?
Dy1 C1 C6 C9 -77.3(10) . . . . ?
Dy1 C2 C3 C4 -65.8(6) . . . . ?
Dy1 C2 C10 C11 154.3(7) . . . . ?
Dy1 C2 C10 C12 30.4(14) . . . . ?
Dy1 C2 C10 C13 -90.1(11) . . . . ?
Dy1 C3 C4 C5 -69.9(6) . . . . ?
Dy1 C3 C4 C14 105.7(9) . . . . ?
Dy1 C4 C5 C1 -70.4(7) . . . . ?
Dy1 C4 C14 C15 117.4(9) . . . . ?
Dy1 C4 C14 C16 1.5(9) . . . . ?
Dy1 C4 C14 C17 -118.1(10) . . . . ?
Dy1 C18 C19 C20 -63.9(6) . . . . ?
Dy1 C18 C19 C27 127.7(10) . . . . ?
Dy1 C18 C22 C21 68.1(7) . . . . ?
Dy1 C18 C23 C24 46.7(15) . . . . ?
Dy1 C18 C23 C25 -78.5(15) . . . . ?
Dy1 C18 C23 C26 164.3(10) . . . . ?
Dy1 C19 C20 C21 -67.6(6) . . . . ?
Dy1 C19 C27 C28 162.9(8) . . . . ?
Dy1 C19 C27 C29 36.5(15) . . . . ?
Dy1 C19 C27 C30 -82.6(10) . . . . ?
Dy1 C20 C21 C22 -68.6(6) . . . . ?
Dy1 C20 C21 C31 125.0(10) . . . . ?
Dy1 C21 C22 C18 -71.3(7) . . . . ?
Dy1 C21 C31 C32 -163.9(8) . . . . ?
Dy1 C21 C31 C33 78.1(10) . . . . ?
Dy1 C21 C31 C34 -48.4(13) . . . . ?
Cl1 Al1 O1 C35_1 -86(2) . . . . ?
Cl1 Al1 O2 C35_5 -171.4(16) . . . . ?
Cl1 Al1 O3 C35_3 -33(2) . . . . ?
Cl1A Al1 O1A C35_4 175(5) . . . . ?
Cl1A Al1 O3 C35_6 -3(4) . . . . ?
Cl1A Al1 O2A C35_2 71(6) . . . . ?
Al1 O1 C35_1 C36_1 124.5(17) . . . . ?
Al1 O1 C35_1 C37_1 -121.3(19) . . . . ?
Al1 O1 C35_1 C38_1 1(3) . . . . ?
Al1 O1A C35_4 C36_4 39(6) . . . . ?
Al1 O1A C35_4 C37_4 149(4) . . . . ?
Al1 O1A C35_4 C38_4 -78(5) . . . . ?
Al1 O2 C35_5 C36_5 75(2) . . . . ?
Al1 O2 C35_5 C37_5 -176.1(14) . . . . ?
Al1 O2 C35_5 C38_5 -52(2) . . . . ?
Al1 O3 C35_3 C36_3 -154.6(17) . . . . ?
Al1 O3 C35_3 C37_3 88(2) . . . . ?
Al1 O3 C35_3 C38_3 -35(3) . . . . ?
Al1 O3 C35_6 C36_6 -135(3) . . . . ?
Al1 O3 C35_6 C37_6 110(4) . . . . ?
Al1 O3 C35_6 C38_6 -12(5) . . . . ?
Al1 O2A C35_2 C36_2 -30(8) . . . . ?
Al1 O2A C35_2 C37_2 92(6) . . . . ?
Al1 O2A C35_2 C38_2 -159(5) . . . . ?
O1 Al1 O2 C35_5 -56.3(19) . . . . ?
O1 Al1 O3 C35_3 -153(2) . . . . ?
O1 C35_1 C36_1 F1_1 35.8(16) . . . . ?
O1 C35_1 C36_1 F2_1 153.9(15) . . . . ?
O1 C35_1 C36_1 F3_1 -73.0(18) . . . . ?
O1 C35_1 C37_1 F4_1 -68.2(14) . . . . ?
O1 C35_1 C37_1 F5_1 47.7(16) . . . . ?
O1 C35_1 C37_1 F6_1 168.2(13) . . . . ?
O1 C35_1 C38_1 F7_1 168.5(14) . . . . ?
O1 C35_1 C38_1 F8_1 -68.7(17) . . . . ?
O1 C35_1 C38_1 F9_1 47.3(16) . . . . ?
O1A Al1 O3 C35_6 -117(4) . . . . ?
O1A Al1 O2A C35_2 -174(5) . . . . ?
O1A C35_4 C36_4 F1_4 74(4) . . . . ?
O1A C35_4 C36_4 F2_4 -171(3) . . . . ?
O1A C35_4 C36_4 F3_4 -49(4) . . . . ?
O1A C35_4 C37_4 F4_4 -55(3) . . . . ?
O1A C35_4 C37_4 F5_4 70(3) . . . . ?
O1A C35_4 C37_4 F6_4 -174(3) . . . . ?
O1A C35_4 C38_4 F7_4 111(3) . . . . ?
O1A C35_4 C38_4 F8_4 -136(3) . . . . ?
O1A C35_4 C38_4 F9_4 -18(3) . . . . ?
O2 Al1 O1 C35_1 160.2(19) . . . . ?
O2 Al1 O3 C35_3 82(2) . . . . ?
O2 C35_5 C36_5 F1_5 35(2) . . . . ?
O2 C35_5 C36_5 F2_5 154.7(14) . . . . ?
O2 C35_5 C36_5 F3_5 -81.7(17) . . . . ?
O2 C35_5 C37_5 F4_5 -68.1(16) . . . . ?
O2 C35_5 C37_5 F5_5 48.5(16) . . . . ?
O2 C35_5 C37_5 F6_5 165.5(17) . . . . ?
O2 C35_5 C38_5 F7_5 172.0(15) . . . . ?
O2 C35_5 C38_5 F8_5 -69.5(17) . . . . ?
O2 C35_5 C38_5 F9_5 48.8(19) . . . . ?
O3 Al1 O1 C35_1 31(2) . . . . ?
O3 Al1 O1A C35_4 -71(5) . . . . ?
O3 Al1 O2 C35_5 73.2(18) . . . . ?
O3 Al1 O2A C35_2 -50(6) . . . . ?
O3 C35_3 C36_3 F1_3 -167.7(12) . . . . ?
O3 C35_3 C36_3 F2_3 -41.4(15) . . . . ?
O3 C35_3 C36_3 F3_3 78.5(12) . . . . ?
O3 C35_3 C37_3 F4_3 77.9(11) . . . . ?
O3 C35_3 C37_3 F5_3 -171.4(10) . . . . ?
O3 C35_3 C37_3 F6_3 -43.5(16) . . . . ?
O3 C35_3 C38_3 F7_3 -31.1(15) . . . . ?
O3 C35_3 C38_3 F8_3 80.5(12) . . . . ?
O3 C35_3 C38_3 F9_3 -164.4(12) . . . . ?
O3 C35_6 C36_6 F1_6 -160(3) . . . . ?
O3 C35_6 C36_6 F2_6 -39(3) . . . . ?
O3 C35_6 C36_6 F3_6 82(3) . . . . ?
O3 C35_6 C37_6 F4_6 88(2) . . . . ?
O3 C35_6 C37_6 F5_6 -152(2) . . . . ?
O3 C35_6 C37_6 F6_6 -42(3) . . . . ?
O3 C35_6 C38_6 F7_6 -36(3) . . . . ?
O3 C35_6 C38_6 F8_6 85(2) . . . . ?
O3 C35_6 C38_6 F9_6 -158(3) . . . . ?
C1 C2 C3 Dy1 62.2(6) . . . . ?
C1 C2 C3 C4 -3.6(10) . . . . ?
C1 C2 C10 C11 45.2(14) . . . . ?
C1 C2 C10 C12 -78.6(14) . . . . ?
C1 C2 C10 C13 160.9(10) . . . . ?
C2 C1 C5 Dy1 -70.1(6) . . . . ?
C2 C1 C5 C4 -3.0(10) . . . . ?
C2 C1 C6 C7 -92.5(13) . . . . ?
C2 C1 C6 C8 150.0(11) . . . . ?
C2 C1 C6 C9 32.0(15) . . . . ?
C2 C3 C4 Dy1 71.7(7) . . . . ?
C2 C3 C4 C5 1.8(10) . . . . ?
C2 C3 C4 C14 177.3(8) . . . . ?
C3 C2 C10 C11 -117.1(10) . . . . ?
C3 C2 C10 C12 119.0(10) . . . . ?
C3 C2 C10 C13 -1.5(13) . . . . ?
C3 C4 C5 Dy1 71.2(6) . . . . ?
C3 C4 C5 C1 0.8(10) . . . . ?
C3 C4 C14 C15 29.3(14) . . . . ?
C3 C4 C14 C16 -86.6(10) . . . . ?
C3 C4 C14 C17 153.8(11) . . . . ?
C4 C14 C16 Dy1 -1.2(7) . . . . ?
C5 C1 C2 Dy1 64.4(6) . . . . ?
C5 C1 C2 C3 3.9(10) . . . . ?
C5 C1 C2 C10 -160.0(9) . . . . ?
C5 C1 C6 C7 74.2(11) . . . . ?
C5 C1 C6 C8 -43.3(12) . . . . ?
C5 C1 C6 C9 -161.3(9) . . . . ?
C5 C4 C14 C15 -156.1(11) . . . . ?
C5 C4 C14 C16 88.0(12) . . . . ?
C5 C4 C14 C17 -31.6(15) . . . . ?
C6 C1 C2 Dy1 -127.7(11) . . . . ?
C6 C1 C2 C3 171.8(10) . . . . ?
C6 C1 C2 C10 7.8(18) . . . . ?
C6 C1 C5 Dy1 119.7(8) . . . . ?
C6 C1 C5 C4 -173.2(8) . . . . ?
C10 C2 C3 Dy1 -131.2(8) . . . . ?
C10 C2 C3 C4 163.0(8) . . . . ?
C14 C4 C5 Dy1 -104.2(9) . . . . ?
C14 C4 C5 C1 -174.6(9) . . . . ?
C15 C14 C16 Dy1 -117.8(6) . . . . ?
C17 C14 C16 Dy1 116.3(9) . . . . ?
C18 C19 C20 Dy1 67.0(6) . . . . ?
C18 C19 C20 C21 -0.6(10) . . . . ?
C18 C19 C27 C28 58.7(14) . . . . ?
C18 C19 C27 C29 -67.7(15) . . . . ?
C18 C19 C27 C30 173.2(10) . . . . ?
C19 C18 C22 Dy1 -65.9(6) . . . . ?
C19 C18 C22 C21 2.2(11) . . . . ?
C19 C18 C23 C24 156.6(12) . . . . ?
C19 C18 C23 C25 31.4(18) . . . . ?
C19 C18 C23 C26 -85.7(16) . . . . ?
C19 C20 C21 Dy1 70.6(6) . . . . ?
C19 C20 C21 C22 2.0(10) . . . . ?
C19 C20 C21 C31 -164.5(10) . . . . ?
C20 C19 C27 C28 -108.3(12) . . . . ?
C20 C19 C27 C29 125.4(11) . . . . ?
C20 C19 C27 C30 6.2(13) . . . . ?
C20 C21 C22 Dy1 68.8(6) . . . . ?
C20 C21 C22 C18 -2.6(10) . . . . ?
C20 C21 C31 C32 96.8(12) . . . . ?
C20 C21 C31 C33 -21.2(14) . . . . ?
C20 C21 C31 C34 -147.7(12) . . . . ?
C22 C18 C19 Dy1 63.0(6) . . . . ?
C22 C18 C19 C20 -0.9(10) . . . . ?
C22 C18 C19 C27 -169.3(9) . . . . ?
C22 C18 C23 C24 -38.1(14) . . . . ?
C22 C18 C23 C25 -163.3(11) . . . . ?
C22 C18 C23 C26 79.5(15) . . . . ?
C22 C21 C31 C32 -67.4(12) . . . . ?
C22 C21 C31 C33 174.6(9) . . . . ?
C22 C21 C31 C34 48.1(15) . . . . ?
C23 C18 C19 Dy1 -130.7(12) . . . . ?
C23 C18 C19 C20 165.4(11) . . . . ?
C23 C18 C19 C27 -3.0(18) . . . . ?
C23 C18 C22 Dy1 124.6(8) . . . . ?
C23 C18 C22 C21 -167.3(9) . . . . ?
C27 C19 C20 Dy1 -123.2(8) . . . . ?
C27 C19 C20 C21 169.2(8) . . . . ?
C31 C21 C22 Dy1 -124.3(9) . . . . ?
C31 C21 C22 C18 164.4(9) . . . . ?
O2A Al1 O1A C35_4 59(6) . . . . ?
O2A Al1 O3 C35_6 118(4) . . . . ?
O2A C35_2 C36_2 F1_2 38(5) . . . . ?
O2A C35_2 C36_2 F2_2 155(4) . . . . ?
O2A C35_2 C36_2 F3_2 -81(4) . . . . ?
O2A C35_2 C37_2 F4_2 -98(3) . . . . ?
O2A C35_2 C37_2 F5_2 22(3) . . . . ?
O2A C35_2 C37_2 F6_2 132(3) . . . . ?
O2A C35_2 C38_2 F7_2 172(3) . . . . ?
O2A C35_2 C38_2 F8_2 -77(3) . . . . ?
O2A C35_2 C38_2 F9_2 52(4) . . . . ?
C36_1 C35_1 C37_1 F4_1 49.4(15) . . . . ?
C36_1 C35_1 C37_1 F5_1 165.3(13) . . . . ?
C36_1 C35_1 C37_1 F6_1 -74.2(16) . . . . ?
C36_1 C35_1 C38_1 F7_1 43.6(17) . . . . ?
C36_1 C35_1 C38_1 F8_1 166.5(12) . . . . ?
C36_1 C35_1 C38_1 F9_1 -77.5(12) . . . . ?
C37_1 C35_1 C36_1 F1_1 -78.0(13) . . . . ?
C37_1 C35_1 C36_1 F2_1 40.1(19) . . . . ?
C37_1 C35_1 C36_1 F3_1 173.2(14) . . . . ?
C37_1 C35_1 C38_1 F7_1 -72.5(17) . . . . ?
C37_1 C35_1 C38_1 F8_1 50.3(15) . . . . ?
C37_1 C35_1 C38_1 F9_1 166.3(11) . . . . ?
C38_1 C35_1 C36_1 F1_1 162.7(11) . . . . ?
C38_1 C35_1 C36_1 F2_1 -79.2(17) . . . . ?
C38_1 C35_1 C36_1 F3_1 53.9(16) . . . . ?
C38_1 C35_1 C37_1 F4_1 167.5(12) . . . . ?
C38_1 C35_1 C37_1 F5_1 -76.7(15) . . . . ?
C38_1 C35_1 C37_1 F6_1 43.9(16) . . . . ?
C36_2 C35_2 C37_2 F4_2 46(3) . . . . ?
C36_2 C35_2 C37_2 F5_2 167(3) . . . . ?
C36_2 C35_2 C37_2 F6_2 -83(3) . . . . ?
C36_2 C35_2 C38_2 F7_2 22(3) . . . . ?
C36_2 C35_2 C38_2 F8_2 133(3) . . . . ?
C36_2 C35_2 C38_2 F9_2 -97(3) . . . . ?
C37_2 C35_2 C36_2 F1_2 -79(2) . . . . ?
C37_2 C35_2 C36_2 F2_2 38(3) . . . . ?
C37_2 C35_2 C36_2 F3_2 162(2) . . . . ?
C37_2 C35_2 C38_2 F7_2 -90(3) . . . . ?
C37_2 C35_2 C38_2 F8_2 21(3) . . . . ?
C37_2 C35_2 C38_2 F9_2 151(3) . . . . ?
C38_2 C35_2 C36_2 F1_2 169(2) . . . . ?
C38_2 C35_2 C36_2 F2_2 -74(3) . . . . ?
C38_2 C35_2 C36_2 F3_2 50(2) . . . . ?
C38_2 C35_2 C37_2 F4_2 152(3) . . . . ?
C38_2 C35_2 C37_2 F5_2 -88(3) . . . . ?
C38_2 C35_2 C37_2 F6_2 22(3) . . . . ?
C36_3 C35_3 C37_3 F4_3 -37.2(14) . . . . ?
C36_3 C35_3 C37_3 F5_3 73.5(13) . . . . ?
C36_3 C35_3 C37_3 F6_3 -158.6(13) . . . . ?
C36_3 C35_3 C38_3 F7_3 85.6(13) . . . . ?
C36_3 C35_3 C38_3 F8_3 -162.8(10) . . . . ?
C36_3 C35_3 C38_3 F9_3 -47.8(17) . . . . ?
C37_3 C35_3 C36_3 F1_3 -50.7(15) . . . . ?
C37_3 C35_3 C36_3 F2_3 75.5(14) . . . . ?
C37_3 C35_3 C36_3 F3_3 -164.6(11) . . . . ?
C37_3 C35_3 C38_3 F7_3 -151.6(12) . . . . ?
C37_3 C35_3 C38_3 F8_3 -40.1(13) . . . . ?
C37_3 C35_3 C38_3 F9_3 75.0(15) . . . . ?
C38_3 C35_3 C36_3 F1_3 72.9(14) . . . . ?
C38_3 C35_3 C36_3 F2_3 -160.9(12) . . . . ?
C38_3 C35_3 C36_3 F3_3 -40.9(13) . . . . ?
C38_3 C35_3 C37_3 F4_3 -160.6(10) . . . . ?
C38_3 C35_3 C37_3 F5_3 -49.9(13) . . . . ?
C38_3 C35_3 C37_3 F6_3 78.0(16) . . . . ?
C36_4 C35_4 C37_4 F4_4 65(3) . . . . ?
C36_4 C35_4 C37_4 F5_4 -170(2) . . . . ?
C36_4 C35_4 C37_4 F6_4 -54(3) . . . . ?
C36_4 C35_4 C38_4 F7_4 -13(3) . . . . ?
C36_4 C35_4 C38_4 F8_4 100(3) . . . . ?
C36_4 C35_4 C38_4 F9_4 -142(3) . . . . ?
C37_4 C35_4 C36_4 F1_4 -42(3) . . . . ?
C37_4 C35_4 C36_4 F2_4 73(3) . . . . ?
C37_4 C35_4 C36_4 F3_4 -165(3) . . . . ?
C37_4 C35_4 C38_4 F7_4 -121(3) . . . . ?
C37_4 C35_4 C38_4 F8_4 -8(3) . . . . ?
C37_4 C35_4 C38_4 F9_4 110(3) . . . . ?
C38_4 C35_4 C36_4 F1_4 -164(3) . . . . ?
C38_4 C35_4 C36_4 F2_4 -49(3) . . . . ?
C38_4 C35_4 C36_4 F3_4 73(3) . . . . ?
C38_4 C35_4 C37_4 F4_4 175(3) . . . . ?
C38_4 C35_4 C37_4 F5_4 -60(3) . . . . ?
C38_4 C35_4 C37_4 F6_4 56(3) . . . . ?
C36_5 C35_5 C37_5 F4_5 51.0(15) . . . . ?
C36_5 C35_5 C37_5 F5_5 167.6(13) . . . . ?
C36_5 C35_5 C37_5 F6_5 -75.4(19) . . . . ?
C36_5 C35_5 C38_5 F7_5 42.1(18) . . . . ?
C36_5 C35_5 C38_5 F8_5 160.7(13) . . . . ?
C36_5 C35_5 C38_5 F9_5 -81.1(16) . . . . ?
C37_5 C35_5 C36_5 F1_5 -74.3(16) . . . . ?
C37_5 C35_5 C36_5 F2_5 45.7(17) . . . . ?
C37_5 C35_5 C36_5 F3_5 169.3(13) . . . . ?
C37_5 C35_5 C38_5 F7_5 -71.2(19) . . . . ?
C37_5 C35_5 C38_5 F8_5 47.4(17) . . . . ?
C37_5 C35_5 C38_5 F9_5 165.6(14) . . . . ?
C38_5 C35_5 C36_5 F1_5 163.9(14) . . . . ?
C38_5 C35_5 C36_5 F2_5 -76.1(17) . . . . ?
C38_5 C35_5 C36_5 F3_5 47.5(16) . . . . ?
C38_5 C35_5 C37_5 F4_5 168.2(14) . . . . ?
C38_5 C35_5 C37_5 F5_5 -75.2(16) . . . . ?
C38_5 C35_5 C37_5 F6_5 42(2) . . . . ?
C36_6 C35_6 C37_6 F4_6 -31(3) . . . . ?
C36_6 C35_6 C37_6 F5_6 89(3) . . . . ?
C36_6 C35_6 C37_6 F6_6 -161(2) . . . . ?
C36_6 C35_6 C38_6 F7_6 88(3) . . . . ?
C36_6 C35_6 C38_6 F8_6 -151(2) . . . . ?
C36_6 C35_6 C38_6 F9_6 -34(3) . . . . ?
C37_6 C35_6 C36_6 F1_6 -42(3) . . . . ?
C37_6 C35_6 C36_6 F2_6 79(3) . . . . ?
C37_6 C35_6 C36_6 F3_6 -160(3) . . . . ?
C37_6 C35_6 C38_6 F7_6 -157(2) . . . . ?
C37_6 C35_6 C38_6 F8_6 -37(3) . . . . ?
C37_6 C35_6 C38_6 F9_6 80(3) . . . . ?
C38_6 C35_6 C36_6 F1_6 75(3) . . . . ?
C38_6 C35_6 C36_6 F2_6 -165(3) . . . . ?
C38_6 C35_6 C36_6 F3_6 -43(3) . . . . ?
C38_6 C35_6 C37_6 F4_6 -147(2) . . . . ?
C38_6 C35_6 C37_6 F5_6 -27(3) . . . . ?
C38_6 C35_6 C37_6 F6_6 83(3) . . . . ?

_olex2_exptl_crystal_mounting_method 'Mounted in fomblin.'
_olex2_submission_original_sample_id ldpm188
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.803
_oxdiff_exptl_absorpt_empirical_full_min 0.712
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.668(6)
2 0.332(6)
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# 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_adpm658
_database_code_depnum_ccdc_archive 'CCDC 2386077'
loop_
_audit_author_name
_audit_author_address
'Sophie Corner'
;University of Manchester
United Kingdom
;
_audit_update_record             
;
2024-09-23 deposited with the CCDC.	2024-11-05 downloaded from the CCDC.
;
_manchester_internal_diff_code   adpm658
_manchester_internal_coll_client SCC
_manchester_internal_coll_date   06/12/20
_manchester_internal_process_date 05/01/21
_manchester_internal_process_user SCC
_manchester_internal_solution_date 19/09/24
_manchester_internal_solution_user SCC
_manchester_internal_refinement_date 19/09/24
_manchester_internal_refinement_user SCC
_manchester_internal_validation_date 19/09/24
_manchester_internal_validation_user SCC
_manchester_internal_archive_date ?
_manchester_internal_archive_user ?
_refine_special_details          
;    
The free fluorobenzene molecule at F32 is disordered over 2 orientations, 
the occupancies were allowed to freely refine converging at a final ratio of 0.77:0.33. 
Chemically equivalent 1,2 and 1,3 distances were restrained to be approximately equal. 
Similarity thermal and enhanced rigid bond restraints were applied to the disordered 
components to aid refinement.
;
_vrf_PLAT910_adpm658             
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min). 34 Note
RESPONSE: These reflections were masked by the beamstop. The data is
of high quality therefore it was not deemed necessary to collect further
data.
;
_vrf_PLAT973_adpm658             
;
PROBLEM: Check Calcd Positive Resid. Density on Dy1 1.60 eA-3
RESPONSE: This density is near the heavy Dy atom and not chemically
significant.
;
_audit_creation_date             2024-09-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        '[Dy(Cpttt)2(Cl)(Al(CH2CH3)(OC(C6F5)3)2]'
_chemical_formula_moiety         'C74 H63 Al Cl Dy F30 O2, 2(C6 H5 F)'
_chemical_formula_sum            'C86 H73 Al Cl Dy F32 O2'
_chemical_formula_weight         1971.37
_chemical_melting_point          ?
_chemical_oxdiff_formula         DyAlBO2F30C74H67
_chemical_oxdiff_usercomment     sc74a
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'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.3345(3)
_cell_length_b                   16.0941(5)
_cell_length_c                   21.5697(7)
_cell_angle_alpha                72.902(3)
_cell_angle_beta                 78.936(2)
_cell_angle_gamma                85.763(2)
_cell_volume                     4015.9(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    13932
_cell_measurement_temperature    99.97(10)
_cell_measurement_theta_max      28.5800
_cell_measurement_theta_min      3.5720
_shelx_estimated_absorpt_T_max   0.838
_shelx_estimated_absorpt_T_min   0.630
_exptl_absorpt_coefficient_mu    1.098
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.609
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.630
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1978
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 23 7 0.0690
6 22 7 0.1115
0 1 29 0.1140
0 -1 -29 0.1140
-16 -4 -17 0.2131
-15 -12 -2 0.1711
17 1 2 0.2068
-2 -22 -1 0.0692
-3 21 0 0.1017
-2 16 -14 0.1051
1 16 -14 0.1101
12 13 -7 0.1715
2 -12 -28 0.1229
-1 19 23 0.1118
4 -10 22 0.1394
2 6 30 0.1148
1 18 25 0.0918

_exptl_crystal_recrystallization_method 'Recrystallised from fluorobenzene.'
_exptl_crystal_size_max          0.464
_exptl_crystal_size_mid          0.249
_exptl_crystal_size_min          0.167
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.0235 22.9977 7.0189 0.4782 -0.8940 0.0924
5.9727 22.0002 7.0148 0.4293 -0.8084 0.4337
0.0225 1.0020 29.0251 0.8749 0.4673 -0.1454
-0.0225 -1.0020 -29.0251 -0.8749 -0.4673 0.1454
-15.9951 -4.0069 -17.0073 -0.4537 -0.2332 -0.8590
-14.9735 -12.0045 -1.9997 -0.1074 0.3922 -0.9241
16.9858 1.0066 1.9923 -0.0341 0.1082 0.9781
-1.9712 -21.9982 -1.0121 -0.2755 0.9418 -0.2337
-3.0241 20.9963 0.0136 0.2650 -0.9496 -0.0558
-2.0301 15.9963 -14.0017 -0.2165 -0.9685 0.0469
0.9674 15.9974 -14.0034 -0.2351 -0.9478 0.2204
11.9675 13.0026 -7.0056 -0.1302 -0.6158 0.8031
1.9906 -11.9998 -28.0316 -0.9866 0.0508 0.1942
-1.0044 18.9990 23.0308 0.9137 -0.4417 -0.0711
4.0273 -9.9957 22.0107 0.5127 0.8580 0.0607
2.0153 6.0022 30.0276 0.9509 0.2775 -0.0069
0.9968 18.0000 25.0307 0.9491 -0.3484 0.0285

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0455
_diffrn_reflns_av_unetI/netI     0.0847
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.839
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            36237
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.839
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.360
_diffrn_reflns_theta_min         3.337
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.97(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0714
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.839
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -39.00   4.00   1.00    4.00    --  -17.16 -77.00 -90.00   43
  2  ω     -4.00  29.00   1.00    4.00    --   18.25  37.00 -90.00   33
  3  ω    -36.00  47.00   1.00    4.00    --   18.25 -77.00  30.00   83
  4  ω     -4.00  87.00   1.00    4.00    --   18.25  37.00   0.00   91
  5  ω    -10.00  36.00   1.00    4.00    --   18.25  77.00 150.00   46
  6  ω     39.00  67.00   1.00    4.00    --   18.25 178.00-150.00   28
  7  ω     38.00  89.00   1.00    4.00    --   18.25  37.00 -90.00   51
  8  ω     -8.00  22.00   1.00    4.00    --   18.25  77.00 -90.00   30
  9  ω      4.00  35.00   1.00    4.00    --   18.25 -57.00 120.00   31
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0061909000
_diffrn_orient_matrix_UB_12      0.0117117000
_diffrn_orient_matrix_UB_13      0.0297425000
_diffrn_orient_matrix_UB_21      0.0069272000
_diffrn_orient_matrix_UB_22      -0.0442428000
_diffrn_orient_matrix_UB_23      0.0176201000
_diffrn_orient_matrix_UB_31      0.0578637000
_diffrn_orient_matrix_UB_32      0.0056803000
_diffrn_orient_matrix_UB_33      -0.0052499000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15087
_reflns_number_total             18504
_reflns_odcompleteness_completeness 99.74
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.423
_refine_diff_density_min         -1.092
_refine_diff_density_rms         0.148
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1191
_refine_ls_number_reflns         18504
_refine_ls_number_restraints     445
_refine_ls_R_factor_all          0.0807
_refine_ls_R_factor_gt           0.0628
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0668P)²+15.3033P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1502
_refine_ls_wR_factor_ref         0.1607
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 F32A-C81A \\sim F32-C81
 with sigma of 0.02
 F32-C82 \\sim F32A-C82A \\sim F32-C86 \\sim F32A-C86A
 with sigma of 0.02
 C82-C81 \\sim C82A-C81A \\sim C83A-C82A \\sim C83-C82 \\sim C84A-C83A \\sim
C84-C83 \\sim C85A-C84A ~
 C85-C84 \\sim C86A-C85A \\sim C86-C85 \\sim C86A-C81A \\sim C86-C81
 with sigma of 0.02
 C86-C82 \\sim C85-C81 \\sim C83-C81 \\sim C84-C82 \\sim C85-C83 \\sim C86-C84
\\sim C86A-C82A \\sim C85A-
 C81A \\sim C83A-C81A \\sim C84A-C82A \\sim C85A-C83A \\sim C86A-C84A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
F32 \\sim C81 \\sim C82 \\sim C83 \\sim C84 \\sim C85 \\sim C86 \\sim F32A
\\sim C81A \\sim C82A \\sim C83A \\sim C84A \\sim C85A \\sim C86A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 F32, C81, C82, C83, C84, C85, C86, F32A, C81A, C82A, C83A, C84A, C85A, C86A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(F32A)=Sof(C81A)=Sof(C82A)=Sof(H82A)=Sof(C83A)=Sof(H83A)=Sof(C84A)=
 Sof(H84A)=Sof(C85A)=Sof(H85A)=Sof(C86A)=Sof(H86A)=1-FVAR(1)
 Sof(F32)=Sof(C81)=Sof(C82)=Sof(H82)=Sof(C83)=Sof(H83)=Sof(C84)=Sof(H84)=
 Sof(C85)=Sof(H85)=Sof(C86)=Sof(H86)=FVAR(1)
6.a Secondary CH2 refined with riding coordinates:
 C35(H35a,H35b)
6.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C20(H20), C22(H22), C76(H76), C77(H77), C78(H78), C79(H79),
 C80(H80), C82(H82), C83(H83), C84(H84), C85(H85), C86(H86), C82A(H82A),
 C83A(H83A), C84A(H84A), C85A(H85A), C86A(H86A)
6.c Idealised Me refined as rotating group:
 C7(H7a,H7b,H7c), C8(H8a,H8b,H8c), C9(H9a,H9b,H9c), C11(H11a,H11b,H11c),
 C12(H12a,H12b,H12c), C13(H13a,H13b,H13c), C15(H15a,H15b,H15c), C16(H16a,H16b,
 H16c), C17(H17a,H17b,H17c), C24(H24a,H24b,H24c), C25(H25a,H25b,H25c), C26(H26a,
 H26b,H26c), C28(H28a,H28b,H28c), C29(H29a,H29b,H29c), C30(H30a,H30b,H30c),
 C32(H32a,H32b,H32c), C33(H33a,H33b,H33c), C34(H34a,H34b,H34c), C36(H36a,H36b,
 H36c)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   diffmap
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 0.66930(2) 0.44271(2) 0.21845(2) 0.01443(8) Uani 1 1 d . . . . .
Cl1 Cl 0.63077(10) 0.60021(8) 0.24312(6) 0.0179(2) Uani 1 1 d . . . . .
Al1 Al 0.57240(11) 0.71262(10) 0.28912(7) 0.0136(3) Uani 1 1 d . . . . .
F1 F 0.2138(2) 0.8043(2) 0.29164(15) 0.0252(7) Uani 1 1 d . . . . .
F2 F 0.1415(3) 0.8250(3) 0.40776(18) 0.0391(9) Uani 1 1 d . . . . .
F3 F 0.2653(4) 0.9050(3) 0.46411(18) 0.0436(10) Uani 1 1 d . . . . .
F4 F 0.4722(3) 0.9569(2) 0.40090(18) 0.0396(9) Uani 1 1 d . . . . .
F5 F 0.5545(3) 0.9288(2) 0.28538(16) 0.0266(7) Uani 1 1 d . . . . .
F6 F 0.4255(3) 0.6839(2) 0.18593(19) 0.0319(8) Uani 1 1 d . . . . .
F7 F 0.2763(3) 0.6536(3) 0.1241(2) 0.0485(11) Uani 1 1 d . . . . .
F8 F 0.1184(3) 0.7743(3) 0.08539(19) 0.0377(9) Uani 1 1 d . . . . .
F9 F 0.1147(3) 0.9297(2) 0.11085(17) 0.0296(8) Uani 1 1 d . . . . .
F10 F 0.2662(3) 0.9639(2) 0.17305(17) 0.0276(7) Uani 1 1 d . . . . .
F11 F 0.4261(3) 1.0436(2) 0.21560(17) 0.0272(7) Uani 1 1 d . . . . .
F12 F 0.5303(3) 1.1693(2) 0.1206(2) 0.0439(10) Uani 1 1 d . . . . .
F13 F 0.6417(3) 1.1409(3) 0.0072(2) 0.0483(11) Uani 1 1 d . . . . .
F14 F 0.6548(3) 0.9772(3) -0.00564(17) 0.0356(8) Uani 1 1 d . . . . .
F15 F 0.5654(3) 0.8453(2) 0.09255(15) 0.0241(7) Uani 1 1 d . . . . .
F16 F 0.6101(3) 0.8022(2) 0.40603(16) 0.0269(7) Uani 1 1 d . . . . .
F17 F 0.6315(3) 0.8936(2) 0.48578(17) 0.0356(8) Uani 1 1 d . . . . .
F18 F 0.8194(3) 0.9808(3) 0.4703(2) 0.0452(10) Uani 1 1 d . . . . .
F19 F 0.9909(3) 0.9716(2) 0.3729(2) 0.0388(9) Uani 1 1 d . . . . .
F20 F 0.9745(2) 0.8778(2) 0.29185(17) 0.0282(7) Uani 1 1 d . . . . .
F21 F 0.7750(3) 0.9710(2) 0.24006(17) 0.0289(7) Uani 1 1 d . . . . .
F22 F 0.8113(3) 1.0508(2) 0.11281(19) 0.0374(9) Uani 1 1 d . . . . .
F23 F 0.8770(3) 0.9612(3) 0.02316(17) 0.0411(10) Uani 1 1 d . . . . .
F24 F 0.8956(3) 0.7845(3) 0.06560(16) 0.0331(8) Uani 1 1 d . . . . .
F25 F 0.8553(2) 0.7016(2) 0.19333(15) 0.0219(7) Uani 1 1 d . . . . .
F26 F 0.7480(3) 0.6458(2) 0.41788(16) 0.0304(8) Uani 1 1 d . . . . .
F27 F 0.8844(4) 0.5181(3) 0.46358(19) 0.0504(11) Uani 1 1 d . . . . .
F28 F 1.0931(4) 0.5068(3) 0.3963(2) 0.0484(11) Uani 1 1 d . . . . .
F29 F 1.1602(3) 0.6291(2) 0.27978(18) 0.0333(8) Uani 1 1 d . . . . .
F30 F 1.0274(2) 0.7550(2) 0.23103(15) 0.0231(7) Uani 1 1 d . . . . .
O1 O 0.5262(3) 0.7917(2) 0.22495(17) 0.0164(7) Uani 1 1 d . . . . .
O2 O 0.6910(3) 0.7412(2) 0.30701(18) 0.0188(8) Uani 1 1 d . . . . .
C1 C 0.5867(5) 0.3468(5) 0.3434(3) 0.0367(15) Uani 1 1 d . . . . .
C2 C 0.6140(5) 0.2824(4) 0.3079(3) 0.0351(14) Uani 1 1 d . . . . .
C3 C 0.5480(5) 0.3045(4) 0.2573(3) 0.0358(15) Uani 1 1 d . . . . .
H3 H 0.550983 0.275052 0.224756 0.043 Uiso 1 1 calc R . . . .
C4 C 0.4763(5) 0.3779(4) 0.2630(3) 0.0354(15) Uani 1 1 d . . . . .
C5 C 0.5045(5) 0.4030(4) 0.3137(3) 0.0343(14) Uani 1 1 d . . . . .
H5 H 0.472814 0.451950 0.327252 0.041 Uiso 1 1 calc R . . . .
C6 C 0.6104(6) 0.3558(4) 0.4108(3) 0.0339(14) Uani 1 1 d . . . . .
C7 C 0.5041(7) 0.3174(6) 0.4598(4) 0.060(2) Uani 1 1 d . . . . .
H7A H 0.439292 0.350550 0.445033 0.089 Uiso 1 1 calc GR . . . .
H7B H 0.508377 0.321050 0.503833 0.089 Uiso 1 1 calc GR . . . .
H7C H 0.497809 0.256450 0.461399 0.089 Uiso 1 1 calc GR . . . .
C8 C 0.6150(7) 0.4492(5) 0.4098(4) 0.0469(18) Uani 1 1 d . . . . .
H8A H 0.673232 0.478531 0.373878 0.070 Uiso 1 1 calc GR . . . .
H8B H 0.631123 0.451959 0.451933 0.070 Uiso 1 1 calc GR . . . .
H8C H 0.543713 0.478132 0.403021 0.070 Uiso 1 1 calc GR . . . .
C9 C 0.7069(7) 0.3070(5) 0.4390(5) 0.059(2) Uani 1 1 d . . . . .
H9A H 0.697549 0.244432 0.447496 0.089 Uiso 1 1 calc GR . . . .
H9B H 0.710521 0.319493 0.480317 0.089 Uiso 1 1 calc GR . . . .
H9C H 0.775343 0.325165 0.407466 0.089 Uiso 1 1 calc GR . . . .
C10 C 0.6673(5) 0.1930(4) 0.3279(3) 0.0269(12) Uani 1 1 d . . . . .
C11 C 0.6067(7) 0.1391(5) 0.3926(4) 0.0503(19) Uani 1 1 d . . . . .
H11A H 0.616989 0.163092 0.427784 0.075 Uiso 1 1 calc GR . . . .
H11B H 0.635581 0.079159 0.401308 0.075 Uiso 1 1 calc GR . . . .
H11C H 0.527773 0.139639 0.390885 0.075 Uiso 1 1 calc GR . . . .
C12 C 0.7929(6) 0.1950(5) 0.3258(5) 0.059(2) Uani 1 1 d . . . . .
H12A H 0.830865 0.213967 0.279810 0.089 Uiso 1 1 calc GR . . . .
H12B H 0.819665 0.136608 0.347086 0.089 Uiso 1 1 calc GR . . . .
H12C H 0.807999 0.235526 0.349080 0.089 Uiso 1 1 calc GR . . . .
C13 C 0.6586(6) 0.1461(5) 0.2767(3) 0.0414(16) Uani 1 1 d . . . . .
H13A H 0.580694 0.142497 0.274038 0.062 Uiso 1 1 calc GR . . . .
H13B H 0.690602 0.087375 0.289720 0.062 Uiso 1 1 calc GR . . . .
H13C H 0.698821 0.178539 0.233531 0.062 Uiso 1 1 calc GR . . . .
C14 C 0.3986(4) 0.4192(4) 0.2161(3) 0.0288(13) Uani 1 1 d . . . . .
C15 C 0.3458(6) 0.3523(6) 0.1956(4) 0.054(2) Uani 1 1 d . . . . .
H15A H 0.400240 0.330045 0.164607 0.081 Uiso 1 1 calc GR . . . .
H15B H 0.283289 0.379080 0.174385 0.081 Uiso 1 1 calc GR . . . .
H15C H 0.319471 0.304254 0.234631 0.081 Uiso 1 1 calc GR . . . .
C16 C 0.4671(6) 0.4854(5) 0.1560(3) 0.0426(17) Uani 1 1 d . . . . .
H16A H 0.489494 0.533086 0.170184 0.064 Uiso 1 1 calc GR . . . .
H16B H 0.421893 0.508673 0.121821 0.064 Uiso 1 1 calc GR . . . .
H16C H 0.532977 0.455989 0.138325 0.064 Uiso 1 1 calc GR . . . .
C17 C 0.3096(6) 0.4708(6) 0.2498(4) 0.052(2) Uani 1 1 d . . . . .
H17A H 0.269314 0.431581 0.290167 0.078 Uiso 1 1 calc GR . . . .
H17B H 0.258093 0.497933 0.219949 0.078 Uiso 1 1 calc GR . . . .
H17C H 0.344398 0.516049 0.260988 0.078 Uiso 1 1 calc GR . . . .
C18 C 0.7689(5) 0.5122(4) 0.0898(3) 0.0318(14) Uani 1 1 d . . . . .
C19 C 0.7789(5) 0.4192(4) 0.1008(3) 0.0323(14) Uani 1 1 d . . . . .
C20 C 0.8450(5) 0.3860(5) 0.1514(3) 0.0351(14) Uani 1 1 d . . . . .
H20 H 0.862881 0.326401 0.169567 0.042 Uiso 1 1 calc R . . . .
C21 C 0.8797(5) 0.4571(5) 0.1701(4) 0.0374(16) Uani 1 1 d . . . . .
C22 C 0.8306(5) 0.5320(5) 0.1331(3) 0.0351(14) Uani 1 1 d . . . . .
H22 H 0.837587 0.588831 0.136492 0.042 Uiso 1 1 calc R . . . .
C23 C 0.7272(6) 0.5900(4) 0.0371(3) 0.0309(14) Uani 1 1 d . . . . .
C24 C 0.6773(7) 0.6643(4) 0.0640(3) 0.0423(17) Uani 1 1 d . . . . .
H24A H 0.602918 0.648856 0.089159 0.063 Uiso 1 1 calc GR . . . .
H24B H 0.672894 0.716838 0.027311 0.063 Uiso 1 1 calc GR . . . .
H24C H 0.723715 0.675022 0.092823 0.063 Uiso 1 1 calc GR . . . .
C25 C 0.6498(6) 0.5748(5) -0.0038(4) 0.0428(17) Uani 1 1 d . . . . .
H25A H 0.683509 0.533133 -0.027345 0.064 Uiso 1 1 calc GR . . . .
H25B H 0.634521 0.629900 -0.035652 0.064 Uiso 1 1 calc GR . . . .
H25C H 0.580561 0.551532 0.024890 0.064 Uiso 1 1 calc GR . . . .
C26 C 0.8373(6) 0.6236(5) -0.0132(4) 0.0463(18) Uani 1 1 d . . . . .
H26A H 0.884748 0.648391 0.008222 0.070 Uiso 1 1 calc GR . . . .
H26B H 0.819033 0.668337 -0.051884 0.070 Uiso 1 1 calc GR . . . .
H26C H 0.876348 0.574952 -0.026997 0.070 Uiso 1 1 calc GR . . . .
C27 C 0.7581(4) 0.3629(4) 0.0576(3) 0.0217(11) Uani 1 1 d . . . . .
C28 C 0.8334(6) 0.3966(5) -0.0086(3) 0.0420(17) Uani 1 1 d . . . . .
H28A H 0.797765 0.446641 -0.036101 0.063 Uiso 1 1 calc GR . . . .
H28B H 0.847506 0.350560 -0.030550 0.063 Uiso 1 1 calc GR . . . .
H28C H 0.903474 0.414416 -0.001802 0.063 Uiso 1 1 calc GR . . . .
C29 C 0.6388(6) 0.3561(5) 0.0525(4) 0.0436(17) Uani 1 1 d . . . . .
H29A H 0.599072 0.320204 0.094628 0.065 Uiso 1 1 calc GR . . . .
H29B H 0.635226 0.329228 0.017641 0.065 Uiso 1 1 calc GR . . . .
H29C H 0.604576 0.414267 0.041967 0.065 Uiso 1 1 calc GR . . . .
C30 C 0.7983(5) 0.2699(4) 0.0882(3) 0.0341(14) Uani 1 1 d . . . . .
H30A H 0.875549 0.270791 0.093079 0.051 Uiso 1 1 calc GR . . . .
H30B H 0.792488 0.233905 0.059354 0.051 Uiso 1 1 calc GR . . . .
H30C H 0.752657 0.245473 0.131499 0.051 Uiso 1 1 calc GR . . . .
C31 C 0.9551(5) 0.4479(5) 0.2199(3) 0.0337(15) Uani 1 1 d . . . . .
C32 C 1.0299(6) 0.5264(5) 0.1956(4) 0.051(2) Uani 1 1 d . . . . .
H32A H 1.082124 0.522598 0.156016 0.076 Uiso 1 1 calc GR . . . .
H32B H 1.070851 0.527259 0.230084 0.076 Uiso 1 1 calc GR . . . .
H32C H 0.984942 0.579723 0.185022 0.076 Uiso 1 1 calc GR . . . .
C33 C 1.0213(6) 0.3660(5) 0.2320(4) 0.052(2) Uani 1 1 d . . . . .
H33A H 0.971684 0.316502 0.250948 0.077 Uiso 1 1 calc GR . . . .
H33B H 1.070118 0.366070 0.262897 0.077 Uiso 1 1 calc GR . . . .
H33C H 1.065741 0.361275 0.190357 0.077 Uiso 1 1 calc GR . . . .
C34 C 0.8763(6) 0.4536(6) 0.2853(4) 0.058(2) Uani 1 1 d . . . . .
H34A H 0.845457 0.512754 0.279260 0.087 Uiso 1 1 calc GR . . . .
H34B H 0.918246 0.439118 0.321455 0.087 Uiso 1 1 calc GR . . . .
H34C H 0.816058 0.412468 0.295924 0.087 Uiso 1 1 calc GR . . . .
C35 C 0.4661(4) 0.6657(3) 0.3695(2) 0.0174(10) Uani 1 1 d . . . . .
H35A H 0.506393 0.623915 0.401351 0.021 Uiso 1 1 calc R . . . .
H35B H 0.440047 0.714236 0.388500 0.021 Uiso 1 1 calc R . . . .
C36 C 0.3638(4) 0.6200(4) 0.3657(3) 0.0274(13) Uani 1 1 d . . . . .
H36A H 0.319689 0.661026 0.336592 0.041 Uiso 1 1 calc GR . . . .
H36B H 0.319241 0.599272 0.409892 0.041 Uiso 1 1 calc GR . . . .
H36C H 0.387055 0.570527 0.348217 0.041 Uiso 1 1 calc GR . . . .
C37 C 0.4428(4) 0.8533(3) 0.2139(2) 0.0173(10) Uani 1 1 d . . . . .
C38 C 0.3874(4) 0.8690(3) 0.2808(3) 0.0178(10) Uani 1 1 d . . . . .
C39 C 0.2829(4) 0.8436(4) 0.3148(3) 0.0221(11) Uani 1 1 d . . . . .
C40 C 0.2425(5) 0.8543(4) 0.3768(3) 0.0275(13) Uani 1 1 d . . . . .
C41 C 0.3054(5) 0.8933(4) 0.4053(3) 0.0309(14) Uani 1 1 d . . . . .
C42 C 0.4096(5) 0.9189(4) 0.3735(3) 0.0286(13) Uani 1 1 d . . . . .
C43 C 0.4502(4) 0.9045(4) 0.3135(3) 0.0221(11) Uani 1 1 d . . . . .
C44 C 0.3558(4) 0.8275(3) 0.1801(2) 0.0153(10) Uani 1 1 d . . . . .
C45 C 0.3527(4) 0.7486(3) 0.1678(3) 0.0205(11) Uani 1 1 d . . . . .
C46 C 0.2747(4) 0.7308(4) 0.1351(3) 0.0251(12) Uani 1 1 d . . . . .
C47 C 0.1961(4) 0.7922(4) 0.1151(3) 0.0229(12) Uani 1 1 d . . . . .
C48 C 0.1934(4) 0.8705(4) 0.1282(3) 0.0208(11) Uani 1 1 d . . . . .
C49 C 0.2729(4) 0.8874(3) 0.1593(3) 0.0187(10) Uani 1 1 d . . . . .
C50 C 0.4960(4) 0.9365(4) 0.1612(3) 0.0193(11) Uani 1 1 d . . . . .
C51 C 0.4862(4) 1.0214(4) 0.1644(3) 0.0230(11) Uani 1 1 d . . . . .
C52 C 0.5366(5) 1.0895(4) 0.1137(3) 0.0307(13) Uani 1 1 d . . . . .
C53 C 0.5942(5) 1.0748(4) 0.0567(3) 0.0336(15) Uani 1 1 d . . . . .
C54 C 0.6015(4) 0.9924(4) 0.0503(3) 0.0264(12) Uani 1 1 d . . . . .
C55 C 0.5553(4) 0.9250(4) 0.1021(3) 0.0218(11) Uani 1 1 d . . . . .
C56 C 0.7914(4) 0.7790(3) 0.2974(2) 0.0152(10) Uani 1 1 d . . . . .
C57 C 0.7924(4) 0.8357(3) 0.3443(3) 0.0181(10) Uani 1 1 d . . . . .
C58 C 0.7077(4) 0.8420(4) 0.3949(3) 0.0222(11) Uani 1 1 d . . . . .
C59 C 0.7160(5) 0.8894(4) 0.4376(3) 0.0272(12) Uani 1 1 d . . . . .
C60 C 0.8102(5) 0.9331(4) 0.4305(3) 0.0301(13) Uani 1 1 d . . . . .
C61 C 0.8978(5) 0.9283(4) 0.3815(3) 0.0291(13) Uani 1 1 d . . . . .
C62 C 0.8884(4) 0.8794(4) 0.3398(3) 0.0233(12) Uani 1 1 d . . . . .
C63 C 0.8186(4) 0.8316(3) 0.2238(3) 0.0184(10) Uani 1 1 d . . . . .
C64 C 0.8067(4) 0.9210(4) 0.1997(3) 0.0231(11) Uani 1 1 d . . . . .
C65 C 0.8250(5) 0.9644(4) 0.1328(3) 0.0286(13) Uani 1 1 d . . . . .
C66 C 0.8561(4) 0.9188(4) 0.0879(3) 0.0299(14) Uani 1 1 d . . . . .
C67 C 0.8665(4) 0.8301(4) 0.1092(3) 0.0250(12) Uani 1 1 d . . . . .
C68 C 0.8454(4) 0.7884(4) 0.1758(3) 0.0190(11) Uani 1 1 d . . . . .
C69 C 0.8778(4) 0.7056(3) 0.3202(3) 0.0187(10) Uani 1 1 d . . . . .
C70 C 0.8475(5) 0.6428(4) 0.3803(3) 0.0234(11) Uani 1 1 d . . . . .
C71 C 0.9194(5) 0.5761(4) 0.4058(3) 0.0307(13) Uani 1 1 d . . . . .
C72 C 1.0235(5) 0.5715(4) 0.3726(3) 0.0311(14) Uani 1 1 d . . . . .
C73 C 1.0575(5) 0.6330(4) 0.3142(3) 0.0256(12) Uani 1 1 d . . . . .
C74 C 0.9858(4) 0.6983(3) 0.2892(3) 0.0178(10) Uani 1 1 d . . . . .
F31 F 0.6786(4) 0.8169(4) -0.1101(3) 0.0826(17) Uani 1 1 d . . . . .
C75 C 0.7835(6) 0.8388(4) -0.1372(4) 0.0440(18) Uani 1 1 d . . . . .
C76 C 0.8450(6) 0.8525(4) -0.0964(4) 0.0430(17) Uani 1 1 d . . . . .
H76 H 0.815508 0.846349 -0.051225 0.052 Uiso 1 1 calc R . . . .
C77 C 0.9534(6) 0.8761(5) -0.1230(4) 0.0480(19) Uani 1 1 d . . . . .
H77 H 0.999330 0.887368 -0.095781 0.058 Uiso 1 1 calc R . . . .
C78 C 0.9952(6) 0.8835(5) -0.1872(5) 0.054(2) Uani 1 1 d . . . . .
H78 H 1.070493 0.898166 -0.203975 0.065 Uiso 1 1 calc R . . . .
C79 C 0.9302(8) 0.8700(5) -0.2284(4) 0.058(2) Uani 1 1 d . . . . .
H79 H 0.959527 0.876159 -0.273585 0.070 Uiso 1 1 calc R . . . .
C80 C 0.8198(6) 0.8471(5) -0.2024(4) 0.0451(18) Uani 1 1 d . . . . .
H80 H 0.771996 0.837704 -0.229337 0.054 Uiso 1 1 calc R . . . .
F32 F 0.7218(15) 0.8696(9) 0.6458(6) 0.098(3) Uani 0.77(3) 1 d D U P A 1
C81 C 0.7905(12) 0.8216(10) 0.6131(9) 0.073(2) Uani 0.77(3) 1 d D U P A 1
C82 C 0.7518(10) 0.7526(12) 0.5998(12) 0.070(2) Uani 0.77(3) 1 d D U P A 1
H82 H 0.676745 0.736380 0.615403 0.084 Uiso 0.77(3) 1 calc R . P A 1
C83 C 0.8213(12) 0.7072(10) 0.5639(9) 0.076(3) Uani 0.77(3) 1 d D U P A 1
H83 H 0.793020 0.661990 0.551864 0.091 Uiso 0.77(3) 1 calc R . P A 1
C84 C 0.9321(12) 0.7260(12) 0.5449(10) 0.079(3) Uani 0.77(3) 1 d D U P A 1
H84 H 0.981324 0.690659 0.523357 0.095 Uiso 0.77(3) 1 calc R . P A 1
C85 C 0.9704(11) 0.7961(12) 0.5573(9) 0.081(3) Uani 0.77(3) 1 d D U P A 1
H85 H 1.045917 0.811177 0.542355 0.097 Uiso 0.77(3) 1 calc R . P A 1
C86 C 0.9000(13) 0.8451(10) 0.5915(9) 0.074(3) Uani 0.77(3) 1 d D U P A 1
H86 H 0.926381 0.893919 0.599932 0.089 Uiso 0.77(3) 1 calc R . P A 1
F32A F 0.773(4) 0.893(2) 0.6318(19) 0.086(5) Uani 0.23(3) 1 d D U P A 2
C81A C 0.820(3) 0.833(3) 0.603(3) 0.074(3) Uani 0.23(3) 1 d D U P A 2
C82A C 0.757(3) 0.765(4) 0.604(4) 0.073(3) Uani 0.23(3) 1 d D U P A 2
H82A H 0.680234 0.763674 0.621586 0.087 Uiso 0.23(3) 1 calc R . P A 2
C83A C 0.806(4) 0.700(3) 0.578(3) 0.074(3) Uani 0.23(3) 1 d D U P A 2
H83A H 0.765841 0.649859 0.583272 0.089 Uiso 0.23(3) 1 calc R . P A 2
C84A C 0.914(4) 0.708(4) 0.546(3) 0.077(3) Uani 0.23(3) 1 d D U P A 2
H84A H 0.942466 0.672205 0.518052 0.093 Uiso 0.23(3) 1 calc R . P A 2
C85A C 0.980(3) 0.768(3) 0.554(3) 0.077(3) Uani 0.23(3) 1 d D U P A 2
H85A H 1.057358 0.766782 0.538557 0.092 Uiso 0.23(3) 1 calc R . P A 2
C86A C 0.933(3) 0.829(3) 0.584(3) 0.075(3) Uani 0.23(3) 1 d D U P A 2
H86A H 0.977762 0.869374 0.592109 0.089 Uiso 0.23(3) 1 calc R . P A 2


_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 Cl1 2.7299(12) . ?
Dy1 C1 2.723(7) . ?
Dy1 C2 2.770(7) . ?
Dy1 C3 2.608(6) . ?
Dy1 C4 2.565(6) . ?
Dy1 C5 2.566(6) . ?
Dy1 C18 2.744(6) . ?
Dy1 C19 2.754(6) . ?
Dy1 C20 2.627(6) . ?
Dy1 C21 2.605(6) . ?
Dy1 C22 2.622(7) . ?
Cl1 Al1 2.3161(19) . ?
Al1 O1 1.738(4) . ?
Al1 O2 1.710(4) . ?
Al1 C35 1.949(5) . ?
F1 C39 1.344(6) . ?
F2 C40 1.343(7) . ?
F3 C41 1.333(6) . ?
F4 C42 1.333(7) . ?
F5 C43 1.346(6) . ?
F6 C45 1.343(6) . ?
F7 C46 1.330(6) . ?
F8 C47 1.341(6) . ?
F9 C48 1.335(6) . ?
F10 C49 1.343(6) . ?
F11 C51 1.332(6) . ?
F12 C52 1.332(7) . ?
F13 C53 1.341(7) . ?
F14 C54 1.338(7) . ?
F15 C55 1.351(6) . ?
F16 C58 1.353(6) . ?
F17 C59 1.336(7) . ?
F18 C60 1.334(6) . ?
F19 C61 1.342(6) . ?
F20 C62 1.337(6) . ?
F21 C64 1.339(7) . ?
F22 C65 1.338(7) . ?
F23 C66 1.345(6) . ?
F24 C67 1.337(7) . ?
F25 C68 1.337(6) . ?
F26 C70 1.341(7) . ?
F27 C71 1.335(7) . ?
F28 C72 1.344(6) . ?
F29 C73 1.347(7) . ?
F30 C74 1.349(6) . ?
O1 C37 1.380(6) . ?
O2 C56 1.372(6) . ?
C1 C2 1.446(9) . ?
C1 C5 1.425(9) . ?
C1 C6 1.585(9) . ?
C2 C3 1.430(9) . ?
C2 C10 1.514(9) . ?
C3 H3 0.9500 . ?
C3 C4 1.444(10) . ?
C4 C5 1.382(9) . ?
C4 C14 1.506(8) . ?
C5 H5 0.9500 . ?
C6 C7 1.556(10) . ?
C6 C8 1.502(10) . ?
C6 C9 1.504(9) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.497(9) . ?
C10 C12 1.544(9) . ?
C10 C13 1.533(9) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.508(9) . ?
C14 C16 1.558(9) . ?
C14 C17 1.529(10) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.445(9) . ?
C18 C22 1.427(9) . ?
C18 C23 1.555(8) . ?
C19 C20 1.441(9) . ?
C19 C27 1.541(8) . ?
C20 H20 0.9500 . ?
C20 C21 1.438(9) . ?
C21 C22 1.402(9) . ?
C21 C31 1.520(8) . ?
C22 H22 0.9500 . ?
C23 C24 1.519(9) . ?
C23 C25 1.494(8) . ?
C23 C26 1.585(10) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.518(9) . ?
C27 C29 1.512(8) . ?
C27 C30 1.536(8) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.523(10) . ?
C31 C33 1.480(10) . ?
C31 C34 1.576(10) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 C36 1.535(7) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.557(7) . ?
C37 C44 1.548(6) . ?
C37 C50 1.569(7) . ?
C38 C39 1.380(7) . ?
C38 C43 1.391(7) . ?
C39 C40 1.390(8) . ?
C40 C41 1.362(9) . ?
C41 C42 1.366(9) . ?
C42 C43 1.375(8) . ?
C44 C45 1.376(7) . ?
C44 C49 1.398(7) . ?
C45 C46 1.386(7) . ?
C46 C47 1.369(7) . ?
C47 C48 1.366(8) . ?
C48 C49 1.373(7) . ?
C50 C51 1.383(8) . ?
C50 C55 1.399(8) . ?
C51 C52 1.385(8) . ?
C52 C53 1.371(9) . ?
C53 C54 1.369(9) . ?
C54 C55 1.374(8) . ?
C56 C57 1.552(7) . ?
C56 C63 1.547(7) . ?
C56 C69 1.564(7) . ?
C57 C58 1.381(8) . ?
C57 C62 1.395(7) . ?
C58 C59 1.379(8) . ?
C59 C60 1.362(8) . ?
C60 C61 1.374(9) . ?
C61 C62 1.381(8) . ?
C63 C64 1.386(8) . ?
C63 C68 1.387(7) . ?
C64 C65 1.388(8) . ?
C65 C66 1.362(9) . ?
C66 C67 1.370(9) . ?
C67 C68 1.378(7) . ?
C69 C70 1.394(8) . ?
C69 C74 1.384(7) . ?
C70 C71 1.392(8) . ?
C71 C72 1.354(9) . ?
C72 C73 1.367(9) . ?
C73 C74 1.375(7) . ?
F31 C75 1.341(8) . ?
C75 C76 1.341(10) . ?
C75 C80 1.361(11) . ?
C76 H76 0.9500 . ?
C76 C77 1.384(10) . ?
C77 H77 0.9500 . ?
C77 C78 1.355(12) . ?
C78 H78 0.9500 . ?
C78 C79 1.377(12) . ?
C79 H79 0.9500 . ?
C79 C80 1.402(11) . ?
C80 H80 0.9500 . ?
F32 C81 1.345(12) . ?
C81 C82 1.365(10) . ?
C81 C86 1.384(11) . ?
C82 H82 0.9500 . ?
C82 C83 1.360(11) . ?
C83 H83 0.9500 . ?
C83 C84 1.379(11) . ?
C84 H84 0.9500 . ?
C84 C85 1.368(11) . ?
C85 H85 0.9500 . ?
C85 C86 1.384(11) . ?
C86 H86 0.9500 . ?
F32A C81A 1.342(17) . ?
C81A C82A 1.376(13) . ?
C81A C86A 1.374(13) . ?
C82A H82A 0.9500 . ?
C82A C83A 1.370(13) . ?
C83A H83A 0.9500 . ?
C83A C84A 1.375(14) . ?
C84A H84A 0.9500 . ?
C84A C85A 1.375(13) . ?
C85A H85A 0.9500 . ?
C85A C86A 1.381(13) . ?
C86A H86A 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl1 Dy1 C2 125.94(14) . . ?
Cl1 Dy1 C18 94.20(14) . . ?
Cl1 Dy1 C19 124.58(14) . . ?
C1 Dy1 Cl1 95.51(15) . . ?
C1 Dy1 C2 30.5(2) . . ?
C1 Dy1 C18 169.9(2) . . ?
C1 Dy1 C19 139.6(2) . . ?
C3 Dy1 Cl1 130.63(15) . . ?
C3 Dy1 C1 51.0(2) . . ?
C3 Dy1 C2 30.7(2) . . ?
C3 Dy1 C18 123.0(2) . . ?
C3 Dy1 C19 97.8(2) . . ?
C3 Dy1 C20 100.0(2) . . ?
C3 Dy1 C22 147.9(2) . . ?
C4 Dy1 Cl1 99.75(16) . . ?
C4 Dy1 C1 52.08(19) . . ?
C4 Dy1 C2 52.3(2) . . ?
C4 Dy1 C3 32.4(2) . . ?
C4 Dy1 C5 31.2(2) . . ?
C4 Dy1 C18 128.58(19) . . ?
C4 Dy1 C19 117.1(2) . . ?
C4 Dy1 C20 130.3(2) . . ?
C4 Dy1 C21 161.2(2) . . ?
C4 Dy1 C22 157.9(2) . . ?
C5 Dy1 Cl1 80.79(16) . . ?
C5 Dy1 C1 31.08(19) . . ?
C5 Dy1 C2 51.0(2) . . ?
C5 Dy1 C3 51.4(2) . . ?
C5 Dy1 C18 154.95(19) . . ?
C5 Dy1 C19 147.5(2) . . ?
C5 Dy1 C20 146.5(2) . . ?
C5 Dy1 C21 153.1(2) . . ?
C5 Dy1 C22 160.5(2) . . ?
C18 Dy1 C2 139.9(2) . . ?
C18 Dy1 C19 30.47(19) . . ?
C19 Dy1 C2 109.4(2) . . ?
C20 Dy1 Cl1 129.31(15) . . ?
C20 Dy1 C1 119.6(2) . . ?
C20 Dy1 C2 95.6(2) . . ?
C20 Dy1 C18 51.1(2) . . ?
C20 Dy1 C19 30.96(19) . . ?
C21 Dy1 Cl1 98.93(15) . . ?
C21 Dy1 C1 123.6(2) . . ?
C21 Dy1 C2 113.4(2) . . ?
C21 Dy1 C3 128.9(2) . . ?
C21 Dy1 C18 51.8(2) . . ?
C21 Dy1 C19 51.9(2) . . ?
C21 Dy1 C20 31.9(2) . . ?
C21 Dy1 C22 31.1(2) . . ?
C22 Dy1 Cl1 79.83(15) . . ?
C22 Dy1 C1 149.9(2) . . ?
C22 Dy1 C2 144.1(2) . . ?
C22 Dy1 C18 30.74(19) . . ?
C22 Dy1 C19 50.5(2) . . ?
C22 Dy1 C20 51.1(2) . . ?
Al1 Cl1 Dy1 165.31(7) . . ?
O1 Al1 Cl1 103.11(14) . . ?
O1 Al1 C35 118.0(2) . . ?
O2 Al1 Cl1 103.11(14) . . ?
O2 Al1 O1 112.51(18) . . ?
O2 Al1 C35 110.8(2) . . ?
C35 Al1 Cl1 107.77(17) . . ?
C37 O1 Al1 140.4(3) . . ?
C56 O2 Al1 159.2(3) . . ?
C2 C1 Dy1 76.5(4) . . ?
C2 C1 C6 134.6(6) . . ?
C5 C1 Dy1 68.3(4) . . ?
C5 C1 C2 106.6(6) . . ?
C5 C1 C6 117.6(6) . . ?
C6 C1 Dy1 128.3(4) . . ?
C1 C2 Dy1 73.0(4) . . ?
C1 C2 C10 130.4(6) . . ?
C3 C2 Dy1 68.4(4) . . ?
C3 C2 C1 105.9(6) . . ?
C3 C2 C10 120.9(6) . . ?
C10 C2 Dy1 137.4(4) . . ?
Dy1 C3 H3 114.0 . . ?
C2 C3 Dy1 80.9(4) . . ?
C2 C3 H3 124.9 . . ?
C2 C3 C4 110.2(6) . . ?
C4 C3 Dy1 72.1(4) . . ?
C4 C3 H3 124.9 . . ?
C3 C4 Dy1 75.5(4) . . ?
C3 C4 C14 123.6(6) . . ?
C5 C4 Dy1 74.4(4) . . ?
C5 C4 C3 105.3(6) . . ?
C5 C4 C14 130.8(6) . . ?
C14 C4 Dy1 110.6(4) . . ?
Dy1 C5 H5 112.8 . . ?
C1 C5 Dy1 80.6(4) . . ?
C1 C5 H5 124.0 . . ?
C4 C5 Dy1 74.3(4) . . ?
C4 C5 C1 111.9(6) . . ?
C4 C5 H5 124.0 . . ?
C7 C6 C1 102.0(6) . . ?
C8 C6 C1 112.0(5) . . ?
C8 C6 C7 107.1(6) . . ?
C8 C6 C9 108.7(6) . . ?
C9 C6 C1 119.3(6) . . ?
C9 C6 C7 106.8(6) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C2 C10 C12 113.6(5) . . ?
C2 C10 C13 108.5(5) . . ?
C11 C10 C2 111.0(6) . . ?
C11 C10 C12 113.1(6) . . ?
C11 C10 C13 106.6(5) . . ?
C13 C10 C12 103.5(6) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C4 C14 C15 111.7(6) . . ?
C4 C14 C16 106.8(5) . . ?
C4 C14 C17 108.5(5) . . ?
C15 C14 C16 112.0(5) . . ?
C15 C14 C17 110.0(5) . . ?
C17 C14 C16 107.5(6) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 Dy1 75.1(4) . . ?
C19 C18 C23 135.4(5) . . ?
C22 C18 Dy1 69.9(4) . . ?
C22 C18 C19 106.2(6) . . ?
C22 C18 C23 117.3(6) . . ?
C23 C18 Dy1 127.6(4) . . ?
C18 C19 Dy1 74.4(4) . . ?
C18 C19 C27 130.2(5) . . ?
C20 C19 Dy1 69.7(3) . . ?
C20 C19 C18 107.0(6) . . ?
C20 C19 C27 120.6(6) . . ?
C27 C19 Dy1 133.8(4) . . ?
Dy1 C20 H20 114.2 . . ?
C19 C20 Dy1 79.4(4) . . ?
C19 C20 H20 125.3 . . ?
C21 C20 Dy1 73.2(4) . . ?
C21 C20 C19 109.3(6) . . ?
C21 C20 H20 125.3 . . ?
C20 C21 Dy1 74.9(4) . . ?
C20 C21 C31 124.5(6) . . ?
C22 C21 Dy1 75.1(4) . . ?
C22 C21 C20 105.8(6) . . ?
C22 C21 C31 129.7(6) . . ?
C31 C21 Dy1 115.7(4) . . ?
Dy1 C22 H22 114.4 . . ?
C18 C22 Dy1 79.4(4) . . ?
C18 C22 H22 124.2 . . ?
C21 C22 Dy1 73.8(4) . . ?
C21 C22 C18 111.6(6) . . ?
C21 C22 H22 124.2 . . ?
C18 C23 C26 102.8(5) . . ?
C24 C23 C18 113.5(5) . . ?
C24 C23 C26 107.7(5) . . ?
C25 C23 C18 120.0(5) . . ?
C25 C23 C24 106.4(6) . . ?
C25 C23 C26 105.4(5) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C19 106.5(5) . . ?
C28 C27 C30 106.4(5) . . ?
C29 C27 C19 115.7(5) . . ?
C29 C27 C28 113.7(5) . . ?
C29 C27 C30 106.2(5) . . ?
C30 C27 C19 107.8(5) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C21 C31 C32 107.7(6) . . ?
C21 C31 C34 105.3(5) . . ?
C32 C31 C34 108.2(6) . . ?
C33 C31 C21 114.3(6) . . ?
C33 C31 C32 110.7(5) . . ?
C33 C31 C34 110.4(6) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Al1 C35 H35A 107.6 . . ?
Al1 C35 H35B 107.6 . . ?
H35A C35 H35B 107.0 . . ?
C36 C35 Al1 119.0(4) . . ?
C36 C35 H35A 107.6 . . ?
C36 C35 H35B 107.6 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O1 C37 C38 108.7(4) . . ?
O1 C37 C44 112.8(4) . . ?
O1 C37 C50 107.2(4) . . ?
C38 C37 C50 114.0(4) . . ?
C44 C37 C38 110.8(4) . . ?
C44 C37 C50 103.4(4) . . ?
C39 C38 C37 125.9(5) . . ?
C39 C38 C43 115.3(5) . . ?
C43 C38 C37 118.6(5) . . ?
F1 C39 C38 122.8(5) . . ?
F1 C39 C40 114.8(5) . . ?
C38 C39 C40 122.3(5) . . ?
F2 C40 C39 118.8(5) . . ?
F2 C40 C41 121.2(5) . . ?
C41 C40 C39 120.0(6) . . ?
F3 C41 C40 119.7(6) . . ?
F3 C41 C42 120.8(6) . . ?
C40 C41 C42 119.5(5) . . ?
F4 C42 C41 120.2(5) . . ?
F4 C42 C43 120.1(6) . . ?
C41 C42 C43 119.7(5) . . ?
F5 C43 C38 119.9(5) . . ?
F5 C43 C42 117.1(5) . . ?
C42 C43 C38 123.0(5) . . ?
C45 C44 C37 125.2(4) . . ?
C45 C44 C49 115.3(4) . . ?
C49 C44 C37 119.4(4) . . ?
F6 C45 C44 122.3(4) . . ?
F6 C45 C46 115.3(5) . . ?
C44 C45 C46 122.3(5) . . ?
F7 C46 C45 119.6(5) . . ?
F7 C46 C47 120.5(5) . . ?
C47 C46 C45 119.9(5) . . ?
F8 C47 C46 120.1(5) . . ?
F8 C47 C48 119.8(5) . . ?
C48 C47 C46 120.0(5) . . ?
F9 C48 C47 120.5(5) . . ?
F9 C48 C49 120.5(5) . . ?
C47 C48 C49 119.0(5) . . ?
F10 C49 C44 119.0(4) . . ?
F10 C49 C48 117.6(4) . . ?
C48 C49 C44 123.4(5) . . ?
C51 C50 C37 127.8(5) . . ?
C51 C50 C55 115.5(5) . . ?
C55 C50 C37 116.6(5) . . ?
F11 C51 C50 122.6(5) . . ?
F11 C51 C52 115.5(5) . . ?
C50 C51 C52 122.0(5) . . ?
F12 C52 C51 119.8(6) . . ?
F12 C52 C53 119.8(6) . . ?
C53 C52 C51 120.4(6) . . ?
F13 C53 C52 120.4(6) . . ?
F13 C53 C54 120.1(6) . . ?
C54 C53 C52 119.5(5) . . ?
F14 C54 C53 120.4(5) . . ?
F14 C54 C55 120.1(6) . . ?
C53 C54 C55 119.4(6) . . ?
F15 C55 C50 120.3(5) . . ?
F15 C55 C54 116.5(5) . . ?
C54 C55 C50 123.1(5) . . ?
O2 C56 C57 112.3(4) . . ?
O2 C56 C63 107.2(4) . . ?
O2 C56 C69 108.3(4) . . ?
C57 C56 C69 102.1(4) . . ?
C63 C56 C57 112.5(4) . . ?
C63 C56 C69 114.5(4) . . ?
C58 C57 C56 125.3(5) . . ?
C58 C57 C62 115.3(5) . . ?
C62 C57 C56 119.1(5) . . ?
F16 C58 C57 122.2(5) . . ?
F16 C58 C59 115.1(5) . . ?
C59 C58 C57 122.7(5) . . ?
F17 C59 C58 120.4(5) . . ?
F17 C59 C60 119.6(5) . . ?
C60 C59 C58 120.0(6) . . ?
F18 C60 C59 121.2(6) . . ?
F18 C60 C61 119.0(5) . . ?
C59 C60 C61 119.8(5) . . ?
F19 C61 C60 120.9(5) . . ?
F19 C61 C62 119.8(6) . . ?
C60 C61 C62 119.2(5) . . ?
F20 C62 C57 119.7(5) . . ?
F20 C62 C61 117.5(5) . . ?
C61 C62 C57 122.8(5) . . ?
C64 C63 C56 125.0(5) . . ?
C64 C63 C68 114.8(5) . . ?
C68 C63 C56 119.8(5) . . ?
F21 C64 C63 121.6(5) . . ?
F21 C64 C65 115.7(5) . . ?
C63 C64 C65 122.7(5) . . ?
F22 C65 C64 119.7(6) . . ?
F22 C65 C66 120.4(6) . . ?
C66 C65 C64 120.0(6) . . ?
F23 C66 C65 119.9(6) . . ?
F23 C66 C67 120.5(6) . . ?
C65 C66 C67 119.6(5) . . ?
F24 C67 C66 120.2(5) . . ?
F24 C67 C68 120.4(5) . . ?
C66 C67 C68 119.3(5) . . ?
F25 C68 C63 120.0(5) . . ?
F25 C68 C67 116.4(5) . . ?
C67 C68 C63 123.6(5) . . ?
C70 C69 C56 117.9(5) . . ?
C74 C69 C56 127.2(5) . . ?
C74 C69 C70 114.8(5) . . ?
F26 C70 C69 121.1(5) . . ?
F26 C70 C71 116.5(5) . . ?
C71 C70 C69 122.3(5) . . ?
F27 C71 C70 119.0(6) . . ?
F27 C71 C72 120.9(5) . . ?
C72 C71 C70 120.1(6) . . ?
F28 C72 C71 120.7(6) . . ?
F28 C72 C73 119.9(6) . . ?
C71 C72 C73 119.4(5) . . ?
F29 C73 C72 120.6(5) . . ?
F29 C73 C74 119.4(5) . . ?
C72 C73 C74 120.0(5) . . ?
F30 C74 C69 121.6(4) . . ?
F30 C74 C73 115.2(5) . . ?
C73 C74 C69 123.2(5) . . ?
F31 C75 C76 115.4(8) . . ?
F31 C75 C80 119.7(7) . . ?
C76 C75 C80 124.8(7) . . ?
C75 C76 H76 121.6 . . ?
C75 C76 C77 116.9(8) . . ?
C77 C76 H76 121.6 . . ?
C76 C77 H77 119.4 . . ?
C78 C77 C76 121.1(7) . . ?
C78 C77 H77 119.4 . . ?
C77 C78 H78 119.5 . . ?
C77 C78 C79 121.0(8) . . ?
C79 C78 H78 119.5 . . ?
C78 C79 H79 120.7 . . ?
C78 C79 C80 118.6(8) . . ?
C80 C79 H79 120.7 . . ?
C75 C80 C79 117.5(7) . . ?
C75 C80 H80 121.2 . . ?
C79 C80 H80 121.2 . . ?
F32 C81 C82 120.4(9) . . ?
F32 C81 C86 118.8(9) . . ?
C82 C81 C86 120.7(8) . . ?
C81 C82 H82 120.2 . . ?
C83 C82 C81 119.6(9) . . ?
C83 C82 H82 120.2 . . ?
C82 C83 H83 119.5 . . ?
C82 C83 C84 120.9(9) . . ?
C84 C83 H83 119.5 . . ?
C83 C84 H84 120.4 . . ?
C85 C84 C83 119.2(9) . . ?
C85 C84 H84 120.4 . . ?
C84 C85 H85 119.7 . . ?
C84 C85 C86 120.5(9) . . ?
C86 C85 H85 119.7 . . ?
C81 C86 H86 120.6 . . ?
C85 C86 C81 118.8(8) . . ?
C85 C86 H86 120.6 . . ?
F32A C81A C82A 119.4(13) . . ?
F32A C81A C86A 119.7(14) . . ?
C86A C81A C82A 120.0(12) . . ?
C81A C82A H82A 120.3 . . ?
C83A C82A C81A 119.3(11) . . ?
C83A C82A H82A 120.3 . . ?
C82A C83A H83A 120.1 . . ?
C82A C83A C84A 119.9(12) . . ?
C84A C83A H83A 120.1 . . ?
C83A C84A H84A 120.4 . . ?
C85A C84A C83A 119.2(13) . . ?
C85A C84A H84A 120.4 . . ?
C84A C85A H85A 120.2 . . ?
C84A C85A C86A 119.5(11) . . ?
C86A C85A H85A 120.2 . . ?
C81A C86A C85A 119.4(11) . . ?
C81A C86A H86A 120.3 . . ?
C85A C86A H86A 120.3 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 C1 C2 C3 -60.9(4) . . . . ?
Dy1 C1 C2 C10 138.6(7) . . . . ?
Dy1 C1 C5 C4 68.8(5) . . . . ?
Dy1 C1 C6 C7 154.4(5) . . . . ?
Dy1 C1 C6 C8 40.3(8) . . . . ?
Dy1 C1 C6 C9 -88.3(7) . . . . ?
Dy1 C2 C3 C4 -67.1(5) . . . . ?
Dy1 C2 C10 C11 164.4(5) . . . . ?
Dy1 C2 C10 C12 35.7(9) . . . . ?
Dy1 C2 C10 C13 -78.8(7) . . . . ?
Dy1 C3 C4 C5 -69.0(4) . . . . ?
Dy1 C3 C4 C14 105.3(6) . . . . ?
Dy1 C4 C5 C1 -72.8(5) . . . . ?
Dy1 C4 C14 C15 124.4(5) . . . . ?
Dy1 C4 C14 C16 1.5(6) . . . . ?
Dy1 C4 C14 C17 -114.2(5) . . . . ?
Dy1 C18 C19 C20 -62.4(4) . . . . ?
Dy1 C18 C19 C27 134.9(6) . . . . ?
Dy1 C18 C22 C21 67.7(5) . . . . ?
Dy1 C18 C23 C24 40.3(7) . . . . ?
Dy1 C18 C23 C25 -87.1(7) . . . . ?
Dy1 C18 C23 C26 156.4(4) . . . . ?
Dy1 C19 C20 C21 -67.8(5) . . . . ?
Dy1 C19 C27 C28 166.4(4) . . . . ?
Dy1 C19 C27 C29 39.0(8) . . . . ?
Dy1 C19 C27 C30 -79.7(6) . . . . ?
Dy1 C20 C21 C22 -69.3(4) . . . . ?
Dy1 C20 C21 C31 111.0(6) . . . . ?
Dy1 C21 C22 C18 -71.2(5) . . . . ?
Dy1 C21 C31 C32 -128.1(5) . . . . ?
Dy1 C21 C31 C33 108.4(6) . . . . ?
Dy1 C21 C31 C34 -12.8(7) . . . . ?
Cl1 Al1 O1 C37 141.3(5) . . . . ?
Cl1 Al1 O2 C56 79.1(10) . . . . ?
Al1 O1 C37 C38 16.1(7) . . . . ?
Al1 O1 C37 C44 -107.1(5) . . . . ?
Al1 O1 C37 C50 139.7(4) . . . . ?
Al1 O2 C56 C57 126.0(9) . . . . ?
Al1 O2 C56 C63 2.0(12) . . . . ?
Al1 O2 C56 C69 -122.1(9) . . . . ?
F1 C39 C40 F2 0.5(8) . . . . ?
F1 C39 C40 C41 180.0(5) . . . . ?
F2 C40 C41 F3 -1.9(9) . . . . ?
F2 C40 C41 C42 177.2(5) . . . . ?
F3 C41 C42 F4 -0.6(9) . . . . ?
F3 C41 C42 C43 178.6(5) . . . . ?
F4 C42 C43 F5 1.1(8) . . . . ?
F4 C42 C43 C38 -176.9(5) . . . . ?
F6 C45 C46 F7 0.1(8) . . . . ?
F6 C45 C46 C47 179.3(5) . . . . ?
F7 C46 C47 F8 1.3(9) . . . . ?
F7 C46 C47 C48 178.2(5) . . . . ?
F8 C47 C48 F9 -0.8(8) . . . . ?
F8 C47 C48 C49 179.3(5) . . . . ?
F9 C48 C49 F10 1.9(8) . . . . ?
F9 C48 C49 C44 178.4(5) . . . . ?
F11 C51 C52 F12 5.5(8) . . . . ?
F11 C51 C52 C53 -175.6(5) . . . . ?
F12 C52 C53 F13 -1.9(9) . . . . ?
F12 C52 C53 C54 179.1(5) . . . . ?
F13 C53 C54 F14 -0.8(8) . . . . ?
F13 C53 C54 C55 178.1(5) . . . . ?
F14 C54 C55 F15 -1.1(7) . . . . ?
F14 C54 C55 C50 -178.2(5) . . . . ?
F16 C58 C59 F17 0.2(8) . . . . ?
F16 C58 C59 C60 -179.2(5) . . . . ?
F17 C59 C60 F18 -0.8(9) . . . . ?
F17 C59 C60 C61 179.3(5) . . . . ?
F18 C60 C61 F19 -0.8(9) . . . . ?
F18 C60 C61 C62 -179.5(5) . . . . ?
F19 C61 C62 F20 -0.1(8) . . . . ?
F19 C61 C62 C57 -177.4(5) . . . . ?
F21 C64 C65 F22 0.4(7) . . . . ?
F21 C64 C65 C66 -179.2(5) . . . . ?
F22 C65 C66 F23 2.4(8) . . . . ?
F22 C65 C66 C67 -177.9(5) . . . . ?
F23 C66 C67 F24 -1.1(8) . . . . ?
F23 C66 C67 C68 179.5(5) . . . . ?
F24 C67 C68 F25 -0.4(7) . . . . ?
F24 C67 C68 C63 177.7(5) . . . . ?
F26 C70 C71 F27 2.8(8) . . . . ?
F26 C70 C71 C72 -176.2(5) . . . . ?
F27 C71 C72 F28 2.1(9) . . . . ?
F27 C71 C72 C73 -178.7(5) . . . . ?
F28 C72 C73 F29 0.2(9) . . . . ?
F28 C72 C73 C74 178.6(5) . . . . ?
F29 C73 C74 F30 -1.0(7) . . . . ?
F29 C73 C74 C69 177.9(5) . . . . ?
O1 Al1 O2 C56 -31.3(10) . . . . ?
O1 C37 C38 C39 -109.2(5) . . . . ?
O1 C37 C38 C43 64.5(6) . . . . ?
O1 C37 C44 C45 6.4(7) . . . . ?
O1 C37 C44 C49 -173.2(4) . . . . ?
O1 C37 C50 C51 -129.7(5) . . . . ?
O1 C37 C50 C55 54.4(5) . . . . ?
O2 Al1 O1 C37 -108.3(5) . . . . ?
O2 C56 C57 C58 6.3(7) . . . . ?
O2 C56 C57 C62 -179.1(5) . . . . ?
O2 C56 C63 C64 101.8(5) . . . . ?
O2 C56 C63 C68 -70.5(6) . . . . ?
O2 C56 C69 C70 -45.7(6) . . . . ?
O2 C56 C69 C74 138.8(5) . . . . ?
C1 C2 C3 Dy1 63.9(5) . . . . ?
C1 C2 C3 C4 -3.2(7) . . . . ?
C1 C2 C10 C11 53.5(9) . . . . ?
C1 C2 C10 C12 -75.2(9) . . . . ?
C1 C2 C10 C13 170.3(7) . . . . ?
C2 C1 C5 Dy1 -67.6(5) . . . . ?
C2 C1 C5 C4 1.2(8) . . . . ?
C2 C1 C6 C7 -94.3(9) . . . . ?
C2 C1 C6 C8 151.5(7) . . . . ?
C2 C1 C6 C9 22.9(12) . . . . ?
C2 C3 C4 Dy1 72.8(5) . . . . ?
C2 C3 C4 C5 3.8(7) . . . . ?
C2 C3 C4 C14 178.1(6) . . . . ?
C3 C2 C10 C11 -104.6(7) . . . . ?
C3 C2 C10 C12 126.7(7) . . . . ?
C3 C2 C10 C13 12.2(8) . . . . ?
C3 C4 C5 Dy1 69.7(4) . . . . ?
C3 C4 C5 C1 -3.0(8) . . . . ?
C3 C4 C14 C15 38.5(8) . . . . ?
C3 C4 C14 C16 -84.4(7) . . . . ?
C3 C4 C14 C17 160.0(6) . . . . ?
C5 C1 C2 Dy1 62.1(4) . . . . ?
C5 C1 C2 C3 1.3(7) . . . . ?
C5 C1 C2 C10 -159.3(6) . . . . ?
C5 C1 C6 C7 71.3(7) . . . . ?
C5 C1 C6 C8 -42.9(8) . . . . ?
C5 C1 C6 C9 -171.5(7) . . . . ?
C5 C4 C14 C15 -148.8(7) . . . . ?
C5 C4 C14 C16 88.3(8) . . . . ?
C5 C4 C14 C17 -27.3(9) . . . . ?
C6 C1 C2 Dy1 -131.2(8) . . . . ?
C6 C1 C2 C3 168.0(7) . . . . ?
C6 C1 C2 C10 7.4(12) . . . . ?
C6 C1 C5 Dy1 123.0(5) . . . . ?
C6 C1 C5 C4 -168.2(6) . . . . ?
C10 C2 C3 Dy1 -133.3(5) . . . . ?
C10 C2 C3 C4 159.6(6) . . . . ?
C14 C4 C5 Dy1 -104.0(7) . . . . ?
C14 C4 C5 C1 -176.7(6) . . . . ?
C18 C19 C20 Dy1 65.6(4) . . . . ?
C18 C19 C20 C21 -2.2(7) . . . . ?
C18 C19 C27 C28 57.6(8) . . . . ?
C18 C19 C27 C29 -69.8(9) . . . . ?
C18 C19 C27 C30 171.5(6) . . . . ?
C19 C18 C22 Dy1 -67.0(4) . . . . ?
C19 C18 C22 C21 0.7(7) . . . . ?
C19 C18 C23 C24 149.1(7) . . . . ?
C19 C18 C23 C25 21.7(11) . . . . ?
C19 C18 C23 C26 -94.8(8) . . . . ?
C19 C20 C21 Dy1 71.9(5) . . . . ?
C19 C20 C21 C22 2.6(7) . . . . ?
C19 C20 C21 C31 -177.0(6) . . . . ?
C20 C19 C27 C28 -103.1(7) . . . . ?
C20 C19 C27 C29 129.5(6) . . . . ?
C20 C19 C27 C30 10.8(8) . . . . ?
C20 C21 C22 Dy1 69.2(4) . . . . ?
C20 C21 C22 C18 -2.0(8) . . . . ?
C20 C21 C31 C32 143.0(7) . . . . ?
C20 C21 C31 C33 19.6(9) . . . . ?
C20 C21 C31 C34 -101.7(8) . . . . ?
C22 C18 C19 Dy1 63.4(4) . . . . ?
C22 C18 C19 C20 1.0(7) . . . . ?
C22 C18 C19 C27 -161.7(6) . . . . ?
C22 C18 C23 C24 -44.5(8) . . . . ?
C22 C18 C23 C25 -171.9(6) . . . . ?
C22 C18 C23 C26 71.6(7) . . . . ?
C22 C21 C31 C32 -36.5(9) . . . . ?
C22 C21 C31 C33 -160.0(7) . . . . ?
C22 C21 C31 C34 78.8(9) . . . . ?
C23 C18 C19 Dy1 -129.1(8) . . . . ?
C23 C18 C19 C20 168.5(7) . . . . ?
C23 C18 C19 C27 5.8(12) . . . . ?
C23 C18 C22 Dy1 122.9(5) . . . . ?
C23 C18 C22 C21 -169.5(6) . . . . ?
C27 C19 C20 Dy1 -129.7(5) . . . . ?
C27 C19 C20 C21 162.5(5) . . . . ?
C31 C21 C22 Dy1 -111.2(7) . . . . ?
C31 C21 C22 C18 177.6(6) . . . . ?
C35 Al1 O1 C37 22.7(6) . . . . ?
C35 Al1 O2 C56 -165.9(10) . . . . ?
C37 C38 C39 F1 -2.8(8) . . . . ?
C37 C38 C39 C40 175.1(5) . . . . ?
C37 C38 C43 F5 3.5(7) . . . . ?
C37 C38 C43 C42 -178.5(5) . . . . ?
C37 C44 C45 F6 1.7(8) . . . . ?
C37 C44 C45 C46 -177.6(5) . . . . ?
C37 C44 C49 F10 -4.4(7) . . . . ?
C37 C44 C49 C48 179.1(5) . . . . ?
C37 C50 C51 F11 -0.5(8) . . . . ?
C37 C50 C51 C52 -179.0(5) . . . . ?
C37 C50 C55 F15 -0.5(7) . . . . ?
C37 C50 C55 C54 176.5(5) . . . . ?
C38 C37 C44 C45 -115.7(6) . . . . ?
C38 C37 C44 C49 64.8(6) . . . . ?
C38 C37 C50 C51 -9.5(7) . . . . ?
C38 C37 C50 C55 174.6(4) . . . . ?
C38 C39 C40 F2 -177.5(5) . . . . ?
C38 C39 C40 C41 1.9(9) . . . . ?
C39 C38 C43 F5 178.0(5) . . . . ?
C39 C38 C43 C42 -4.1(8) . . . . ?
C39 C40 C41 F3 178.6(5) . . . . ?
C39 C40 C41 C42 -2.2(9) . . . . ?
C40 C41 C42 F4 -179.8(5) . . . . ?
C40 C41 C42 C43 -0.5(9) . . . . ?
C41 C42 C43 F5 -178.1(5) . . . . ?
C41 C42 C43 C38 3.9(9) . . . . ?
C43 C38 C39 F1 -176.7(5) . . . . ?
C43 C38 C39 C40 1.2(8) . . . . ?
C44 C37 C38 C39 15.2(7) . . . . ?
C44 C37 C38 C43 -171.0(5) . . . . ?
C44 C37 C50 C51 110.9(5) . . . . ?
C44 C37 C50 C55 -65.0(5) . . . . ?
C44 C45 C46 F7 179.5(5) . . . . ?
C44 C45 C46 C47 -1.3(9) . . . . ?
C45 C44 C49 F10 176.0(5) . . . . ?
C45 C44 C49 C48 -0.5(8) . . . . ?
C45 C46 C47 F8 -177.9(5) . . . . ?
C45 C46 C47 C48 -1.0(9) . . . . ?
C46 C47 C48 F9 -177.7(5) . . . . ?
C46 C47 C48 C49 2.4(8) . . . . ?
C47 C48 C49 F10 -178.2(5) . . . . ?
C47 C48 C49 C44 -1.7(8) . . . . ?
C49 C44 C45 F6 -178.7(5) . . . . ?
C49 C44 C45 C46 1.9(8) . . . . ?
C50 C37 C38 C39 131.3(5) . . . . ?
C50 C37 C38 C43 -54.9(6) . . . . ?
C50 C37 C44 C45 121.8(5) . . . . ?
C50 C37 C44 C49 -57.7(6) . . . . ?
C50 C51 C52 F12 -176.0(5) . . . . ?
C50 C51 C52 C53 3.0(9) . . . . ?
C51 C50 C55 F15 -176.9(4) . . . . ?
C51 C50 C55 C54 0.1(7) . . . . ?
C51 C52 C53 F13 179.1(5) . . . . ?
C51 C52 C53 C54 0.2(9) . . . . ?
C52 C53 C54 F14 178.2(5) . . . . ?
C52 C53 C54 C55 -3.0(8) . . . . ?
C53 C54 C55 F15 -180.0(5) . . . . ?
C53 C54 C55 C50 2.9(8) . . . . ?
C55 C50 C51 F11 175.4(5) . . . . ?
C55 C50 C51 C52 -3.0(7) . . . . ?
C56 C57 C58 F16 -4.4(8) . . . . ?
C56 C57 C58 C59 175.9(5) . . . . ?
C56 C57 C62 F20 5.6(8) . . . . ?
C56 C57 C62 C61 -177.2(5) . . . . ?
C56 C63 C64 F21 3.6(8) . . . . ?
C56 C63 C64 C65 -175.4(5) . . . . ?
C56 C63 C68 F25 -4.7(7) . . . . ?
C56 C63 C68 C67 177.3(4) . . . . ?
C56 C69 C70 F26 -1.0(7) . . . . ?
C56 C69 C70 C71 -178.3(5) . . . . ?
C56 C69 C74 F30 -3.6(8) . . . . ?
C56 C69 C74 C73 177.5(5) . . . . ?
C57 C56 C63 C64 -22.1(6) . . . . ?
C57 C56 C63 C68 165.6(4) . . . . ?
C57 C56 C69 C70 73.0(5) . . . . ?
C57 C56 C69 C74 -102.5(6) . . . . ?
C57 C58 C59 F17 179.9(5) . . . . ?
C57 C58 C59 C60 0.5(9) . . . . ?
C58 C57 C62 F20 -179.3(5) . . . . ?
C58 C57 C62 C61 -2.1(8) . . . . ?
C58 C59 C60 F18 178.6(5) . . . . ?
C58 C59 C60 C61 -1.3(9) . . . . ?
C59 C60 C61 F19 179.1(5) . . . . ?
C59 C60 C61 C62 0.4(9) . . . . ?
C60 C61 C62 F20 178.7(5) . . . . ?
C60 C61 C62 C57 1.4(9) . . . . ?
C62 C57 C58 F16 -179.2(5) . . . . ?
C62 C57 C58 C59 1.2(8) . . . . ?
C63 C56 C57 C58 127.3(5) . . . . ?
C63 C56 C57 C62 -58.1(6) . . . . ?
C63 C56 C69 C70 -165.2(4) . . . . ?
C63 C56 C69 C74 19.3(7) . . . . ?
C63 C64 C65 F22 179.5(5) . . . . ?
C63 C64 C65 C66 -0.1(8) . . . . ?
C64 C63 C68 F25 -177.8(4) . . . . ?
C64 C63 C68 C67 4.2(7) . . . . ?
C64 C65 C66 F23 -178.1(5) . . . . ?
C64 C65 C66 C67 1.6(8) . . . . ?
C65 C66 C67 F24 179.2(5) . . . . ?
C65 C66 C67 C68 -0.2(8) . . . . ?
C66 C67 C68 F25 179.0(4) . . . . ?
C66 C67 C68 C63 -2.9(8) . . . . ?
C68 C63 C64 F21 176.3(4) . . . . ?
C68 C63 C64 C65 -2.7(7) . . . . ?
C69 C56 C57 C58 -109.5(6) . . . . ?
C69 C56 C57 C62 65.1(6) . . . . ?
C69 C56 C63 C64 -138.0(5) . . . . ?
C69 C56 C63 C68 49.7(6) . . . . ?
C69 C70 C71 F27 -179.7(5) . . . . ?
C69 C70 C71 C72 1.3(9) . . . . ?
C70 C69 C74 F30 -179.2(4) . . . . ?
C70 C69 C74 C73 1.9(8) . . . . ?
C70 C71 C72 F28 -179.0(5) . . . . ?
C70 C71 C72 C73 0.2(9) . . . . ?
C71 C72 C73 F29 -179.0(5) . . . . ?
C71 C72 C73 C74 -0.6(9) . . . . ?
C72 C73 C74 F30 -179.5(5) . . . . ?
C72 C73 C74 C69 -0.6(8) . . . . ?
C74 C69 C70 F26 175.1(5) . . . . ?
C74 C69 C70 C71 -2.3(8) . . . . ?
F31 C75 C76 C77 -179.3(6) . . . . ?
F31 C75 C80 C79 180.0(7) . . . . ?
C75 C76 C77 C78 -1.0(11) . . . . ?
C76 C75 C80 C79 1.4(11) . . . . ?
C76 C77 C78 C79 1.8(12) . . . . ?
C77 C78 C79 C80 -1.0(12) . . . . ?
C78 C79 C80 C75 -0.5(11) . . . . ?
C80 C75 C76 C77 -0.6(11) . . . . ?
F32 C81 C82 C83 177(2) . . . . ?
F32 C81 C86 C85 -179.5(16) . . . . ?
C81 C82 C83 C84 5(3) . . . . ?
C82 C81 C86 C85 -1(3) . . . . ?
C82 C83 C84 C85 -6(3) . . . . ?
C83 C84 C85 C86 3(3) . . . . ?
C84 C85 C86 C81 0(2) . . . . ?
C86 C81 C82 C83 -1(3) . . . . ?
F32A C81A C82A C83A -176(7) . . . . ?
F32A C81A C86A C85A -179(5) . . . . ?
C81A C82A C83A C84A -8(10) . . . . ?
C82A C81A C86A C85A 13(9) . . . . ?
C82A C83A C84A C85A 17(9) . . . . ?
C83A C84A C85A C86A -12(9) . . . . ?
C84A C85A C86A C81A -3(8) . . . . ?
C86A C81A C82A C83A -7(10) . . . . ?

_olex2_exptl_crystal_mounting_method 'Mounted in fomblin.'
_olex2_submission_original_sample_id adpm658
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.401
_oxdiff_exptl_absorpt_empirical_full_min 0.436
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
_exptl_crystal_preparation       'Magnetic properties'
