# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_exp_1973
_database_code_depnum_ccdc_archive 'CCDC 1993006'
loop_
_audit_author_name
_audit_author_address
'Mian HE'
;University of Sussex
United Kingdom
;
_audit_update_record             
;
2020-03-26 deposited with the CCDC.	2020-05-18 downloaded from the CCDC.
;
_audit_creation_date             2020-01-10
_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        ?
_chemical_formula_moiety         'C34 H72 B4 Dy2 O2'
_chemical_formula_sum            'C34 H72 B4 Dy2 O2'
_chemical_formula_weight         881.15
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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'
B B 0.0090 0.0039 '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'
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.0067(5)
_cell_length_b                   14.2962(7)
_cell_length_c                   16.3689(8)
_cell_angle_alpha                99.987(4)
_cell_angle_beta                 105.704(4)
_cell_angle_gamma                107.788(4)
_cell_volume                     2061.03(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5651
_cell_measurement_temperature    220
_cell_measurement_theta_max      71.0180
_cell_measurement_theta_min      4.7850
_shelx_estimated_absorpt_T_max   0.113
_shelx_estimated_absorpt_T_min   0.068
_exptl_absorpt_coefficient_mu    19.338
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.50230
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.420
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             888
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0314
_diffrn_reflns_av_unetI/netI     0.0487
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.970
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13654
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.970
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.386
_diffrn_reflns_theta_min         3.381
_diffrn_ambient_temperature      220
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1033
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -95.00 -17.00   1.00    8.21    --  -36.75 -77.00 -90.00   78
  2  ω    -24.00  30.00   1.00    8.21    --  -36.75  77.00  30.00   54
  3  ω     68.00 101.00   1.00    8.21    --   36.75  77.00 120.00   33
  4  ω    -24.00  75.00   1.00    8.21    --   36.75 -99.00 120.00   99
  5  ω      9.00  40.00   1.00    8.21    --   36.75 -19.00 120.00   31
  6  ω    -21.00  76.00   1.00    8.21    --   36.75 -99.00   0.00   97
  7  ω     18.00  98.00   1.00    8.21    --   36.75  77.00-150.00   80
  8  ω     39.00 118.00   1.00   20.85    --  107.00 -45.00 -60.00   79
  9  ω     37.00 126.00   1.00   20.85    --  107.00 -30.00  90.00   89
 10  ω     39.00  82.00   1.00   20.85    --  107.00 -45.00  60.00   43
 11  ω     95.00 159.00   1.00   20.85    --  107.00  61.00 150.00   64
 12  ω     64.00 119.00   1.00   20.85    --  107.00 -91.00 158.06   55
 13  ω     39.00 120.00   1.00   20.85    --  107.00 -89.00-143.34   81
 14  ω     36.00  79.00   1.00   20.85    --  107.00 -15.00-120.00   43
 15  ω    118.00 175.00   1.00   20.85    --  107.00  77.00-150.00   57
 16  ω     71.00 115.00   1.00   20.85    --  107.00 -90.00  42.18   44
 17  ω     52.00  84.00   1.00   20.85    --  107.00-111.00-180.00   32
 18  ω    116.00 145.00   1.00   20.85    --  107.00 -15.00-120.00   29
 19  ω     39.00 115.00   1.00   20.85    --  107.00 -45.00-150.00   76
 20  ω     86.00 176.00   1.00   20.85    --  107.00  30.00 -90.00   90
 21  ω     65.00 108.00   1.00   20.85    --  107.00 -91.00  82.63   43
 22  ω     72.00 129.00   1.00   20.85    --  107.00 -91.00 -61.17   57
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0505645000
_diffrn_orient_matrix_UB_12      -0.0849561000
_diffrn_orient_matrix_UB_13      -0.0864175000
_diffrn_orient_matrix_UB_21      0.1415532000
_diffrn_orient_matrix_UB_22      0.0574827000
_diffrn_orient_matrix_UB_23      -0.0182247000
_diffrn_orient_matrix_UB_31      0.0841516000
_diffrn_orient_matrix_UB_32      -0.0580518000
_diffrn_orient_matrix_UB_33      0.0506653000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance Ultra (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6524
_reflns_number_total             7793
_reflns_odcompleteness_completeness 99.84
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.518
_refine_diff_density_min         -0.753
_refine_diff_density_rms         0.080
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     455
_refine_ls_number_reflns         7793
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0444
_refine_ls_R_factor_gt           0.0346
_refine_ls_restrained_S_all      1.038
_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)+(0.0324P)²+0.7966P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0806
_refine_ls_wR_factor_ref         0.0865
_refine_special_details          ?
_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.a Secondary CH2 refined with riding coordinates:
 C27(H27a,H27b), C28(H28a,H28b), C29(H29a,H29b), C30(H30a,H30b), C31(H31a,
 H31b), C32(H32a,H32b), C33(H33a,H33b), C34(H34a,H34b)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C8(H8), C10(H10)
2.c Idealised Me refined as rotating group:
 C12(H12a,H12b,H12c), C13(H13a,H13b,H13c), C14(H14a,H14b,H14c), C16(H16a,H16b,
 H16c), C17(H17a,H17b,H17c), C18(H18a,H18b,H18c), C20(H20a,H20b,H20c), C21(H21a,
 H21b,H21c), C22(H22a,H22b,H22c), C24(H24a,H24b,H24c), C25(H25a,H25b,H25c),
 C26(H26a,H26b,H26c)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.25178(3) 0.84578(2) 0.62047(2) 0.04022(8) Uani 1 1 d . . . . .
B1 B 0.2256(8) 0.9003(6) 0.4813(5) 0.0640(17) Uani 1 1 d . . . . .
H1A H 0.268(6) 0.836(4) 0.489(3) 0.047(13) Uiso 1 1 d . . . . .
H1B H 0.109(6) 0.869(4) 0.483(4) 0.061(16) Uiso 1 1 d . . . . .
B2 B 0.0297(7) 0.6871(5) 0.5860(4) 0.0573(15) Uani 1 1 d . . . . .
H2A H 0.001(5) 0.751(4) 0.567(3) 0.045(13) Uiso 1 1 d . . . . .
H2B H 0.093(5) 0.728(3) 0.663(3) 0.041(12) Uiso 1 1 d . . . . .
Dy2 Dy 0.28200(3) 0.64855(2) 0.87710(2) 0.03544(7) Uani 1 1 d . . . . .
B3 B 0.2261(7) 0.8063(5) 0.9133(4) 0.0501(13) Uani 1 1 d . . . . .
H3A H 0.348(5) 0.808(3) 0.942(3) 0.037(12) Uiso 1 1 d . . . . .
H3B H 0.196(4) 0.772(3) 0.837(3) 0.027(10) Uiso 1 1 d . . . . .
B4 B 0.3272(8) 0.5880(6) 1.0125(4) 0.0589(16) Uani 1 1 d . . . . .
H4A H 0.433(6) 0.656(4) 1.012(3) 0.050(14) Uiso 1 1 d . . . . .
H4B H 0.247(7) 0.624(4) 1.008(4) 0.065(17) Uiso 1 1 d . . . . .
O1 O 0.1402(4) 0.9486(3) 0.6804(2) 0.0498(8) Uani 1 1 d . . . . .
O2 O 0.0292(3) 0.5459(3) 0.8192(2) 0.0483(8) Uani 1 1 d . . . . .
C1 C 0.4517(4) 0.7938(3) 0.7317(3) 0.0325(8) Uani 1 1 d . . . . .
C2 C 0.5035(4) 0.8082(3) 0.6591(3) 0.0337(8) Uani 1 1 d . . . . .
C3 C 0.5417(5) 0.9125(3) 0.6634(3) 0.0369(9) Uani 1 1 d . . . . .
H3 H 0.577862 0.943085 0.623293 0.044 Uiso 1 1 calc R . . . .
C4 C 0.5182(5) 0.9649(3) 0.7362(3) 0.0357(8) Uani 1 1 d . . . . .
C5 C 0.4593(4) 0.8911(3) 0.7763(3) 0.0341(8) Uani 1 1 d . . . . .
H5 H 0.429244 0.903907 0.825384 0.041 Uiso 1 1 calc R . . . .
C6 C 0.4290(4) 0.7024(3) 0.7665(3) 0.0322(8) Uani 1 1 d . . . . .
C7 C 0.5333(4) 0.6899(3) 0.8393(3) 0.0324(8) Uani 1 1 d . . . . .
C8 C 0.4787(4) 0.5838(3) 0.8344(3) 0.0341(8) Uani 1 1 d . . . . .
H8 H 0.525508 0.553654 0.874140 0.041 Uiso 1 1 calc R . . . .
C9 C 0.3452(5) 0.5302(3) 0.7618(3) 0.0371(9) Uani 1 1 d . . . . .
C10 C 0.3135(4) 0.6056(3) 0.7219(3) 0.0348(8) Uani 1 1 d . . . . .
H10 H 0.228330 0.592788 0.673102 0.042 Uiso 1 1 calc R . . . .
C11 C 0.5274(6) 0.7308(4) 0.5912(3) 0.0448(10) Uani 1 1 d . . . . .
C12 C 0.3810(7) 0.6451(4) 0.5287(4) 0.0666(15) Uani 1 1 d . . . . .
H12A H 0.330170 0.608553 0.562964 0.100 Uiso 1 1 calc GR . . . .
H12B H 0.402837 0.598186 0.488728 0.100 Uiso 1 1 calc GR . . . .
H12C H 0.317370 0.674468 0.494833 0.100 Uiso 1 1 calc GR . . . .
C13 C 0.6030(8) 0.7854(5) 0.5338(4) 0.0730(18) Uani 1 1 d . . . . .
H13A H 0.541525 0.818491 0.503533 0.109 Uiso 1 1 calc GR . . . .
H13B H 0.615199 0.735978 0.490600 0.109 Uiso 1 1 calc GR . . . .
H13C H 0.700272 0.836497 0.570897 0.109 Uiso 1 1 calc GR . . . .
C14 C 0.6289(7) 0.6808(5) 0.6386(4) 0.0659(15) Uani 1 1 d . . . . .
H14A H 0.724653 0.733285 0.676248 0.099 Uiso 1 1 calc GR . . . .
H14B H 0.644090 0.633444 0.595179 0.099 Uiso 1 1 calc GR . . . .
H14C H 0.582268 0.644108 0.674362 0.099 Uiso 1 1 calc GR . . . .
C15 C 0.5698(5) 1.0813(3) 0.7725(3) 0.0422(10) Uani 1 1 d . . . . .
C16 C 0.5351(8) 1.1322(4) 0.6979(4) 0.0701(17) Uani 1 1 d . . . . .
H16A H 0.585565 1.117761 0.657218 0.105 Uiso 1 1 calc GR . . . .
H16B H 0.569684 1.205564 0.723102 0.105 Uiso 1 1 calc GR . . . .
H16C H 0.428019 1.105286 0.666576 0.105 Uiso 1 1 calc GR . . . .
C17 C 0.4940(6) 1.1092(4) 0.8376(4) 0.0571(13) Uani 1 1 d . . . . .
H17A H 0.387233 1.086150 0.806773 0.086 Uiso 1 1 calc GR . . . .
H17B H 0.534550 1.182760 0.863069 0.086 Uiso 1 1 calc GR . . . .
H17C H 0.512348 1.076206 0.884290 0.086 Uiso 1 1 calc GR . . . .
C18 C 0.7385(6) 1.1227(4) 0.8210(4) 0.0693(17) Uani 1 1 d . . . . .
H18A H 0.760976 1.087562 0.865573 0.104 Uiso 1 1 calc GR . . . .
H18B H 0.773315 1.195410 0.849207 0.104 Uiso 1 1 calc GR . . . .
H18C H 0.788393 1.111284 0.779192 0.104 Uiso 1 1 calc GR . . . .
C19 C 0.6832(5) 0.7672(3) 0.9076(3) 0.0399(9) Uani 1 1 d . . . . .
C20 C 0.6633(6) 0.8502(4) 0.9704(3) 0.0578(13) Uani 1 1 d . . . . .
H20A H 0.614803 0.887491 0.936638 0.087 Uiso 1 1 calc GR . . . .
H20B H 0.760440 0.896931 1.011863 0.087 Uiso 1 1 calc GR . . . .
H20C H 0.602151 0.818733 1.002479 0.087 Uiso 1 1 calc GR . . . .
C21 C 0.7658(6) 0.7134(4) 0.9649(4) 0.0626(14) Uani 1 1 d . . . . .
H21A H 0.705724 0.682058 0.997598 0.094 Uiso 1 1 calc GR . . . .
H21B H 0.861148 0.763195 1.006053 0.094 Uiso 1 1 calc GR . . . .
H21C H 0.782617 0.661119 0.927235 0.094 Uiso 1 1 calc GR . . . .
C22 C 0.7843(6) 0.8206(5) 0.8609(4) 0.0647(15) Uani 1 1 d . . . . .
H22A H 0.813834 0.771448 0.828778 0.097 Uiso 1 1 calc GR . . . .
H22B H 0.872737 0.875019 0.904434 0.097 Uiso 1 1 calc GR . . . .
H22C H 0.730608 0.849274 0.819967 0.097 Uiso 1 1 calc GR . . . .
C23 C 0.2666(6) 0.4149(3) 0.7242(3) 0.0483(11) Uani 1 1 d . . . . .
C24 C 0.2747(12) 0.3614(5) 0.7969(5) 0.145(5) Uani 1 1 d . . . . .
H24A H 0.376219 0.364955 0.822772 0.217 Uiso 1 1 calc GR . . . .
H24B H 0.207584 0.290271 0.772230 0.217 Uiso 1 1 calc GR . . . .
H24C H 0.245556 0.394664 0.842222 0.217 Uiso 1 1 calc GR . . . .
C25 C 0.1030(6) 0.3838(4) 0.6686(4) 0.0726(18) Uani 1 1 d . . . . .
H25A H 0.051933 0.409553 0.704320 0.109 Uiso 1 1 calc GR . . . .
H25B H 0.056683 0.309763 0.647439 0.109 Uiso 1 1 calc GR . . . .
H25C H 0.096144 0.412172 0.618620 0.109 Uiso 1 1 calc GR . . . .
C26 C 0.3448(9) 0.3793(5) 0.6653(6) 0.126(4) Uani 1 1 d . . . . .
H26A H 0.340100 0.413333 0.618808 0.188 Uiso 1 1 calc GR . . . .
H26B H 0.295892 0.305869 0.639163 0.188 Uiso 1 1 calc GR . . . .
H26C H 0.448500 0.395748 0.700024 0.188 Uiso 1 1 calc GR . . . .
C27 C 0.0836(7) 1.0220(5) 0.6471(4) 0.0708(17) Uani 1 1 d . . . . .
H27A H -0.004816 0.987373 0.593446 0.085 Uiso 1 1 calc R . . . .
H27B H 0.160183 1.072289 0.633735 0.085 Uiso 1 1 calc R . . . .
C28 C 0.0453(11) 1.0714(6) 0.7192(5) 0.102(3) Uani 1 1 d . . . . .
H28A H 0.129490 1.134225 0.756804 0.122 Uiso 1 1 calc R . . . .
H28B H -0.041478 1.089264 0.695048 0.122 Uiso 1 1 calc R . . . .
C29 C 0.0125(11) 1.0025(7) 0.7687(5) 0.106(3) Uani 1 1 d . . . . .
H29A H -0.095902 0.966502 0.750422 0.128 Uiso 1 1 calc R . . . .
H29B H 0.050720 1.038850 0.831705 0.128 Uiso 1 1 calc R . . . .
C30 C 0.0858(8) 0.9284(5) 0.7521(5) 0.0743(19) Uani 1 1 d . . . . .
H30A H 0.168968 0.938529 0.805243 0.089 Uiso 1 1 calc R . . . .
H30B H 0.014023 0.857916 0.735042 0.089 Uiso 1 1 calc R . . . .
C31 C -0.0752(6) 0.5629(5) 0.7481(5) 0.0727(18) Uani 1 1 d . . . . .
H31A H -0.054068 0.547609 0.693247 0.087 Uiso 1 1 calc R . . . .
H31B H -0.066760 0.634349 0.762694 0.087 Uiso 1 1 calc R . . . .
C32 C -0.2283(7) 0.4933(6) 0.7371(5) 0.088(2) Uani 1 1 d . . . . .
H32A H -0.279779 0.531018 0.764086 0.106 Uiso 1 1 calc R . . . .
H32B H -0.288240 0.460544 0.674430 0.106 Uiso 1 1 calc R . . . .
C33 C -0.2026(7) 0.4168(5) 0.7831(5) 0.084(2) Uani 1 1 d . . . . .
H33A H -0.196237 0.359789 0.743392 0.101 Uiso 1 1 calc R . . . .
H33B H -0.282821 0.389864 0.806149 0.101 Uiso 1 1 calc R . . . .
C34 C -0.0578(6) 0.4752(5) 0.8560(4) 0.0680(16) Uani 1 1 d . . . . .
H34A H -0.072774 0.512294 0.906898 0.082 Uiso 1 1 calc R . . . .
H34B H -0.007830 0.429437 0.874764 0.082 Uiso 1 1 calc R . . . .
H1C H 0.302(6) 0.960(4) 0.535(4) 0.058(16) Uiso 1 1 d . . . . .
H1D H 0.231(8) 0.931(6) 0.426(5) 0.11(3) Uiso 1 1 d . . . . .
H2C H 0.126(6) 0.681(4) 0.553(4) 0.064(16) Uiso 1 1 d . . . . .
H2D H -0.058(7) 0.622(5) 0.572(4) 0.074(18) Uiso 1 1 d . . . . .
H3C H 0.154(6) 0.744(4) 0.934(4) 0.064(16) Uiso 1 1 d . . . . .
H3D H 0.206(6) 0.872(4) 0.921(3) 0.063(16) Uiso 1 1 d . . . . .
H4C H 0.289(6) 0.526(4) 0.952(4) 0.065(17) Uiso 1 1 d . . . . .
H4D H 0.352(7) 0.560(5) 1.073(4) 0.08(2) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 B1 2.506(6) . ?
Dy1 B2 2.490(6) . ?
Dy1 O1 2.338(3) . ?
Dy1 C1 2.698(4) . ?
Dy1 C2 2.668(4) . ?
Dy1 C3 2.607(4) . ?
Dy1 C4 2.640(4) . ?
Dy1 C5 2.641(4) . ?
Dy2 B3 2.498(6) . ?
Dy2 B4 2.496(6) . ?
Dy2 O2 2.324(3) . ?
Dy2 C6 2.696(4) . ?
Dy2 C7 2.668(4) . ?
Dy2 C8 2.619(4) . ?
Dy2 C9 2.648(4) . ?
Dy2 C10 2.635(4) . ?
O1 C27 1.454(6) . ?
O1 C30 1.457(6) . ?
O2 C31 1.449(6) . ?
O2 C34 1.449(6) . ?
C1 C2 1.441(5) . ?
C1 C5 1.423(5) . ?
C1 C6 1.493(5) . ?
C2 C3 1.406(6) . ?
C2 C11 1.548(5) . ?
C3 C4 1.409(6) . ?
C4 C5 1.400(6) . ?
C4 C15 1.535(6) . ?
C6 C7 1.435(5) . ?
C6 C10 1.414(6) . ?
C7 C8 1.426(6) . ?
C7 C19 1.540(6) . ?
C8 C9 1.408(6) . ?
C9 C10 1.424(6) . ?
C9 C23 1.520(6) . ?
C11 C12 1.533(7) . ?
C11 C13 1.530(7) . ?
C11 C14 1.535(7) . ?
C15 C16 1.539(7) . ?
C15 C17 1.532(6) . ?
C15 C18 1.527(7) . ?
C19 C20 1.527(6) . ?
C19 C21 1.542(6) . ?
C19 C22 1.530(6) . ?
C23 C24 1.521(8) . ?
C23 C25 1.521(7) . ?
C23 C26 1.511(8) . ?
C27 C28 1.471(9) . ?
C28 C29 1.399(9) . ?
C29 C30 1.489(8) . ?
C31 C32 1.492(8) . ?
C32 C33 1.478(10) . ?
C33 C34 1.483(9) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
B1 Dy1 C1 137.24(19) . . ?
B1 Dy1 C2 106.17(19) . . ?
B1 Dy1 C3 90.96(19) . . ?
B1 Dy1 C4 107.5(2) . . ?
B1 Dy1 C5 138.00(19) . . ?
B2 Dy1 B1 106.6(2) . . ?
B2 Dy1 C1 97.38(17) . . ?
B2 Dy1 C2 111.12(19) . . ?
B2 Dy1 C3 142.01(19) . . ?
B2 Dy1 C4 145.14(17) . . ?
B2 Dy1 C5 114.51(17) . . ?
O1 Dy1 B1 95.7(2) . . ?
O1 Dy1 B2 92.3(2) . . ?
O1 Dy1 C1 118.49(11) . . ?
O1 Dy1 C2 140.96(12) . . ?
O1 Dy1 C3 119.76(13) . . ?
O1 Dy1 C4 91.31(13) . . ?
O1 Dy1 C5 91.08(12) . . ?
C2 Dy1 C1 31.16(11) . . ?
C3 Dy1 C1 50.96(12) . . ?
C3 Dy1 C2 30.90(13) . . ?
C3 Dy1 C4 31.15(12) . . ?
C3 Dy1 C5 50.74(12) . . ?
C4 Dy1 C1 51.32(12) . . ?
C4 Dy1 C2 51.66(12) . . ?
C4 Dy1 C5 30.74(12) . . ?
C5 Dy1 C1 30.90(12) . . ?
C5 Dy1 C2 51.24(11) . . ?
B3 Dy2 C6 97.86(16) . . ?
B3 Dy2 C7 111.00(17) . . ?
B3 Dy2 C8 142.25(17) . . ?
B3 Dy2 C9 146.04(17) . . ?
B3 Dy2 C10 114.86(16) . . ?
B4 Dy2 B3 107.4(2) . . ?
B4 Dy2 C6 137.49(18) . . ?
B4 Dy2 C7 106.70(18) . . ?
B4 Dy2 C8 90.47(18) . . ?
B4 Dy2 C9 105.91(19) . . ?
B4 Dy2 C10 137.03(18) . . ?
O2 Dy2 B3 91.80(17) . . ?
O2 Dy2 B4 93.8(2) . . ?
O2 Dy2 C6 119.39(12) . . ?
O2 Dy2 C7 142.14(12) . . ?
O2 Dy2 C8 120.55(12) . . ?
O2 Dy2 C9 92.23(13) . . ?
O2 Dy2 C10 92.11(12) . . ?
C7 Dy2 C6 31.02(12) . . ?
C8 Dy2 C6 50.94(12) . . ?
C8 Dy2 C7 31.27(12) . . ?
C8 Dy2 C9 30.99(13) . . ?
C8 Dy2 C10 50.84(12) . . ?
C9 Dy2 C6 51.57(12) . . ?
C9 Dy2 C7 52.03(12) . . ?
C10 Dy2 C6 30.75(12) . . ?
C10 Dy2 C7 51.32(12) . . ?
C10 Dy2 C9 31.28(12) . . ?
C27 O1 Dy1 130.2(3) . . ?
C27 O1 C30 107.9(4) . . ?
C30 O1 Dy1 120.5(3) . . ?
C31 O2 Dy2 122.1(3) . . ?
C31 O2 C34 107.4(4) . . ?
C34 O2 Dy2 129.0(3) . . ?
C2 C1 Dy1 73.3(2) . . ?
C2 C1 C6 126.6(3) . . ?
C5 C1 Dy1 72.4(2) . . ?
C5 C1 C2 106.5(3) . . ?
C5 C1 C6 125.4(3) . . ?
C6 C1 Dy1 130.0(3) . . ?
C1 C2 Dy1 75.6(2) . . ?
C1 C2 C11 129.7(4) . . ?
C3 C2 Dy1 72.2(2) . . ?
C3 C2 C1 106.6(3) . . ?
C3 C2 C11 123.6(4) . . ?
C11 C2 Dy1 120.9(3) . . ?
C2 C3 Dy1 76.9(2) . . ?
C2 C3 C4 110.5(4) . . ?
C4 C3 Dy1 75.7(2) . . ?
C3 C4 Dy1 73.1(2) . . ?
C3 C4 C15 126.4(4) . . ?
C5 C4 Dy1 74.7(2) . . ?
C5 C4 C3 106.4(4) . . ?
C5 C4 C15 126.7(4) . . ?
C15 C4 Dy1 124.5(3) . . ?
C1 C5 Dy1 76.7(2) . . ?
C4 C5 Dy1 74.6(2) . . ?
C4 C5 C1 110.0(3) . . ?
C1 C6 Dy2 129.4(2) . . ?
C7 C6 Dy2 73.4(2) . . ?
C7 C6 C1 126.7(4) . . ?
C10 C6 Dy2 72.2(2) . . ?
C10 C6 C1 124.7(4) . . ?
C10 C6 C7 107.4(4) . . ?
C6 C7 Dy2 75.5(2) . . ?
C6 C7 C19 130.5(4) . . ?
C8 C7 Dy2 72.4(2) . . ?
C8 C7 C6 106.1(3) . . ?
C8 C7 C19 123.2(4) . . ?
C19 C7 Dy2 120.8(3) . . ?
C7 C8 Dy2 76.3(2) . . ?
C9 C8 Dy2 75.7(2) . . ?
C9 C8 C7 110.8(4) . . ?
C8 C9 Dy2 73.3(2) . . ?
C8 C9 C10 105.6(4) . . ?
C8 C9 C23 127.1(4) . . ?
C10 C9 Dy2 73.8(2) . . ?
C10 C9 C23 126.5(4) . . ?
C23 C9 Dy2 125.7(3) . . ?
C6 C10 Dy2 77.0(2) . . ?
C6 C10 C9 110.0(4) . . ?
C9 C10 Dy2 74.9(2) . . ?
C12 C11 C2 113.1(4) . . ?
C12 C11 C14 107.8(5) . . ?
C13 C11 C2 110.2(4) . . ?
C13 C11 C12 107.3(4) . . ?
C13 C11 C14 107.8(5) . . ?
C14 C11 C2 110.5(4) . . ?
C4 C15 C16 111.7(4) . . ?
C17 C15 C4 111.2(4) . . ?
C17 C15 C16 108.2(4) . . ?
C18 C15 C4 107.4(4) . . ?
C18 C15 C16 109.4(5) . . ?
C18 C15 C17 108.8(4) . . ?
C7 C19 C21 110.9(4) . . ?
C20 C19 C7 112.6(4) . . ?
C20 C19 C21 107.1(4) . . ?
C20 C19 C22 107.5(4) . . ?
C22 C19 C7 110.3(4) . . ?
C22 C19 C21 108.1(4) . . ?
C9 C23 C24 111.5(4) . . ?
C9 C23 C25 112.3(4) . . ?
C24 C23 C25 108.4(6) . . ?
C26 C23 C9 107.4(4) . . ?
C26 C23 C24 109.1(7) . . ?
C26 C23 C25 108.1(5) . . ?
O1 C27 C28 104.5(5) . . ?
C29 C28 C27 107.9(6) . . ?
C28 C29 C30 107.2(6) . . ?
O1 C30 C29 105.9(5) . . ?
O2 C31 C32 107.2(5) . . ?
C33 C32 C31 104.3(6) . . ?
C32 C33 C34 103.6(5) . . ?
O2 C34 C33 104.9(5) . . ?

_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 1.820
_oxdiff_exptl_absorpt_empirical_full_min 0.730
####################################################################### 
# 
# 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_exp_1946
_database_code_depnum_ccdc_archive 'CCDC 1993008'
loop_
_audit_author_name
_audit_author_address
'Mian HE'
;University of Sussex
United Kingdom
;
_audit_update_record             
;
2020-03-26 deposited with the CCDC.	2020-05-18 downloaded from the CCDC.
;
_audit_creation_date             2020-01-10
_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        ?
_chemical_formula_moiety         'C46 H78 B2 Dy2'
_chemical_formula_sum            'C46 H78 B2 Dy2'
_chemical_formula_weight         977.70
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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'
B B 0.0090 0.0039 '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'

_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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.31990(10)
_cell_length_b                   18.14390(10)
_cell_length_c                   19.6411(2)
_cell_angle_alpha                90
_cell_angle_beta                 107.3660(10)
_cell_angle_gamma                90
_cell_volume                     4530.39(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    15001
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      71.1040
_cell_measurement_theta_min      4.2400
_shelx_estimated_absorpt_T_max   0.272
_shelx_estimated_absorpt_T_min   0.177
_exptl_absorpt_coefficient_mu    17.629
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.46892
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'light yellow'
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.433
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1984
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0402
_diffrn_reflns_av_unetI/netI     0.0357
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            31291
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.204
_diffrn_reflns_theta_min         3.390
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1033
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -105.00 -78.00   1.00    8.97    --  -36.75-178.00  60.00   27
  2  ω    -84.00 -53.00   1.00    8.97    --  -36.75 178.00-150.00   31
  3  ω    -11.00  29.00   1.00    8.97    --  -36.75  57.00 -90.00   40
  4  ω   -106.00 -22.00   1.00    8.97    --  -36.75 -19.00  90.00   84
  5  ω    -21.00  76.00   1.00    8.97    --   36.75 -99.00-120.00   97
  6  ω     10.00 103.00   1.00    8.97    --   36.75  77.00   0.00   93
  7  ω    -22.00  74.00   1.00    8.97    --   36.75 -99.00  90.00   96
  8  ω     41.00 124.00   1.00   40.88    --  107.00 -45.00  90.00   83
  9  ω     46.00 121.00   1.00   40.88    --  107.00 -45.00-150.00   75
 10  ω     64.00 176.00   1.00   40.88    --  107.00   0.00-180.00  112
 11  ω     99.00 125.00   1.00   40.88    --  107.00  45.00-180.00   26
 12  ω    141.00 172.00   1.00   40.88    --  107.00  45.00-180.00   31
 13  ω     80.00 174.00   1.00   40.88    --  107.00  77.00-120.00   94
 14  ω     39.00 136.00   1.00   40.88    --  107.00 -91.00 -22.82   97
 15  ω    115.00 141.00   1.00   40.88    --  107.00  61.00 -90.00   26
 16  ω     84.00 110.00   1.00   40.88    --  107.00 -91.00 161.42   26
 17  ω     57.00 105.00   1.00   40.88    --  107.00 -91.00  68.60   48
 18  ω     73.00 100.00   1.00   40.88    --  107.00 -91.00-131.84   27
 19  ω     40.00 121.00   1.00   40.88    --  107.00 -45.00 -60.00   81
 20  ω     88.00 175.00   1.00   40.88    --  107.00  77.00-150.00   87
 21  ω     60.00 113.00   1.00   40.88    --  107.00 -91.00-109.01   53
 22  ω     49.00 142.00   1.00   40.88    --  107.00 -91.00 120.59   93
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1007623000
_diffrn_orient_matrix_UB_12      0.0265627000
_diffrn_orient_matrix_UB_13      -0.0564832000
_diffrn_orient_matrix_UB_21      0.0043363000
_diffrn_orient_matrix_UB_22      -0.0674632000
_diffrn_orient_matrix_UB_23      -0.0466839000
_diffrn_orient_matrix_UB_31      -0.0672384000
_diffrn_orient_matrix_UB_32      -0.0441371000
_diffrn_orient_matrix_UB_33      0.0372649000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance Ultra (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7906
_reflns_number_total             8690
_reflns_odcompleteness_completeness 99.95
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.762
_refine_diff_density_min         -0.773
_refine_diff_density_rms         0.090
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         8690
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0306
_refine_ls_R_factor_gt           0.0266
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0378P)²+0.3733P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0635
_refine_ls_wR_factor_ref         0.0655
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C5(H5), C3(H3), C7(H7), C9(H9)
2.b Idealised Me refined as rotating group:
 C26(H26a,H26b,H26c), C25(H25a,H25b,H25c), C35(H35a,H35b,H35c), C14(H14a,H14b,
 H14c), C24(H24a,H24b,H24c), C13(H13a,H13b,H13c), C12(H12a,H12b,H12c), C36(H36a,
 H36b,H36c), C18(H18a,H18b,H18c), C32(H32a,H32b,H32c), C21(H21a,H21b,H21c),
 C17(H17a,H17b,H17c), C22(H22a,H22b,H22c), C45(H45a,H45b,H45c), C33(H33a,H33b,
 H33c), C42(H42a,H42b,H42c), C20(H20a,H20b,H20c), C43(H43a,H43b,H43c), C34(H34a,
 H34b,H34c), C46(H46a,H46b,H46c), C16(H16a,H16b,H16c), C44(H44a,H44b,H44c)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy2 Dy 0.77179(2) 0.72477(2) 0.26526(2) 0.01238(5) Uani 1 1 d . . . . .
Dy1 Dy 0.52868(2) 0.68514(2) 0.35210(2) 0.01159(5) Uani 1 1 d . . . . .
C1 C 0.4875(2) 0.73399(13) 0.21926(13) 0.0120(5) Uani 1 1 d . . . . .
C6 C 0.5728(2) 0.72807(13) 0.18497(14) 0.0132(5) Uani 1 1 d . . . . .
C5 C 0.4753(2) 0.79508(13) 0.26120(14) 0.0137(5) Uani 1 1 d . . . . .
H5 H 0.520587 0.835258 0.272325 0.016 Uiso 1 1 calc R . . . .
C30 C 0.4378(2) 0.58803(14) 0.41520(14) 0.0174(5) Uani 1 1 d . . . . .
C2 C 0.4025(2) 0.68332(13) 0.21684(14) 0.0136(5) Uani 1 1 d . . . . .
C29 C 0.4301(2) 0.65696(14) 0.44869(14) 0.0176(5) Uani 1 1 d . . . . .
C3 C 0.3428(2) 0.71658(14) 0.25825(14) 0.0143(5) Uani 1 1 d . . . . .
H3 H 0.284523 0.695320 0.267237 0.017 Uiso 1 1 calc R . . . .
C26 C 0.6557(2) 0.91339(13) 0.20995(15) 0.0181(5) Uani 1 1 d . . . . .
H26A H 0.627148 0.899386 0.247516 0.027 Uiso 1 1 calc GR . . . .
H26B H 0.642203 0.964724 0.199254 0.027 Uiso 1 1 calc GR . . . .
H26C H 0.730251 0.904824 0.224890 0.027 Uiso 1 1 calc GR . . . .
C28 C 0.5325(2) 0.67926(14) 0.48743(15) 0.0184(5) Uani 1 1 d . . . . .
C10 C 0.6249(2) 0.78380(13) 0.15452(13) 0.0130(5) Uani 1 1 d . . . . .
C23 C 0.6037(2) 0.86721(13) 0.14285(13) 0.0136(5) Uani 1 1 d . . . . .
C7 C 0.6133(2) 0.65919(13) 0.17168(13) 0.0131(5) Uani 1 1 d . . . . .
H7 H 0.594016 0.613961 0.186213 0.016 Uiso 1 1 calc R . . . .
C31 C 0.5451(2) 0.56742(14) 0.43605(14) 0.0162(5) Uani 1 1 d . . . . .
C4 C 0.3849(2) 0.78638(14) 0.28363(14) 0.0144(5) Uani 1 1 d . . . . .
C40 C 0.9435(2) 0.79430(16) 0.26188(15) 0.0205(6) Uani 1 1 d . . . . .
C25 C 0.4848(2) 0.88217(14) 0.11661(14) 0.0169(5) Uani 1 1 d . . . . .
H25A H 0.453247 0.865897 0.151997 0.025 Uiso 1 1 calc GR . . . .
H25B H 0.454147 0.855909 0.072901 0.025 Uiso 1 1 calc GR . . . .
H25C H 0.472778 0.934043 0.108539 0.025 Uiso 1 1 calc GR . . . .
C27 C 0.6037(2) 0.62409(14) 0.47939(14) 0.0160(5) Uani 1 1 d . . . . .
C8 C 0.6867(2) 0.66835(14) 0.13351(14) 0.0145(5) Uani 1 1 d . . . . .
C9 C 0.6947(2) 0.74534(14) 0.12456(14) 0.0142(5) Uani 1 1 d . . . . .
H9 H 0.739279 0.767643 0.102230 0.017 Uiso 1 1 calc R . . . .
C41 C 0.9322(2) 0.81110(15) 0.32960(16) 0.0200(6) Uani 1 1 d . . . . .
C35 C 0.3460(3) 0.54022(17) 0.37768(16) 0.0263(6) Uani 1 1 d . . . . .
H35A H 0.293390 0.569600 0.344839 0.039 Uiso 1 1 calc GR . . . .
H35B H 0.316795 0.518501 0.412130 0.039 Uiso 1 1 calc GR . . . .
H35C H 0.369126 0.501978 0.352080 0.039 Uiso 1 1 calc GR . . . .
C14 C 0.2433(2) 0.60459(15) 0.16145(15) 0.0184(5) Uani 1 1 d . . . . .
H14A H 0.236380 0.590748 0.207017 0.028 Uiso 1 1 calc GR . . . .
H14B H 0.215371 0.566166 0.127464 0.028 Uiso 1 1 calc GR . . . .
H14C H 0.205086 0.649412 0.145696 0.028 Uiso 1 1 calc GR . . . .
C24 C 0.6503(2) 0.89540(14) 0.08472(14) 0.0176(5) Uani 1 1 d . . . . .
H24A H 0.630567 0.945960 0.074096 0.026 Uiso 1 1 calc GR . . . .
H24B H 0.623858 0.866184 0.042394 0.026 Uiso 1 1 calc GR . . . .
H24C H 0.725622 0.891625 0.101461 0.026 Uiso 1 1 calc GR . . . .
C11 C 0.3604(2) 0.61657(13) 0.16813(14) 0.0145(5) Uani 1 1 d . . . . .
C13 C 0.4155(2) 0.54318(14) 0.19647(16) 0.0190(5) Uani 1 1 d . . . . .
H13A H 0.488400 0.546216 0.198769 0.028 Uiso 1 1 calc GR . . . .
H13B H 0.382650 0.503831 0.165015 0.028 Uiso 1 1 calc GR . . . .
H13C H 0.409792 0.533809 0.243276 0.028 Uiso 1 1 calc GR . . . .
C37 C 0.9495(2) 0.74548(15) 0.37039(15) 0.0193(5) Uani 1 1 d . . . . .
C38 C 0.9715(2) 0.68813(15) 0.32788(17) 0.0203(6) Uani 1 1 d . . . . .
C12 C 0.3659(2) 0.63229(16) 0.09227(14) 0.0200(5) Uani 1 1 d . . . . .
H12A H 0.328951 0.677181 0.074910 0.030 Uiso 1 1 calc GR . . . .
H12B H 0.334064 0.592321 0.061305 0.030 Uiso 1 1 calc GR . . . .
H12C H 0.438099 0.637172 0.093301 0.030 Uiso 1 1 calc GR . . . .
C36 C 0.5838(3) 0.49307(14) 0.42153(17) 0.0242(6) Uani 1 1 d . . . . .
H36A H 0.559296 0.483156 0.371249 0.036 Uiso 1 1 calc GR . . . .
H36B H 0.557496 0.455991 0.446644 0.036 Uiso 1 1 calc GR . . . .
H36C H 0.659277 0.492535 0.437396 0.036 Uiso 1 1 calc GR . . . .
C15 C 0.3336(2) 0.84862(14) 0.31381(15) 0.0196(5) Uani 1 1 d . . . . .
C18 C 0.4042(2) 0.87519(16) 0.38610(16) 0.0250(6) Uani 1 1 d . . . . .
H18A H 0.412386 0.836437 0.420612 0.037 Uiso 1 1 calc GR . . . .
H18B H 0.372820 0.917331 0.401181 0.037 Uiso 1 1 calc GR . . . .
H18C H 0.471914 0.888476 0.381915 0.037 Uiso 1 1 calc GR . . . .
C39 C 0.9685(2) 0.71861(16) 0.26086(16) 0.0199(6) Uani 1 1 d . . . . .
C32 C 0.7196(2) 0.62585(18) 0.51875(16) 0.0259(6) Uani 1 1 d . . . . .
H32A H 0.753967 0.585602 0.503106 0.039 Uiso 1 1 calc GR . . . .
H32B H 0.729629 0.621475 0.569062 0.039 Uiso 1 1 calc GR . . . .
H32C H 0.748982 0.671592 0.509180 0.039 Uiso 1 1 calc GR . . . .
C21 C 0.7900(2) 0.55004(15) 0.15172(16) 0.0222(6) Uani 1 1 d . . . . .
H21A H 0.849862 0.574720 0.183044 0.033 Uiso 1 1 calc GR . . . .
H21B H 0.813496 0.510636 0.127599 0.033 Uiso 1 1 calc GR . . . .
H21C H 0.747249 0.530355 0.178999 0.033 Uiso 1 1 calc GR . . . .
C17 C 0.2260(3) 0.82600(17) 0.31938(19) 0.0286(7) Uani 1 1 d . . . . .
H17A H 0.180368 0.814083 0.272785 0.043 Uiso 1 1 calc GR . . . .
H17B H 0.196340 0.865973 0.338994 0.043 Uiso 1 1 calc GR . . . .
H17C H 0.233610 0.783690 0.349855 0.043 Uiso 1 1 calc GR . . . .
C19 C 0.7254(2) 0.60490(14) 0.09672(14) 0.0173(5) Uani 1 1 d . . . . .
C22 C 0.6287(3) 0.56442(17) 0.04928(16) 0.0269(6) Uani 1 1 d . . . . .
H22A H 0.589249 0.543919 0.078415 0.040 Uiso 1 1 calc GR . . . .
H22B H 0.650996 0.525536 0.023944 0.040 Uiso 1 1 calc GR . . . .
H22C H 0.585310 0.598451 0.015759 0.040 Uiso 1 1 calc GR . . . .
C45 C 0.9445(3) 0.8500(2) 0.2047(2) 0.0351(8) Uani 1 1 d . . . . .
H45A H 0.925755 0.826120 0.159065 0.053 Uiso 1 1 calc GR . . . .
H45B H 1.013596 0.870904 0.214615 0.053 Uiso 1 1 calc GR . . . .
H45C H 0.894727 0.888458 0.204273 0.053 Uiso 1 1 calc GR . . . .
C33 C 0.5628(3) 0.74406(17) 0.53746(16) 0.0285(7) Uani 1 1 d . . . . .
H33A H 0.617680 0.771518 0.526635 0.043 Uiso 1 1 calc GR . . . .
H33B H 0.587224 0.726647 0.585768 0.043 Uiso 1 1 calc GR . . . .
H33C H 0.502614 0.775263 0.531836 0.043 Uiso 1 1 calc GR . . . .
C42 C 0.9616(3) 0.7386(2) 0.44862(17) 0.0332(7) Uani 1 1 d . . . . .
H42A H 0.930504 0.780585 0.464121 0.050 Uiso 1 1 calc GR . . . .
H42B H 1.035006 0.736139 0.474794 0.050 Uiso 1 1 calc GR . . . .
H42C H 0.927130 0.694501 0.456945 0.050 Uiso 1 1 calc GR . . . .
C20 C 0.7892(3) 0.63345(17) 0.04903(18) 0.0299(7) Uani 1 1 d . . . . .
H20A H 0.744532 0.662336 0.010974 0.045 Uiso 1 1 calc GR . . . .
H20B H 0.816881 0.592488 0.029427 0.045 Uiso 1 1 calc GR . . . .
H20C H 0.846121 0.663445 0.076770 0.045 Uiso 1 1 calc GR . . . .
B1 B 0.7123(3) 0.60821(17) 0.33677(17) 0.0187(6) Uani 1 1 d . . . . .
C43 C 1.0058(3) 0.61129(17) 0.3535(2) 0.0339(8) Uani 1 1 d . . . . .
H43A H 0.966560 0.594751 0.384486 0.051 Uiso 1 1 calc GR . . . .
H43B H 1.079440 0.611429 0.379136 0.051 Uiso 1 1 calc GR . . . .
H43C H 0.993107 0.578727 0.313334 0.051 Uiso 1 1 calc GR . . . .
C34 C 0.3275(3) 0.68746(17) 0.4546(2) 0.0320(7) Uani 1 1 d . . . . .
H34A H 0.335631 0.738990 0.466019 0.048 Uiso 1 1 calc GR . . . .
H34B H 0.308131 0.661768 0.491517 0.048 Uiso 1 1 calc GR . . . .
H34C H 0.273546 0.681023 0.409997 0.048 Uiso 1 1 calc GR . . . .
C46 C 0.9192(2) 0.88666(16) 0.35730(19) 0.0291(7) Uani 1 1 d . . . . .
H46A H 0.886252 0.918579 0.317999 0.044 Uiso 1 1 calc GR . . . .
H46B H 0.986931 0.906102 0.383002 0.044 Uiso 1 1 calc GR . . . .
H46C H 0.876056 0.883531 0.388590 0.044 Uiso 1 1 calc GR . . . .
C16 C 0.3167(3) 0.91271(17) 0.26032(18) 0.0336(8) Uani 1 1 d . . . . .
H16A H 0.383651 0.931426 0.259375 0.050 Uiso 1 1 calc GR . . . .
H16B H 0.277775 0.951237 0.274543 0.050 Uiso 1 1 calc GR . . . .
H16C H 0.278032 0.895458 0.213641 0.050 Uiso 1 1 calc GR . . . .
C44 C 1.0127(3) 0.6831(2) 0.2063(2) 0.0402(9) Uani 1 1 d . . . . .
H44A H 1.004391 0.630589 0.207480 0.060 Uiso 1 1 calc GR . . . .
H44B H 1.086006 0.694924 0.217067 0.060 Uiso 1 1 calc GR . . . .
H44C H 0.975640 0.701202 0.159598 0.060 Uiso 1 1 calc GR . . . .
B2 B 0.6899(3) 0.8085(2) 0.38954(19) 0.0260(7) Uani 1 1 d . . . . .
H1A H 0.753(2) 0.6100(17) 0.2951(17) 0.011(7) Uiso 1 1 d . . . . .
H1B H 0.717(3) 0.6704(19) 0.358(2) 0.023(9) Uiso 1 1 d . . . . .
H1C H 0.627(3) 0.593(2) 0.316(2) 0.031(10) Uiso 1 1 d . . . . .
H2A H 0.619(3) 0.779(2) 0.401(2) 0.026(9) Uiso 1 1 d . . . . .
H1D H 0.754(3) 0.573(2) 0.380(2) 0.038(11) Uiso 1 1 d . . . . .
H2B H 0.688(3) 0.790(2) 0.331(2) 0.031(10) Uiso 1 1 d . . . . .
H2C H 0.757(3) 0.792(2) 0.425(2) 0.035(11) Uiso 1 1 d . . . . .
H2D H 0.669(4) 0.869(3) 0.390(3) 0.074(17) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy2 C6 2.649(3) . ?
Dy2 C10 2.677(3) . ?
Dy2 C7 2.633(3) . ?
Dy2 C40 2.630(3) . ?
Dy2 C8 2.698(3) . ?
Dy2 C9 2.671(3) . ?
Dy2 C41 2.647(3) . ?
Dy2 C37 2.663(3) . ?
Dy2 C38 2.660(3) . ?
Dy2 C39 2.650(3) . ?
Dy2 B1 2.782(3) . ?
Dy1 C1 2.653(2) . ?
Dy1 C5 2.630(2) . ?
Dy1 C30 2.646(2) . ?
Dy1 C2 2.687(3) . ?
Dy1 C29 2.659(2) . ?
Dy1 C3 2.670(3) . ?
Dy1 C28 2.645(3) . ?
Dy1 C31 2.667(2) . ?
Dy1 C4 2.704(3) . ?
Dy1 C27 2.643(3) . ?
Dy1 B1 2.909(3) . ?
Dy1 B2 3.037(4) . ?
C1 C6 1.488(3) . ?
C1 C5 1.419(3) . ?
C1 C2 1.448(4) . ?
C6 C10 1.452(3) . ?
C6 C7 1.416(3) . ?
C5 C4 1.408(4) . ?
C30 C29 1.431(4) . ?
C30 C31 1.414(4) . ?
C30 C35 1.501(4) . ?
C2 C3 1.429(3) . ?
C2 C11 1.542(3) . ?
C29 C28 1.409(4) . ?
C29 C34 1.510(4) . ?
C3 C4 1.414(4) . ?
C26 C23 1.541(4) . ?
C28 C27 1.420(4) . ?
C28 C33 1.508(4) . ?
C10 C23 1.544(3) . ?
C10 C9 1.422(4) . ?
C23 C25 1.536(4) . ?
C23 C24 1.541(3) . ?
C7 C8 1.408(3) . ?
C31 C27 1.412(4) . ?
C31 C36 1.502(4) . ?
C4 C15 1.529(3) . ?
C40 C41 1.416(4) . ?
C40 C39 1.415(4) . ?
C40 C45 1.514(4) . ?
C27 C32 1.506(4) . ?
C8 C9 1.416(3) . ?
C8 C19 1.529(3) . ?
C41 C37 1.415(4) . ?
C41 C46 1.504(4) . ?
C14 C11 1.541(4) . ?
C11 C13 1.542(3) . ?
C11 C12 1.540(4) . ?
C37 C38 1.418(4) . ?
C37 C42 1.502(4) . ?
C38 C39 1.417(4) . ?
C38 C43 1.506(4) . ?
C15 C18 1.529(4) . ?
C15 C17 1.525(4) . ?
C15 C16 1.538(4) . ?
C39 C44 1.512(4) . ?
C21 C19 1.531(4) . ?
C19 C22 1.533(4) . ?
C19 C20 1.531(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6 Dy2 C10 31.64(7) . . ?
C6 Dy2 C8 51.56(8) . . ?
C6 Dy2 C9 51.22(8) . . ?
C6 Dy2 C37 163.37(8) . . ?
C6 Dy2 C38 164.87(8) . . ?
C6 Dy2 C39 143.59(8) . . ?
C6 Dy2 B1 86.13(9) . . ?
C10 Dy2 C8 51.42(8) . . ?
C10 Dy2 B1 117.72(9) . . ?
C7 Dy2 C6 31.09(7) . . ?
C7 Dy2 C10 51.27(7) . . ?
C7 Dy2 C8 30.59(7) . . ?
C7 Dy2 C9 50.24(7) . . ?
C7 Dy2 C41 164.90(8) . . ?
C7 Dy2 C37 161.25(8) . . ?
C7 Dy2 C38 133.82(8) . . ?
C7 Dy2 C39 123.55(8) . . ?
C7 Dy2 B1 73.68(9) . . ?
C40 Dy2 C6 134.19(8) . . ?
C40 Dy2 C10 102.58(8) . . ?
C40 Dy2 C7 136.14(8) . . ?
C40 Dy2 C8 106.11(8) . . ?
C40 Dy2 C9 88.61(8) . . ?
C40 Dy2 C41 31.12(9) . . ?
C40 Dy2 C37 51.20(8) . . ?
C40 Dy2 C38 51.28(8) . . ?
C40 Dy2 C39 31.08(9) . . ?
C40 Dy2 B1 139.32(9) . . ?
C8 Dy2 B1 95.41(9) . . ?
C9 Dy2 C10 30.84(8) . . ?
C9 Dy2 C8 30.58(7) . . ?
C9 Dy2 B1 123.30(9) . . ?
C41 Dy2 C6 142.42(8) . . ?
C41 Dy2 C10 116.19(8) . . ?
C41 Dy2 C8 136.96(8) . . ?
C41 Dy2 C9 114.68(8) . . ?
C41 Dy2 C37 30.91(9) . . ?
C41 Dy2 C38 51.23(8) . . ?
C41 Dy2 C39 51.33(9) . . ?
C41 Dy2 B1 121.33(9) . . ?
C37 Dy2 C10 146.99(8) . . ?
C37 Dy2 C8 145.00(8) . . ?
C37 Dy2 C9 139.53(8) . . ?
C37 Dy2 B1 92.13(9) . . ?
C38 Dy2 C10 149.67(8) . . ?
C38 Dy2 C8 115.13(9) . . ?
C38 Dy2 C9 122.41(9) . . ?
C38 Dy2 C37 30.90(9) . . ?
C38 Dy2 B1 88.44(9) . . ?
C39 Dy2 C10 118.71(8) . . ?
C39 Dy2 C8 95.12(8) . . ?
C39 Dy2 C9 92.91(8) . . ?
C39 Dy2 C37 51.12(9) . . ?
C39 Dy2 C38 30.96(9) . . ?
C39 Dy2 B1 114.70(9) . . ?
C1 Dy1 C2 31.45(8) . . ?
C1 Dy1 C29 139.86(8) . . ?
C1 Dy1 C3 51.14(8) . . ?
C1 Dy1 C31 146.11(8) . . ?
C1 Dy1 C4 51.39(7) . . ?
C1 Dy1 B1 89.54(8) . . ?
C1 Dy1 B2 85.17(9) . . ?
C5 Dy1 C1 31.16(7) . . ?
C5 Dy1 C30 138.96(8) . . ?
C5 Dy1 C2 51.34(8) . . ?
C5 Dy1 C29 122.62(8) . . ?
C5 Dy1 C3 50.35(8) . . ?
C5 Dy1 C28 129.27(8) . . ?
C5 Dy1 C31 169.38(9) . . ?
C5 Dy1 C4 30.57(8) . . ?
C5 Dy1 C27 155.44(8) . . ?
C5 Dy1 B1 111.05(8) . . ?
C5 Dy1 B2 68.51(9) . . ?
C30 Dy1 C1 133.92(8) . . ?
C30 Dy1 C2 102.49(8) . . ?
C30 Dy1 C29 31.29(8) . . ?
C30 Dy1 C3 90.35(8) . . ?
C30 Dy1 C31 30.87(9) . . ?
C30 Dy1 C4 109.28(8) . . ?
C30 Dy1 B1 104.20(8) . . ?
C30 Dy1 B2 140.07(9) . . ?
C2 Dy1 C4 51.35(7) . . ?
C2 Dy1 B1 100.89(8) . . ?
C2 Dy1 B2 115.91(9) . . ?
C29 Dy1 C2 113.99(8) . . ?
C29 Dy1 C3 88.86(8) . . ?
C29 Dy1 C31 51.07(8) . . ?
C29 Dy1 C4 93.34(8) . . ?
C29 Dy1 B1 126.23(8) . . ?
C29 Dy1 B2 115.67(9) . . ?
C3 Dy1 C2 30.95(7) . . ?
C3 Dy1 C4 30.51(8) . . ?
C3 Dy1 B1 131.76(8) . . ?
C3 Dy1 B2 116.92(9) . . ?
C28 Dy1 C1 159.69(8) . . ?
C28 Dy1 C30 51.45(8) . . ?
C28 Dy1 C2 144.27(9) . . ?
C28 Dy1 C29 30.80(9) . . ?
C28 Dy1 C3 115.99(9) . . ?
C28 Dy1 C31 51.17(8) . . ?
C28 Dy1 C4 109.00(8) . . ?
C28 Dy1 B1 108.67(9) . . ?
C28 Dy1 B2 89.21(9) . . ?
C31 Dy1 C2 120.86(8) . . ?
C31 Dy1 C3 119.07(8) . . ?
C31 Dy1 C4 140.05(8) . . ?
C31 Dy1 B1 76.32(8) . . ?
C31 Dy1 B2 121.28(9) . . ?
C4 Dy1 B1 140.08(8) . . ?
C4 Dy1 B2 87.95(9) . . ?
C27 Dy1 C1 168.27(8) . . ?
C27 Dy1 C30 51.28(8) . . ?
C27 Dy1 C2 151.46(8) . . ?
C27 Dy1 C29 51.12(8) . . ?
C27 Dy1 C3 138.90(8) . . ?
C27 Dy1 C28 31.15(8) . . ?
C27 Dy1 C31 30.85(8) . . ?
C27 Dy1 C4 140.08(8) . . ?
C27 Dy1 B1 78.73(8) . . ?
C27 Dy1 B2 92.27(9) . . ?
B1 Dy1 B2 79.82(10) . . ?
C6 C1 Dy1 117.33(16) . . ?
C5 C1 Dy1 73.50(14) . . ?
C5 C1 C6 123.7(2) . . ?
C5 C1 C2 106.9(2) . . ?
C2 C1 Dy1 75.55(14) . . ?
C2 C1 C6 129.4(2) . . ?
C1 C6 Dy2 119.73(17) . . ?
C10 C6 Dy2 75.22(15) . . ?
C10 C6 C1 131.3(2) . . ?
C7 C6 Dy2 73.83(15) . . ?
C7 C6 C1 122.1(2) . . ?
C7 C6 C10 106.5(2) . . ?
C1 C5 Dy1 75.34(14) . . ?
C4 C5 Dy1 77.63(15) . . ?
C4 C5 C1 110.5(2) . . ?
C29 C30 Dy1 74.86(14) . . ?
C29 C30 C35 124.8(3) . . ?
C31 C30 Dy1 75.39(14) . . ?
C31 C30 C29 107.6(2) . . ?
C31 C30 C35 126.4(3) . . ?
C35 C30 Dy1 125.06(18) . . ?
C1 C2 Dy1 73.00(14) . . ?
C1 C2 C11 130.9(2) . . ?
C3 C2 Dy1 73.87(15) . . ?
C3 C2 C1 106.0(2) . . ?
C3 C2 C11 121.6(2) . . ?
C11 C2 Dy1 128.88(16) . . ?
C30 C29 Dy1 73.85(14) . . ?
C30 C29 C34 123.1(3) . . ?
C28 C29 Dy1 74.05(14) . . ?
C28 C29 C30 108.0(2) . . ?
C28 C29 C34 127.3(3) . . ?
C34 C29 Dy1 129.42(19) . . ?
C2 C3 Dy1 75.18(15) . . ?
C4 C3 Dy1 76.08(15) . . ?
C4 C3 C2 110.4(2) . . ?
C29 C28 Dy1 75.15(15) . . ?
C29 C28 C27 108.0(2) . . ?
C29 C28 C33 127.1(3) . . ?
C27 C28 Dy1 74.33(15) . . ?
C27 C28 C33 124.4(3) . . ?
C33 C28 Dy1 122.99(18) . . ?
C6 C10 Dy2 73.14(14) . . ?
C6 C10 C23 130.9(2) . . ?
C23 C10 Dy2 124.72(17) . . ?
C9 C10 Dy2 74.37(15) . . ?
C9 C10 C6 106.3(2) . . ?
C9 C10 C23 122.2(2) . . ?
C26 C23 C10 113.0(2) . . ?
C25 C23 C26 110.3(2) . . ?
C25 C23 C10 110.3(2) . . ?
C25 C23 C24 107.2(2) . . ?
C24 C23 C26 106.0(2) . . ?
C24 C23 C10 109.8(2) . . ?
C6 C7 Dy2 75.08(15) . . ?
C8 C7 Dy2 77.24(15) . . ?
C8 C7 C6 110.9(2) . . ?
C30 C31 Dy1 73.75(15) . . ?
C30 C31 C36 123.9(3) . . ?
C27 C31 Dy1 73.63(14) . . ?
C27 C31 C30 108.1(2) . . ?
C27 C31 C36 127.5(3) . . ?
C36 C31 Dy1 124.84(17) . . ?
C5 C4 Dy1 71.79(14) . . ?
C5 C4 C3 106.0(2) . . ?
C5 C4 C15 124.2(2) . . ?
C3 C4 Dy1 73.41(15) . . ?
C3 C4 C15 128.4(2) . . ?
C15 C4 Dy1 129.89(18) . . ?
C41 C40 Dy2 75.07(15) . . ?
C41 C40 C45 125.4(3) . . ?
C39 C40 Dy2 75.22(16) . . ?
C39 C40 C41 108.3(2) . . ?
C39 C40 C45 125.7(3) . . ?
C45 C40 Dy2 122.6(2) . . ?
C28 C27 Dy1 74.52(15) . . ?
C28 C27 C32 123.0(3) . . ?
C31 C27 Dy1 75.53(15) . . ?
C31 C27 C28 108.2(2) . . ?
C31 C27 C32 128.5(3) . . ?
C32 C27 Dy1 121.12(17) . . ?
C7 C8 Dy2 72.17(15) . . ?
C7 C8 C9 105.8(2) . . ?
C7 C8 C19 123.3(2) . . ?
C9 C8 Dy2 73.68(15) . . ?
C9 C8 C19 129.5(2) . . ?
C19 C8 Dy2 129.40(18) . . ?
C10 C9 Dy2 74.79(15) . . ?
C8 C9 Dy2 75.74(15) . . ?
C8 C9 C10 110.5(2) . . ?
C40 C41 Dy2 73.81(16) . . ?
C40 C41 C46 126.3(3) . . ?
C37 C41 Dy2 75.17(16) . . ?
C37 C41 C40 107.8(3) . . ?
C37 C41 C46 125.4(3) . . ?
C46 C41 Dy2 123.26(19) . . ?
C2 C11 C13 114.1(2) . . ?
C14 C11 C2 109.6(2) . . ?
C14 C11 C13 105.7(2) . . ?
C12 C11 C2 110.0(2) . . ?
C12 C11 C14 106.4(2) . . ?
C12 C11 C13 110.7(2) . . ?
C41 C37 Dy2 73.92(17) . . ?
C41 C37 C38 108.1(2) . . ?
C41 C37 C42 126.8(3) . . ?
C38 C37 Dy2 74.45(17) . . ?
C38 C37 C42 124.3(3) . . ?
C42 C37 Dy2 125.5(2) . . ?
C37 C38 Dy2 74.65(16) . . ?
C37 C38 C43 125.3(3) . . ?
C39 C38 Dy2 74.12(16) . . ?
C39 C38 C37 107.9(2) . . ?
C39 C38 C43 126.4(3) . . ?
C43 C38 Dy2 123.19(19) . . ?
C4 C15 C16 106.5(2) . . ?
C18 C15 C4 111.7(2) . . ?
C18 C15 C16 108.7(3) . . ?
C17 C15 C4 111.6(2) . . ?
C17 C15 C18 110.5(2) . . ?
C17 C15 C16 107.7(3) . . ?
C40 C39 Dy2 73.70(16) . . ?
C40 C39 C38 107.9(2) . . ?
C40 C39 C44 124.5(3) . . ?
C38 C39 Dy2 74.92(16) . . ?
C38 C39 C44 125.7(3) . . ?
C44 C39 Dy2 129.7(2) . . ?
C8 C19 C21 110.7(2) . . ?
C8 C19 C22 107.9(2) . . ?
C8 C19 C20 111.2(2) . . ?
C21 C19 C22 108.1(2) . . ?
C20 C19 C21 110.7(2) . . ?
C20 C19 C22 108.0(2) . . ?
Dy2 B1 Dy1 93.58(9) . . ?

_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 1.761
_oxdiff_exptl_absorpt_empirical_full_min 0.705
####################################################################### 
# 
# 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_exp_379
_database_code_depnum_ccdc_archive 'CCDC 1993009'
loop_
_audit_author_name
_audit_author_address
'Mian He'
;University of Sussex
United Kingdom
;
_audit_update_record             
;
2020-03-26 deposited with the CCDC.	2020-05-18 downloaded from the CCDC.
;
_audit_creation_date             2020-01-11
_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        ?
_chemical_formula_moiety         'C46 H74 B Dy2, B C24 F20'
_chemical_formula_sum            'C70 H74 B2 Dy2 F20'
_chemical_formula_weight         1641.91
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C100 H100 Dy3 B3 F20'
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'
B B 0.0090 0.0039 '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'

_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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   18.1029(5)
_cell_length_b                   20.9327(4)
_cell_length_c                   19.4229(5)
_cell_angle_alpha                90
_cell_angle_beta                 111.812(3)
_cell_angle_gamma                90
_cell_volume                     6833.2(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    19764
_cell_measurement_temperature    100
_cell_measurement_theta_max      67.0720
_cell_measurement_theta_min      2.6450
_shelx_estimated_absorpt_T_max   0.370
_shelx_estimated_absorpt_T_min   0.191
_exptl_absorpt_coefficient_mu    12.397
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.78492
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
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    1.596
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3264
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0739
_diffrn_reflns_av_unetI/netI     0.0475
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            55944
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        67.381
_diffrn_reflns_theta_max         67.381
_diffrn_reflns_theta_min         2.851
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     16.00  84.00   1.00    3.44    --    5.00  60.00-120.00   68
  2  ω    -82.00  -1.00   1.00    3.44    --    5.00  60.00-120.00   81
  3  ω    -62.00 -30.00   1.00    3.44    --  -89.00  60.00  60.00   32
  4  ω   -177.00 -62.00   1.00    3.44    --  -89.00  60.00 120.00  115
  5  ω   -170.00-135.00   1.00    3.44    --  -89.00  43.00-150.00   35
  6  ω    -96.00 -55.00   1.00    3.44    --  -89.00  43.00-150.00   41
  7  ω    -88.00 -30.00   1.00    3.44    --  -89.00  57.00-120.00   58
  8  ω    -81.00  -1.00   1.00    3.44    --  -89.00  60.00 -30.00   80
  9  ω    -62.00  -1.00   1.00    3.44    --  -89.00  43.00 120.00   61
 10  ω    -47.00  -1.00   1.00    3.44    --  -89.00  60.00 120.00   46
 11  ω   -163.00-132.00   1.00    3.44    --  -89.00  14.00 -30.00   31
 12  ω    -85.00 -58.00   1.00    3.44    --  -89.00  14.00 -30.00   27
 13  ω    -41.00 -16.00   1.00    3.44    --  -89.00  14.00 -30.00   25
 14  ω   -145.00-112.00   1.00    3.44    --  -89.00  60.00  30.00   33
 15  ω   -177.00-145.00   1.00    3.44    --  -89.00  60.00 -30.00   32
 16  ω   -176.00-135.00   1.00    3.44    --  -89.00  57.00-120.00   41
 17  ω   -175.00-150.00   1.00    3.44    --  -89.00  43.00 120.00   25
 18  ω   -131.00 -90.00   1.00    3.44    --  -89.00  43.00 120.00   41
 19  ω   -177.00-124.00   1.00    3.44    --  -89.00  60.00  60.00   53
 20  ω   -177.00-150.00   1.00    3.44    --  -89.00  29.00  30.00   27
 21  ω    -92.00 -65.00   1.00    3.44    --  -89.00  29.00  30.00   27
 22  ω   -132.00   0.00   1.00    3.44    --  -89.00  57.00 -60.00  132
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC11 (RCD3): quarter-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0072849000
_diffrn_orient_matrix_UB_12      0.0696643000
_diffrn_orient_matrix_UB_13      -0.0219200000
_diffrn_orient_matrix_UB_21      0.0840657000
_diffrn_orient_matrix_UB_22      -0.0143147000
_diffrn_orient_matrix_UB_23      0.0013259000
_diffrn_orient_matrix_UB_31      -0.0357090000
_diffrn_orient_matrix_UB_32      -0.0187765000
_diffrn_orient_matrix_UB_33      -0.0826054000
_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'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10648
_reflns_number_total             12172
_reflns_odcompleteness_completeness 99.54
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.422
_refine_diff_density_min         -1.115
_refine_diff_density_rms         0.109
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1112
_refine_ls_number_reflns         12172
_refine_ls_number_restraints     420
_refine_ls_R_factor_all          0.0759
_refine_ls_R_factor_gt           0.0692
_refine_ls_restrained_S_all      1.041
_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)+(0.0685P)²+36.2734P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1706
_refine_ls_wR_factor_ref         0.1762
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 B1-H1A
 1.19 with sigma of 0.01
 B1-H1B
 1.19 with sigma of 0.01
 B1-H1C
 1.19 with sigma of 0.01
 B1-H1D
 1.19 with sigma of 0.01
 C43-C38 \\sim C43A-C38A
 with sigma of 0.02
 C46-C41 \\sim C46A-C41A
 with sigma of 0.02
 C39-C38 \\sim C39A-C38A
 with sigma of 0.02
 C39-C40 \\sim C39A-C40A
 with sigma of 0.02
 C39-C44 \\sim C39A-C44A
 with sigma of 0.02
 C45-C40 \\sim C45A-C40A
 with sigma of 0.02
 C42-C37 \\sim C42A-C37A
 with sigma of 0.02
 C38-C37 \\sim C38A-C37A
 with sigma of 0.02
 C37-C41 \\sim C37A-C41A
 with sigma of 0.02
 C40-C41 \\sim C40A-C41A
 with sigma of 0.02
 Dy2-C43 \\sim Dy2-C43A
 with sigma of 0.04
 Dy2-C46 \\sim Dy2-C46A
 with sigma of 0.04
 Dy2-C39 \\sim Dy2-C39A
 with sigma of 0.04
 Dy2-C45 \\sim Dy2-C45A
 with sigma of 0.04
 Dy2-C42 \\sim Dy2-C42A
 with sigma of 0.04
 Dy2-C38 \\sim Dy2-C38A
 with sigma of 0.04
 Dy2-C37 \\sim Dy2-C37A
 with sigma of 0.04
 Dy2-C40 \\sim Dy2-C40A
 with sigma of 0.04
 Dy2-C41 \\sim Dy2-C41A
 with sigma of 0.04
 Dy2-C44 \\sim Dy2-C44A
 with sigma of 0.04
 C43-C39 \\sim C43A-C39A
 with sigma of 0.04
 C43-C37 \\sim C43A-C37A
 with sigma of 0.04
 C46-C37 \\sim C46A-C37A
 with sigma of 0.04
 C46-C40 \\sim C46A-C40A
 with sigma of 0.04
 C39-C45 \\sim C39A-C45A
 with sigma of 0.04
 C39-C37 \\sim C39A-C37A
 with sigma of 0.04
 C39-C41 \\sim C39A-C41A
 with sigma of 0.04
 C45-C41 \\sim C45A-C41A
 with sigma of 0.04
 C42-C38 \\sim C42A-C38A
 with sigma of 0.04
 C42-C41 \\sim C42A-C41A
 with sigma of 0.04
 C38-C40 \\sim C38A-C40A
 with sigma of 0.04
 C38-C41 \\sim C38A-C41A
 with sigma of 0.04
 C38-C44 \\sim C38A-C44A
 with sigma of 0.04
 C37-C40 \\sim C37A-C40A
 with sigma of 0.04
 C40-C44 \\sim C40A-C44A
 with sigma of 0.04
 C19-C21 \\sim C19-C21A
 with sigma of 0.02
 C19-C20 \\sim C19-C20A
 with sigma of 0.02
 C19-C22 \\sim C19-C22A
 with sigma of 0.02
 F15-C60 \\sim F15A-C60A
 with sigma of 0.02
 F11-C64 \\sim F11A-C64A
 with sigma of 0.02
 F14-C61 \\sim F14A-C61A
 with sigma of 0.02
 F13-C62 \\sim F13A-C62A
 with sigma of 0.02
 F12-C63 \\sim F12A-C63A
 with sigma of 0.02
 C64-C59 \\sim C64A-C59A
 with sigma of 0.02
 C64-C63 \\sim C64A-C63A
 with sigma of 0.02
 C60-C59 \\sim C60A-C59A
 with sigma of 0.02
 C60-C61 \\sim C60A-C61A
 with sigma of 0.02
 C59-B2 \\sim C59A-B2
 with sigma of 0.02
 C62-C61 \\sim C62A-C61A
 with sigma of 0.02
 C62-C63 \\sim C62A-C63A
 with sigma of 0.02
 F15-C59 \\sim F15A-C59A
 with sigma of 0.04
 F15-C61 \\sim F15A-C61A
 with sigma of 0.04
 F11-C59 \\sim F11A-C59A
 with sigma of 0.04
 F11-C63 \\sim F11A-C63A
 with sigma of 0.04
 F14-C60 \\sim F14A-C60A
 with sigma of 0.04
 F14-C62 \\sim F14A-C62A
 with sigma of 0.04
 F13-C61 \\sim F13A-C61A
 with sigma of 0.04
 F13-C63 \\sim F13A-C63A
 with sigma of 0.04
 F12-C64 \\sim F12A-C64A
 with sigma of 0.04
 F12-C62 \\sim F12A-C62A
 with sigma of 0.04
 C64-C60 \\sim C64A-C60A
 with sigma of 0.04
 C64-C62 \\sim C64A-C62A
 with sigma of 0.04
 C64-B2 \\sim C64A-B2
 with sigma of 0.04
 C60-C62 \\sim C60A-C62A
 with sigma of 0.04
 C60-B2 \\sim C60A-B2
 with sigma of 0.04
 C59-C61 \\sim C59A-C61A
 with sigma of 0.04
 C59-C63 \\sim C59A-C63A
 with sigma of 0.04
 C61-C63 \\sim C61A-C63A
 with sigma of 0.04
3. Rigid body (RIGU) restrains
 C43, C43A, C38, C38A, C37, C42, C42A, C37A, C41, C46, C41A, C46A, C40, C45,
 C40A, C45A, C39, C44, C39A, C44A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C21, C21A, C20, C20A, C22, C22A, C19
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 F11, F11A, F12, F12A, F13, F13A, F14, F14A, F15, F15A, C59, C59A, C60, C60A,
 C61A, C61, C62, C62A, C63A, C63, C64, C64A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Sof(C44A)=Sof(H44D)=Sof(H44E)=Sof(H44F)=Sof(C43A)=Sof(H43D)=Sof(H43E)=
 Sof(H43F)=Sof(C42A)=Sof(H42D)=Sof(H42E)=Sof(H42F)=Sof(C46A)=Sof(H46D)=
 Sof(H46E)=Sof(H46F)=Sof(C45A)=Sof(H45D)=Sof(H45E)=Sof(H45F)=Sof(C40A)=
 Sof(C39A)=Sof(C38A)=Sof(C37A)=Sof(C41A)=1-FVAR(1)
 Sof(C43)=Sof(H43A)=Sof(H43B)=Sof(H43C)=Sof(C46)=Sof(H46A)=Sof(H46B)=Sof(H46C)=
 Sof(C39)=Sof(C45)=Sof(H45A)=Sof(H45B)=Sof(H45C)=Sof(C42)=Sof(H42A)=Sof(H42B)=
 Sof(H42C)=Sof(C38)=Sof(C37)=Sof(C40)=Sof(C41)=Sof(C44)=Sof(H44A)=Sof(H44B)=
 Sof(H44C)=FVAR(1)
 Sof(C21A)=Sof(H21D)=Sof(H21E)=Sof(H21F)=Sof(C20A)=Sof(H20D)=Sof(H20E)=
 Sof(H20F)=Sof(C22A)=Sof(H22D)=Sof(H22E)=Sof(H22F)=1-FVAR(2)
 Sof(C21)=Sof(H21A)=Sof(H21B)=Sof(H21C)=Sof(C20)=Sof(H20A)=Sof(H20B)=Sof(H20C)=
 Sof(C22)=Sof(H22A)=Sof(H22B)=Sof(H22C)=FVAR(2)
 Sof(F11A)=Sof(C64A)=Sof(C63A)=Sof(F12A)=Sof(F13A)=Sof(C62A)=Sof(C61A)=
 Sof(F14A)=Sof(C60A)=Sof(C59A)=Sof(F15A)=1-FVAR(3)
 Sof(F15)=Sof(F11)=Sof(F14)=Sof(F13)=Sof(F12)=Sof(C64)=Sof(C60)=Sof(C59)=
 Sof(C62)=Sof(C61)=Sof(C63)=FVAR(3)
5.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C10(H10), C3(H3), C8(H8)
5.b Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C36(H36A,H36B,H36C), C15(H15A,H15B,H15C), C32(H32A,H32B,
 H32C), C35(H35A,H35B,H35C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C), C18(H18A,
 H18B,H18C), C12(H12A,H12B,H12C), C25(H25A,H25B,H25C), C24(H24A,H24B,H24C),
 C14(H14A,H14B,H14C), C11(H11A,H11B,H11C), C26(H26A,H26B,H26C), C21(H21A,H21B,
 H21C), C20(H20A,H20B,H20C), C22(H22A,H22B,H22C), C43(H43A,H43B,H43C), C46(H46A,
 H46B,H46C), C45(H45A,H45B,H45C), C42(H42A,H42B,H42C), C44(H44A,H44B,H44C),
 C44A(H44D,H44E,H44F), C43A(H43D,H43E,H43F), C42A(H42D,H42E,H42F), C46A(H46D,
 H46E,H46F), C45A(H45D,H45E,H45F), C21A(H21D,H21E,H21F), C20A(H20D,H20E,H20F),
 C22A(H22D,H22E,H22F)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 1.05641(3) 0.78425(2) 0.70644(2) 0.04867(15) Uani 1 1 d . . . . .
Dy2 Dy 1.01499(3) 0.58596(2) 0.79991(2) 0.05048(15) Uani 1 1 d D . . . .
F16 F 0.4974(2) 0.76882(19) 0.7795(2) 0.0486(9) Uani 1 1 d . . . . .
F6 F 0.3974(3) 0.5781(2) 0.6409(3) 0.0581(11) Uani 1 1 d . . . . .
F10 F 0.4738(3) 0.7945(2) 0.6339(2) 0.0599(12) Uani 1 1 d . . . . .
F5 F 0.3931(3) 0.6519(2) 0.7608(3) 0.0693(14) Uani 1 1 d . . . . .
F9 F 0.3334(3) 0.8177(2) 0.5300(3) 0.0677(13) Uani 1 1 d . . . . .
F8 F 0.2259(3) 0.7235(3) 0.4740(2) 0.0652(13) Uani 1 1 d . . . . .
F7 F 0.2597(3) 0.6018(2) 0.5320(3) 0.0667(13) Uani 1 1 d . . . . .
F20 F 0.7029(3) 0.6844(3) 0.7122(3) 0.0814(17) Uani 1 1 d . . . . .
F17 F 0.5955(3) 0.8618(2) 0.8537(3) 0.0665(13) Uani 1 1 d . . . . .
F1 F 0.6626(3) 0.5984(3) 0.8145(3) 0.0783(16) Uani 1 1 d . . . . .
F15 F 0.5592(13) 0.5181(6) 0.7042(9) 0.049(3) Uani 0.61(2) 1 d D U P A 1
F11 F 0.5656(9) 0.7123(4) 0.5810(7) 0.047(2) Uani 0.61(2) 1 d D U P A 1
F18 F 0.7488(3) 0.8659(3) 0.8601(3) 0.0821(16) Uani 1 1 d . . . . .
F19 F 0.7992(3) 0.7751(4) 0.7882(3) 0.096(2) Uani 1 1 d . . . . .
F14 F 0.5853(7) 0.4550(4) 0.6005(6) 0.057(3) Uani 0.61(2) 1 d D U P A 1
F13 F 0.6036(6) 0.5164(5) 0.4835(5) 0.056(3) Uani 0.61(2) 1 d D U P A 1
F2 F 0.6725(5) 0.5525(3) 0.9452(3) 0.125(3) Uani 1 1 d . . . . .
F4 F 0.4043(6) 0.6053(3) 0.8902(4) 0.119(3) Uani 1 1 d . . . . .
F12 F 0.5937(7) 0.6472(5) 0.4759(5) 0.059(3) Uani 0.61(2) 1 d D U P A 1
C5 C 0.9670(4) 0.6868(3) 0.6314(4) 0.0449(16) Uani 1 1 d . . . . .
C47 C 0.5275(5) 0.6264(3) 0.7794(4) 0.0494(18) Uani 1 1 d . . . . .
C65 C 0.5933(4) 0.7213(4) 0.7396(4) 0.0530(19) Uani 1 1 d . . . . .
C66 C 0.5716(4) 0.7697(4) 0.7789(4) 0.0476(17) Uani 1 1 d . . . . .
C6 C 0.9867(4) 0.6188(4) 0.6585(4) 0.0429(16) Uani 1 1 d . . . . .
C7 C 0.9339(4) 0.5676(3) 0.6535(4) 0.0442(16) Uani 1 1 d . . . . .
C19 C 0.8431(4) 0.5638(3) 0.6136(4) 0.0477(16) Uani 1 1 d D U . . .
C2 C 0.9098(5) 0.7870(3) 0.6143(5) 0.0509(18) Uani 1 1 d . . . . .
C64 C 0.5720(12) 0.6500(7) 0.5881(9) 0.042(3) Uani 0.61(2) 1 d D U P A 1
F3 F 0.5409(7) 0.5530(4) 0.9832(3) 0.164(5) Uani 1 1 d . . . . .
C48 C 0.5958(6) 0.6012(4) 0.8300(4) 0.059(2) Uani 1 1 d . . . . .
C29 C 1.1467(5) 0.8771(3) 0.7802(4) 0.0466(16) Uani 1 1 d . . . . .
C55 C 0.3120(5) 0.6492(4) 0.5578(4) 0.0519(18) Uani 1 1 d . . . . .
C53 C 0.4435(4) 0.6841(4) 0.6448(4) 0.0468(17) Uani 1 1 d . . . . .
C4 C 0.9889(5) 0.7182(4) 0.5760(4) 0.0492(17) Uani 1 1 d . . . . .
C1 C 0.9196(4) 0.7288(4) 0.6533(4) 0.0478(17) Uani 1 1 d . . . . .
H1 H 0.897219 0.719467 0.689259 0.057 Uiso 1 1 calc R . . . .
C10 C 1.0650(5) 0.5947(4) 0.6914(4) 0.0481(17) Uani 1 1 d . . . . .
H10 H 1.112138 0.619350 0.702440 0.058 Uiso 1 1 calc R . . . .
C30 C 1.1969(5) 0.8215(4) 0.7979(4) 0.0545(19) Uani 1 1 d . . . . .
C52 C 0.4634(6) 0.6272(4) 0.8026(5) 0.060(2) Uani 1 1 d . . . . .
C3 C 0.9541(5) 0.7804(4) 0.5677(4) 0.0497(18) Uani 1 1 d . . . . .
H3 H 0.959790 0.812687 0.535596 0.060 Uiso 1 1 calc R . . . .
C9 C 1.0629(5) 0.5298(4) 0.7052(4) 0.0484(18) Uani 1 1 d . . . . .
C67 C 0.6205(5) 0.8188(4) 0.8183(4) 0.057(2) Uani 1 1 d . . . . .
C31 C 1.2097(5) 0.8011(4) 0.7333(4) 0.0523(18) Uani 1 1 d . . . . .
C58 C 0.4225(5) 0.7442(4) 0.6128(4) 0.0506(18) Uani 1 1 d . . . . .
C27 C 1.1679(5) 0.8445(4) 0.6753(4) 0.0478(17) Uani 1 1 d . . . . .
C54 C 0.3849(4) 0.6386(4) 0.6144(4) 0.0474(17) Uani 1 1 d . . . . .
C57 C 0.3497(5) 0.7578(4) 0.5569(4) 0.0538(19) Uani 1 1 d . . . . .
C8 C 0.9818(5) 0.5129(4) 0.6833(4) 0.0494(18) Uani 1 1 d . . . . .
H8 H 0.962390 0.471509 0.687640 0.059 Uiso 1 1 calc R . . . .
C60 C 0.5670(15) 0.5542(7) 0.6485(10) 0.047(4) Uani 0.61(2) 1 d D U P A 1
C59 C 0.5626(15) 0.6195(7) 0.6484(11) 0.041(4) Uani 0.61(2) 1 d D U P A 1
C56 C 0.2953(5) 0.7107(4) 0.5290(4) 0.0545(19) Uani 1 1 d . . . . .
C70 C 0.6720(5) 0.7284(5) 0.7452(4) 0.062(2) Uani 1 1 d . . . . .
C28 C 1.1290(4) 0.8907(3) 0.7045(4) 0.0460(16) Uani 1 1 d . . . . .
C17 C 1.1136(5) 0.6726(5) 0.5612(5) 0.062(2) Uani 1 1 d . . . . .
H17A H 1.143741 0.710926 0.584339 0.093 Uiso 1 1 calc GR . . . .
H17B H 1.133575 0.655940 0.524253 0.093 Uiso 1 1 calc GR . . . .
H17C H 1.120003 0.640080 0.599295 0.093 Uiso 1 1 calc GR . . . .
C23 C 1.1364(5) 0.4878(4) 0.7378(5) 0.060(2) Uani 1 1 d . . . . .
C36 C 1.1751(5) 0.8479(4) 0.6007(5) 0.058(2) Uani 1 1 d . . . . .
H36A H 1.197153 0.807623 0.590996 0.086 Uiso 1 1 calc GR . . . .
H36B H 1.210500 0.883193 0.600337 0.086 Uiso 1 1 calc GR . . . .
H36C H 1.122452 0.854954 0.562238 0.086 Uiso 1 1 calc GR . . . .
C16 C 1.0245(5) 0.6898(4) 0.5230(4) 0.0534(19) Uani 1 1 d . . . . .
C69 C 0.7220(5) 0.7759(5) 0.7854(5) 0.064(2) Uani 1 1 d . . . . .
C15 C 1.0167(6) 0.7376(5) 0.4609(5) 0.072(3) Uani 1 1 d . . . . .
H15A H 0.960315 0.746955 0.433387 0.107 Uiso 1 1 calc GR . . . .
H15B H 1.039993 0.719233 0.427177 0.107 Uiso 1 1 calc GR . . . .
H15C H 1.044746 0.777107 0.482503 0.107 Uiso 1 1 calc GR . . . .
C32 C 1.0866(5) 0.9490(4) 0.6650(5) 0.0561(19) Uani 1 1 d . . . . .
H32A H 1.052683 0.937848 0.614023 0.084 Uiso 1 1 calc GR . . . .
H32B H 1.125709 0.981132 0.664205 0.084 Uiso 1 1 calc GR . . . .
H32C H 1.053755 0.966345 0.690845 0.084 Uiso 1 1 calc GR . . . .
C68 C 0.6985(6) 0.8211(5) 0.8215(5) 0.064(2) Uani 1 1 d . . . . .
C35 C 1.2655(5) 0.7494(4) 0.7313(5) 0.064(2) Uani 1 1 d . . . . .
H35A H 1.256003 0.711295 0.756208 0.096 Uiso 1 1 calc GR . . . .
H35B H 1.320499 0.763812 0.756849 0.096 Uiso 1 1 calc GR . . . .
H35C H 1.256800 0.738999 0.679694 0.096 Uiso 1 1 calc GR . . . .
C33 C 1.1234(6) 0.9165(4) 0.8331(5) 0.061(2) Uani 1 1 d . . . . .
H33A H 1.080443 0.945820 0.805248 0.092 Uiso 1 1 calc GR . . . .
H33B H 1.169419 0.941187 0.864976 0.092 Uiso 1 1 calc GR . . . .
H33C H 1.105001 0.888441 0.863882 0.092 Uiso 1 1 calc GR . . . .
C62 C 0.5902(11) 0.5502(7) 0.5360(8) 0.044(3) Uani 0.61(2) 1 d D U P A 1
C34 C 1.2379(6) 0.7942(5) 0.8754(5) 0.074(3) Uani 1 1 d . . . . .
H34A H 1.206958 0.805004 0.905820 0.110 Uiso 1 1 calc GR . . . .
H34B H 1.291419 0.812379 0.897865 0.110 Uiso 1 1 calc GR . . . .
H34C H 1.241635 0.747664 0.872337 0.110 Uiso 1 1 calc GR . . . .
B2 B 0.5317(5) 0.6621(5) 0.7049(5) 0.051(2) Uani 1 1 d D . . . .
C13 C 0.8648(5) 0.8449(4) 0.6251(6) 0.063(2) Uani 1 1 d . . . . .
C49 C 0.6019(9) 0.5767(4) 0.8996(5) 0.091(4) Uani 1 1 d . . . . .
C18 C 0.9800(6) 0.6286(5) 0.4883(5) 0.068(2) Uani 1 1 d . . . . .
H18A H 0.986307 0.597037 0.527392 0.102 Uiso 1 1 calc GR . . . .
H18B H 1.001844 0.611342 0.452958 0.102 Uiso 1 1 calc GR . . . .
H18C H 0.923411 0.638183 0.462480 0.102 Uiso 1 1 calc GR . . . .
C61 C 0.5810(9) 0.5183(6) 0.5955(8) 0.044(3) Uani 0.61(2) 1 d D U P A 1
C12 C 0.8588(6) 0.8961(5) 0.5685(7) 0.085(3) Uani 1 1 d . . . . .
H12A H 0.911903 0.913214 0.577206 0.127 Uiso 1 1 calc GR . . . .
H12B H 0.824301 0.930647 0.573130 0.127 Uiso 1 1 calc GR . . . .
H12C H 0.836257 0.877842 0.518593 0.127 Uiso 1 1 calc GR . . . .
C25 C 1.1857(6) 0.5129(5) 0.8168(5) 0.082(3) Uani 1 1 d . . . . .
H25A H 1.198150 0.558197 0.814070 0.122 Uiso 1 1 calc GR . . . .
H25B H 1.235287 0.488507 0.837657 0.122 Uiso 1 1 calc GR . . . .
H25C H 1.154833 0.507941 0.848569 0.122 Uiso 1 1 calc GR . . . .
C51 C 0.4676(9) 0.6029(5) 0.8700(6) 0.083(3) Uani 1 1 d . . . . .
C24 C 1.1860(7) 0.4908(6) 0.6901(7) 0.092(4) Uani 1 1 d . . . . .
H24A H 1.153020 0.478980 0.639023 0.138 Uiso 1 1 calc GR . . . .
H24B H 1.230732 0.460953 0.709403 0.138 Uiso 1 1 calc GR . . . .
H24C H 1.206301 0.534251 0.690865 0.138 Uiso 1 1 calc GR . . . .
C14 C 0.7816(6) 0.8250(5) 0.6188(7) 0.084(3) Uani 1 1 d . . . . .
H14A H 0.749494 0.814923 0.566979 0.127 Uiso 1 1 calc GR . . . .
H14B H 0.756630 0.860140 0.635601 0.127 Uiso 1 1 calc GR . . . .
H14C H 0.785114 0.787294 0.649686 0.127 Uiso 1 1 calc GR . . . .
C50 C 0.5360(12) 0.5778(5) 0.9172(6) 0.102(5) Uani 1 1 d . . . . .
C11 C 0.9101(6) 0.8701(4) 0.7043(6) 0.075(3) Uani 1 1 d . . . . .
H11A H 0.912588 0.836506 0.740285 0.112 Uiso 1 1 calc GR . . . .
H11B H 0.882256 0.907357 0.713368 0.112 Uiso 1 1 calc GR . . . .
H11C H 0.964150 0.882288 0.709524 0.112 Uiso 1 1 calc GR . . . .
B1 B 1.0685(9) 0.7073(5) 0.8227(6) 0.071(3) Uani 1 1 d D . . . .
C26 C 1.1132(6) 0.4175(4) 0.7437(6) 0.075(3) Uani 1 1 d . . . . .
H26A H 1.076024 0.415707 0.769726 0.113 Uiso 1 1 calc GR . . . .
H26B H 1.160994 0.392794 0.771351 0.113 Uiso 1 1 calc GR . . . .
H26C H 1.087697 0.399524 0.693877 0.113 Uiso 1 1 calc GR . . . .
C63 C 0.5850(11) 0.6161(7) 0.5332(8) 0.048(3) Uani 0.61(2) 1 d D U P A 1
C21 C 0.8156(7) 0.5891(7) 0.5357(6) 0.067(4) Uani 0.694(13) 1 d D U P B 1
H21A H 0.835254 0.632800 0.536318 0.101 Uiso 0.694(13) 1 calc GR . P B 1
H21B H 0.757334 0.589067 0.513945 0.101 Uiso 0.694(13) 1 calc GR . P B 1
H21C H 0.836369 0.561898 0.505900 0.101 Uiso 0.694(13) 1 calc GR . P B 1
C20 C 0.8024(7) 0.6021(6) 0.6555(7) 0.057(3) Uani 0.694(13) 1 d D U P B 1
H20A H 0.826601 0.591982 0.708512 0.085 Uiso 0.694(13) 1 calc GR . P B 1
H20B H 0.745707 0.591292 0.637042 0.085 Uiso 0.694(13) 1 calc GR . P B 1
H20C H 0.808669 0.647781 0.648157 0.085 Uiso 0.694(13) 1 calc GR . P B 1
C22 C 0.8109(7) 0.4949(5) 0.6118(8) 0.065(4) Uani 0.694(13) 1 d D U P B 1
H22A H 0.833019 0.467275 0.583405 0.097 Uiso 0.694(13) 1 calc GR . P B 1
H22B H 0.752763 0.495189 0.588184 0.097 Uiso 0.694(13) 1 calc GR . P B 1
H22C H 0.826702 0.478578 0.662523 0.097 Uiso 0.694(13) 1 calc GR . P B 1
C43 C 0.972(2) 0.6707(9) 0.9434(16) 0.122(10) Uani 0.548(12) 1 d D U P C 1
H43A H 0.999475 0.701157 0.922815 0.183 Uiso 0.548(12) 1 calc GR . P C 1
H43B H 0.996231 0.671713 0.997678 0.183 Uiso 0.548(12) 1 calc GR . P C 1
H43C H 0.915704 0.682402 0.927357 0.183 Uiso 0.548(12) 1 calc GR . P C 1
C46 C 1.0953(11) 0.4560(8) 0.9350(10) 0.076(5) Uani 0.548(12) 1 d D U P C 1
H46A H 1.083901 0.423898 0.895655 0.114 Uiso 0.548(12) 1 calc GR . P C 1
H46B H 1.092435 0.436110 0.979611 0.114 Uiso 0.548(12) 1 calc GR . P C 1
H46C H 1.148802 0.473381 0.946251 0.114 Uiso 0.548(12) 1 calc GR . P C 1
C39 C 0.9204(10) 0.5639(11) 0.8700(12) 0.069(5) Uani 0.548(12) 1 d D U P C 1
C45 C 0.9112(13) 0.4440(8) 0.8299(9) 0.084(6) Uani 0.548(12) 1 d D U P C 1
H45A H 0.861988 0.455192 0.788636 0.125 Uiso 0.548(12) 1 calc GR . P C 1
H45B H 0.898311 0.419340 0.866849 0.125 Uiso 0.548(12) 1 calc GR . P C 1
H45C H 0.945106 0.418327 0.811305 0.125 Uiso 0.548(12) 1 calc GR . P C 1
C42 C 1.1301(13) 0.5964(12) 0.9962(9) 0.100(8) Uani 0.548(12) 1 d D U P C 1
H42A H 1.175280 0.577162 0.987520 0.151 Uiso 0.548(12) 1 calc GR . P C 1
H42B H 1.134821 0.587593 1.047243 0.151 Uiso 0.548(12) 1 calc GR . P C 1
H42C H 1.130041 0.642627 0.988545 0.151 Uiso 0.548(12) 1 calc GR . P C 1
C38 C 0.9791(16) 0.6057(8) 0.9168(13) 0.077(6) Uani 0.548(12) 1 d D U P C 1
C37 C 1.0508(10) 0.5671(12) 0.9409(9) 0.064(5) Uani 0.548(12) 1 d D U P C 1
C40 C 0.9546(13) 0.5042(8) 0.8652(9) 0.050(4) Uani 0.548(12) 1 d D U P C 1
C41 C 1.0368(13) 0.5077(9) 0.9103(11) 0.055(4) Uani 0.548(12) 1 d D U P C 1
C44 C 0.8328(11) 0.5840(13) 0.8434(14) 0.112(9) Uani 0.548(12) 1 d D U P C 1
H44A H 0.825441 0.624082 0.815535 0.169 Uiso 0.548(12) 1 calc GR . P C 1
H44B H 0.817518 0.590178 0.886321 0.169 Uiso 0.548(12) 1 calc GR . P C 1
H44C H 0.799571 0.550638 0.811318 0.169 Uiso 0.548(12) 1 calc GR . P C 1
C44A C 0.8636(12) 0.6475(10) 0.8678(12) 0.071(6) Uani 0.452(12) 1 d D U P C 2
H44D H 0.887602 0.688006 0.861524 0.107 Uiso 0.452(12) 1 calc GR . P C 2
H44E H 0.847426 0.650699 0.910568 0.107 Uiso 0.452(12) 1 calc GR . P C 2
H44F H 0.816913 0.638452 0.823076 0.107 Uiso 0.452(12) 1 calc GR . P C 2
C43A C 1.0372(12) 0.6598(8) 0.9772(9) 0.052(4) Uani 0.452(12) 1 d D U P C 2
H43D H 1.095188 0.656151 1.000327 0.079 Uiso 0.452(12) 1 calc GR . P C 2
H43E H 1.014581 0.662029 1.015812 0.079 Uiso 0.452(12) 1 calc GR . P C 2
H43F H 1.023167 0.698532 0.946772 0.079 Uiso 0.452(12) 1 calc GR . P C 2
C42A C 1.1319(11) 0.5309(11) 0.9870(9) 0.069(6) Uani 0.452(12) 1 d D U P C 2
H42D H 1.152967 0.492934 0.971213 0.104 Uiso 0.452(12) 1 calc GR . P C 2
H42E H 1.134062 0.524779 1.037764 0.104 Uiso 0.452(12) 1 calc GR . P C 2
H42F H 1.163877 0.568263 0.985423 0.104 Uiso 0.452(12) 1 calc GR . P C 2
C46A C 1.0053(17) 0.4304(8) 0.8837(12) 0.087(8) Uani 0.452(12) 1 d D U P C 2
H46D H 0.971221 0.414669 0.834659 0.131 Uiso 0.452(12) 1 calc GR . P C 2
H46E H 0.992967 0.407363 0.922019 0.131 Uiso 0.452(12) 1 calc GR . P C 2
H46F H 1.061252 0.423470 0.890931 0.131 Uiso 0.452(12) 1 calc GR . P C 2
C45A C 0.8357(12) 0.5001(12) 0.8140(10) 0.082(7) Uani 0.452(12) 1 d D U P C 2
H45D H 0.810409 0.490221 0.849448 0.122 Uiso 0.452(12) 1 calc GR . P C 2
H45E H 0.842297 0.460735 0.789656 0.122 Uiso 0.452(12) 1 calc GR . P C 2
H45F H 0.802106 0.530038 0.776603 0.122 Uiso 0.452(12) 1 calc GR . P C 2
C40A C 0.9158(13) 0.5300(10) 0.8544(10) 0.051(4) Uani 0.452(12) 1 d D U P C 2
C39A C 0.9251(10) 0.5930(10) 0.8809(10) 0.043(4) Uani 0.452(12) 1 d D U P C 2
C38A C 1.0048(13) 0.6033(9) 0.9299(11) 0.046(5) Uani 0.452(12) 1 d D U P C 2
C37A C 1.0436(11) 0.5419(12) 0.9338(11) 0.059(6) Uani 0.452(12) 1 d D U P C 2
C41A C 0.9911(18) 0.4992(7) 0.8890(11) 0.048(4) Uani 0.452(12) 1 d D U P C 2
C21A C 0.8016(14) 0.6260(9) 0.5870(14) 0.048(6) Uani 0.306(13) 1 d D U P B 2
H21D H 0.795556 0.648796 0.628660 0.072 Uiso 0.306(13) 1 calc GR . P B 2
H21E H 0.748969 0.617943 0.548823 0.072 Uiso 0.306(13) 1 calc GR . P B 2
H21F H 0.833062 0.652049 0.565996 0.072 Uiso 0.306(13) 1 calc GR . P B 2
C20A C 0.8083(14) 0.5277(12) 0.6596(14) 0.057(6) Uani 0.306(13) 1 d D U P B 2
H20D H 0.826175 0.483188 0.663790 0.086 Uiso 0.306(13) 1 calc GR . P B 2
H20E H 0.750108 0.529165 0.636458 0.086 Uiso 0.306(13) 1 calc GR . P B 2
H20F H 0.825480 0.546853 0.709162 0.086 Uiso 0.306(13) 1 calc GR . P B 2
C22A C 0.8371(15) 0.5230(13) 0.5432(13) 0.059(7) Uani 0.306(13) 1 d D U P B 2
H22D H 0.858732 0.547651 0.512123 0.089 Uiso 0.306(13) 1 calc GR . P B 2
H22E H 0.781219 0.512601 0.514658 0.089 Uiso 0.306(13) 1 calc GR . P B 2
H22F H 0.867579 0.483375 0.559135 0.089 Uiso 0.306(13) 1 calc GR . P B 2
F11A F 0.5683(15) 0.6820(18) 0.5756(12) 0.101(9) Uani 0.39(2) 1 d D U P A 2
C64A C 0.570(2) 0.6215(18) 0.5923(13) 0.086(9) Uani 0.39(2) 1 d D U P A 2
C63A C 0.585(2) 0.5800(19) 0.5441(16) 0.108(11) Uani 0.39(2) 1 d D U P A 2
F12A F 0.5976(11) 0.603(2) 0.4840(9) 0.143(14) Uani 0.39(2) 1 d D U P A 2
F13A F 0.6056(10) 0.474(2) 0.5106(13) 0.143(14) Uani 0.39(2) 1 d D U P A 2
C62A C 0.5906(17) 0.5153(18) 0.5562(13) 0.106(10) Uani 0.39(2) 1 d D U P A 2
C61A C 0.5783(19) 0.4930(15) 0.6194(15) 0.094(9) Uani 0.39(2) 1 d D U P A 2
F14A F 0.5801(13) 0.4297(14) 0.6300(14) 0.106(9) Uani 0.39(2) 1 d D U P A 2
C60A C 0.561(2) 0.5374(12) 0.6638(15) 0.063(7) Uani 0.39(2) 1 d D U P A 2
C59A C 0.555(3) 0.6030(12) 0.6560(18) 0.071(10) Uani 0.39(2) 1 d D U P A 2
F15A F 0.546(2) 0.5081(13) 0.7205(15) 0.058(6) Uani 0.39(2) 1 d D U P A 2
H1A H 1.066(6) 0.7624(13) 0.836(5) 0.09(3) Uiso 1 1 d D . . . .
H1B H 1.088(5) 0.681(4) 0.881(3) 0.08(3) Uiso 1 1 d D . . . .
H1C H 1.098(7) 0.709(7) 0.777(6) 0.15(5) Uiso 1 1 d D . . . .
H1D H 0.9988(13) 0.698(4) 0.798(4) 0.06(2) Uiso 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 C5 2.675(7) . ?
Dy1 C2 2.592(8) . ?
Dy1 C29 2.599(7) . ?
Dy1 C4 2.742(8) . ?
Dy1 C1 2.578(7) . ?
Dy1 C30 2.622(8) . ?
Dy1 C3 2.644(8) . ?
Dy1 C31 2.650(8) . ?
Dy1 C27 2.634(8) . ?
Dy1 C28 2.594(7) . ?
Dy1 B1 2.715(10) . ?
Dy2 C10 2.591(8) . ?
Dy2 C9 2.589(7) . ?
Dy2 C8 2.613(7) . ?
Dy2 C39 2.594(18) . ?
Dy2 C38 2.62(2) . ?
Dy2 C37 2.600(16) . ?
Dy2 C40 2.599(15) . ?
Dy2 C41 2.610(15) . ?
Dy2 C39A 2.655(18) . ?
Dy2 C38A 2.62(2) . ?
Dy2 C37A 2.62(2) . ?
Dy2 C41A 2.652(18) . ?
F16 C66 1.348(9) . ?
F6 C54 1.354(9) . ?
F10 C58 1.361(9) . ?
F5 C52 1.334(11) . ?
F9 C57 1.348(10) . ?
F8 C56 1.341(9) . ?
F7 C55 1.333(9) . ?
F20 C70 1.355(10) . ?
F17 C67 1.312(11) . ?
F1 C48 1.353(11) . ?
F15 C60 1.371(15) . ?
F11 C64 1.314(17) . ?
F18 C68 1.329(10) . ?
F19 C69 1.379(10) . ?
F14 C61 1.328(15) . ?
F13 C62 1.335(13) . ?
F2 C49 1.355(14) . ?
F4 C51 1.342(14) . ?
F12 C63 1.349(15) . ?
C5 C6 1.512(10) . ?
C5 C4 1.438(11) . ?
C5 C1 1.400(11) . ?
C47 C48 1.367(12) . ?
C47 C52 1.392(12) . ?
C47 B2 1.656(11) . ?
C65 C66 1.409(12) . ?
C65 C70 1.398(12) . ?
C65 B2 1.636(13) . ?
C66 C67 1.387(11) . ?
C6 C7 1.416(11) . ?
C6 C10 1.415(10) . ?
C7 C19 1.537(10) . ?
C7 C8 1.424(10) . ?
C19 C21 1.505(13) . ?
C19 C20 1.514(13) . ?
C19 C22 1.550(13) . ?
C19 C21A 1.497(17) . ?
C19 C20A 1.477(19) . ?
C19 C22A 1.582(18) . ?
C2 C1 1.409(10) . ?
C2 C3 1.423(12) . ?
C2 C13 1.519(11) . ?
C64 C59 1.398(18) . ?
C64 C63 1.372(17) . ?
F3 C50 1.354(11) . ?
C48 C49 1.412(14) . ?
C29 C30 1.438(11) . ?
C29 C28 1.413(10) . ?
C29 C33 1.497(11) . ?
C55 C54 1.387(11) . ?
C55 C56 1.390(12) . ?
C53 C58 1.392(11) . ?
C53 C54 1.384(11) . ?
C53 B2 1.656(11) . ?
C4 C3 1.428(10) . ?
C4 C16 1.525(11) . ?
C10 C9 1.390(11) . ?
C30 C31 1.423(12) . ?
C30 C34 1.520(11) . ?
C52 C51 1.381(13) . ?
C9 C8 1.413(11) . ?
C9 C23 1.522(10) . ?
C67 C68 1.391(13) . ?
C31 C27 1.426(10) . ?
C31 C35 1.491(11) . ?
C58 C57 1.391(10) . ?
C27 C28 1.431(10) . ?
C27 C36 1.504(11) . ?
C57 C56 1.356(12) . ?
C60 C59 1.369(17) . ?
C60 C61 1.372(15) . ?
C59 B2 1.662(14) . ?
C70 C69 1.375(13) . ?
C28 C32 1.493(10) . ?
C17 C16 1.547(11) . ?
C23 C25 1.552(12) . ?
C23 C24 1.512(14) . ?
C23 C26 1.546(13) . ?
C16 C15 1.532(11) . ?
C16 C18 1.529(12) . ?
C69 C68 1.338(14) . ?
C62 C61 1.398(19) . ?
C62 C63 1.38(2) . ?
B2 C59A 1.706(18) . ?
C13 C12 1.511(13) . ?
C13 C14 1.522(13) . ?
C13 C11 1.542(14) . ?
C49 C50 1.36(2) . ?
C51 C50 1.34(2) . ?
C43 C38 1.478(19) . ?
C46 C41 1.465(18) . ?
C39 C38 1.41(2) . ?
C39 C40 1.41(2) . ?
C39 C44 1.53(2) . ?
C45 C40 1.509(19) . ?
C42 C37 1.56(2) . ?
C38 C37 1.45(2) . ?
C37 C41 1.36(2) . ?
C40 C41 1.42(2) . ?
C44A C39A 1.55(2) . ?
C43A C38A 1.477(17) . ?
C42A C37A 1.56(2) . ?
C46A C41A 1.473(19) . ?
C45A C40A 1.51(2) . ?
C40A C39A 1.40(2) . ?
C40A C41A 1.43(2) . ?
C39A C38A 1.42(2) . ?
C38A C37A 1.45(2) . ?
C37A C41A 1.36(2) . ?
F11A C64A 1.30(2) . ?
C64A C63A 1.38(2) . ?
C64A C59A 1.41(2) . ?
C63A F12A 1.35(2) . ?
C63A C62A 1.37(3) . ?
F13A C62A 1.336(18) . ?
C62A C61A 1.41(2) . ?
C61A F14A 1.34(2) . ?
C61A C60A 1.382(18) . ?
C60A C59A 1.38(2) . ?
C60A F15A 1.37(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
C5 Dy1 C4 30.8(2) . . ?
C5 Dy1 B1 81.1(3) . . ?
C2 Dy1 C5 51.9(2) . . ?
C2 Dy1 C29 129.5(2) . . ?
C2 Dy1 C4 51.9(2) . . ?
C2 Dy1 C30 161.4(2) . . ?
C2 Dy1 C3 31.5(3) . . ?
C2 Dy1 C31 149.5(3) . . ?
C2 Dy1 C27 120.4(2) . . ?
C2 Dy1 C28 111.4(2) . . ?
C2 Dy1 B1 109.4(3) . . ?
C29 Dy1 C5 178.5(2) . . ?
C29 Dy1 C4 149.2(2) . . ?
C29 Dy1 C30 32.0(2) . . ?
C29 Dy1 C3 130.0(2) . . ?
C29 Dy1 C31 52.7(2) . . ?
C29 Dy1 C27 52.4(2) . . ?
C29 Dy1 B1 98.4(3) . . ?
C1 Dy1 C5 30.8(2) . . ?
C1 Dy1 C2 31.6(2) . . ?
C1 Dy1 C29 150.6(2) . . ?
C1 Dy1 C4 51.0(2) . . ?
C1 Dy1 C30 162.0(2) . . ?
C1 Dy1 C3 51.2(2) . . ?
C1 Dy1 C31 156.7(2) . . ?
C1 Dy1 C27 145.8(2) . . ?
C1 Dy1 C28 142.9(2) . . ?
C1 Dy1 B1 80.5(3) . . ?
C30 Dy1 C5 146.5(2) . . ?
C30 Dy1 C4 139.7(3) . . ?
C30 Dy1 C3 146.6(2) . . ?
C30 Dy1 C31 31.3(3) . . ?
C30 Dy1 C27 51.7(2) . . ?
C30 Dy1 B1 81.7(3) . . ?
C3 Dy1 C5 50.8(2) . . ?
C3 Dy1 C4 30.7(2) . . ?
C3 Dy1 C31 119.3(2) . . ?
C3 Dy1 B1 129.7(3) . . ?
C31 Dy1 C5 125.9(2) . . ?
C31 Dy1 C4 108.9(2) . . ?
C31 Dy1 B1 99.2(4) . . ?
C27 Dy1 C5 126.9(2) . . ?
C27 Dy1 C4 98.4(2) . . ?
C27 Dy1 C3 95.0(2) . . ?
C27 Dy1 C31 31.3(2) . . ?
C27 Dy1 B1 130.0(3) . . ?
C28 Dy1 C5 148.7(2) . . ?
C28 Dy1 C29 31.6(2) . . ?
C28 Dy1 C4 118.2(2) . . ?
C28 Dy1 C30 52.1(2) . . ?
C28 Dy1 C3 100.2(2) . . ?
C28 Dy1 C31 52.4(2) . . ?
C28 Dy1 C27 31.7(2) . . ?
C28 Dy1 B1 129.6(3) . . ?
B1 Dy1 C4 109.9(3) . . ?
C10 Dy2 C8 51.2(3) . . ?
C10 Dy2 C39 159.7(5) . . ?
C10 Dy2 C38 165.8(5) . . ?
C10 Dy2 C37 147.3(5) . . ?
C10 Dy2 C40 141.3(4) . . ?
C10 Dy2 C41 136.1(4) . . ?
C10 Dy2 C39A 162.7(4) . . ?
C10 Dy2 C38A 160.6(4) . . ?
C10 Dy2 C37A 146.2(5) . . ?
C10 Dy2 C41A 140.4(4) . . ?
C9 Dy2 C10 31.1(2) . . ?
C9 Dy2 C8 31.5(2) . . ?
C9 Dy2 C39 138.8(6) . . ?
C9 Dy2 C38 160.9(4) . . ?
C9 Dy2 C37 131.4(6) . . ?
C9 Dy2 C40 111.1(4) . . ?
C9 Dy2 C41 108.0(4) . . ?
C9 Dy2 C39A 152.5(5) . . ?
C9 Dy2 C38A 155.2(5) . . ?
C9 Dy2 C37A 123.3(5) . . ?
C9 Dy2 C41A 109.3(4) . . ?
C8 Dy2 C38 142.6(6) . . ?
C8 Dy2 C39A 123.5(5) . . ?
C8 Dy2 C38A 147.1(4) . . ?
C8 Dy2 C37A 123.4(6) . . ?
C8 Dy2 C41A 97.1(4) . . ?
C39 Dy2 C8 111.6(6) . . ?
C39 Dy2 C38 31.5(5) . . ?
C39 Dy2 C37 51.3(5) . . ?
C39 Dy2 C40 31.6(5) . . ?
C39 Dy2 C41 52.0(5) . . ?
C37 Dy2 C8 135.4(6) . . ?
C37 Dy2 C38 32.3(5) . . ?
C37 Dy2 C41 30.3(5) . . ?
C40 Dy2 C8 92.0(4) . . ?
C40 Dy2 C38 52.8(5) . . ?
C40 Dy2 C37 51.1(6) . . ?
C40 Dy2 C41 31.6(5) . . ?
C41 Dy2 C8 105.1(5) . . ?
C41 Dy2 C38 52.9(5) . . ?
C38A Dy2 C39A 31.2(5) . . ?
C38A Dy2 C41A 51.7(5) . . ?
C37A Dy2 C39A 51.0(5) . . ?
C37A Dy2 C38A 32.2(5) . . ?
C37A Dy2 C41A 29.8(6) . . ?
C41A Dy2 C39A 50.7(6) . . ?
C6 C5 Dy1 120.7(4) . . ?
C4 C5 Dy1 77.2(4) . . ?
C4 C5 C6 126.6(7) . . ?
C1 C5 Dy1 70.7(4) . . ?
C1 C5 C6 125.3(7) . . ?
C1 C5 C4 108.0(6) . . ?
C48 C47 C52 114.3(8) . . ?
C48 C47 B2 118.6(8) . . ?
C52 C47 B2 126.3(7) . . ?
C66 C65 B2 119.0(7) . . ?
C70 C65 C66 111.4(8) . . ?
C70 C65 B2 129.1(8) . . ?
F16 C66 C65 118.3(7) . . ?
F16 C66 C67 116.1(7) . . ?
C67 C66 C65 125.6(8) . . ?
C5 C6 Dy2 121.8(5) . . ?
C7 C6 Dy2 75.2(4) . . ?
C7 C6 C5 128.5(6) . . ?
C10 C6 Dy2 70.7(4) . . ?
C10 C6 C5 124.0(7) . . ?
C10 C6 C7 107.4(7) . . ?
C6 C7 Dy2 74.4(4) . . ?
C6 C7 C19 130.0(6) . . ?
C6 C7 C8 106.7(7) . . ?
C19 C7 Dy2 126.8(5) . . ?
C8 C7 Dy2 71.1(4) . . ?
C8 C7 C19 122.6(7) . . ?
C7 C19 C22 112.5(7) . . ?
C7 C19 C22A 100.4(11) . . ?
C21 C19 C7 112.3(8) . . ?
C21 C19 C20 108.0(9) . . ?
C21 C19 C22 108.9(9) . . ?
C20 C19 C7 110.1(7) . . ?
C20 C19 C22 104.6(9) . . ?
C21A C19 C7 115.7(11) . . ?
C21A C19 C22A 107.8(15) . . ?
C20A C19 C7 109.8(11) . . ?
C20A C19 C21A 112.4(15) . . ?
C20A C19 C22A 109.9(17) . . ?
C1 C2 Dy1 73.6(4) . . ?
C1 C2 C3 105.7(7) . . ?
C1 C2 C13 125.6(8) . . ?
C3 C2 Dy1 76.3(4) . . ?
C3 C2 C13 128.6(7) . . ?
C13 C2 Dy1 112.8(5) . . ?
F11 C64 C59 120.5(11) . . ?
F11 C64 C63 117.8(12) . . ?
C63 C64 C59 121.7(13) . . ?
F1 C48 C47 120.1(7) . . ?
F1 C48 C49 116.1(9) . . ?
C47 C48 C49 123.8(11) . . ?
C30 C29 Dy1 74.9(4) . . ?
C30 C29 C33 126.7(7) . . ?
C28 C29 Dy1 74.0(4) . . ?
C28 C29 C30 106.9(7) . . ?
C28 C29 C33 126.2(7) . . ?
C33 C29 Dy1 120.7(5) . . ?
F7 C55 C54 120.8(7) . . ?
F7 C55 C56 121.3(7) . . ?
C54 C55 C56 117.9(7) . . ?
C58 C53 B2 126.8(7) . . ?
C54 C53 C58 113.1(7) . . ?
C54 C53 B2 119.6(7) . . ?
C5 C4 Dy1 72.0(4) . . ?
C5 C4 C16 129.1(7) . . ?
C3 C4 Dy1 70.9(4) . . ?
C3 C4 C5 105.6(7) . . ?
C3 C4 C16 124.0(7) . . ?
C16 C4 Dy1 131.8(5) . . ?
C5 C1 Dy1 78.4(4) . . ?
C5 C1 C2 110.5(7) . . ?
C2 C1 Dy1 74.7(4) . . ?
C6 C10 Dy2 78.3(4) . . ?
C9 C10 Dy2 74.4(5) . . ?
C9 C10 C6 110.0(7) . . ?
C29 C30 Dy1 73.1(4) . . ?
C29 C30 C34 125.0(8) . . ?
C31 C30 Dy1 75.4(5) . . ?
C31 C30 C29 109.1(6) . . ?
C31 C30 C34 125.5(8) . . ?
C34 C30 Dy1 123.5(6) . . ?
F5 C52 C47 122.0(7) . . ?
F5 C52 C51 115.1(10) . . ?
C51 C52 C47 122.9(10) . . ?
C2 C3 Dy1 72.2(4) . . ?
C2 C3 C4 110.2(6) . . ?
C4 C3 Dy1 78.5(4) . . ?
C10 C9 Dy2 74.5(4) . . ?
C10 C9 C8 106.7(6) . . ?
C10 C9 C23 124.3(7) . . ?
C8 C9 Dy2 75.1(4) . . ?
C8 C9 C23 129.1(7) . . ?
C23 C9 Dy2 116.0(5) . . ?
F17 C67 C66 121.6(8) . . ?
F17 C67 C68 119.7(8) . . ?
C66 C67 C68 118.6(9) . . ?
C30 C31 Dy1 73.3(5) . . ?
C30 C31 C27 107.0(7) . . ?
C30 C31 C35 125.0(7) . . ?
C27 C31 Dy1 73.7(5) . . ?
C27 C31 C35 127.5(8) . . ?
C35 C31 Dy1 124.6(6) . . ?
F10 C58 C53 121.4(6) . . ?
F10 C58 C57 114.8(7) . . ?
C57 C58 C53 123.8(7) . . ?
C31 C27 Dy1 75.0(5) . . ?
C31 C27 C28 108.2(7) . . ?
C31 C27 C36 125.4(7) . . ?
C28 C27 Dy1 72.6(4) . . ?
C28 C27 C36 125.6(7) . . ?
C36 C27 Dy1 126.3(5) . . ?
F6 C54 C55 115.3(7) . . ?
F6 C54 C53 119.2(7) . . ?
C53 C54 C55 125.5(7) . . ?
F9 C57 C58 120.0(7) . . ?
F9 C57 C56 120.0(7) . . ?
C56 C57 C58 119.9(8) . . ?
C7 C8 Dy2 77.9(4) . . ?
C9 C8 Dy2 73.3(4) . . ?
C9 C8 C7 109.2(7) . . ?
F15 C60 C61 113.0(12) . . ?
C59 C60 F15 121.9(11) . . ?
C59 C60 C61 125.0(13) . . ?
C64 C59 B2 119.0(12) . . ?
C60 C59 C64 115.5(11) . . ?
C60 C59 B2 124.6(12) . . ?
F8 C56 C55 120.3(7) . . ?
F8 C56 C57 119.9(8) . . ?
C57 C56 C55 119.7(7) . . ?
F20 C70 C65 118.6(8) . . ?
F20 C70 C69 117.4(8) . . ?
C69 C70 C65 123.8(9) . . ?
C29 C28 Dy1 74.4(4) . . ?
C29 C28 C27 108.7(6) . . ?
C29 C28 C32 125.0(7) . . ?
C27 C28 Dy1 75.7(4) . . ?
C27 C28 C32 125.7(7) . . ?
C32 C28 Dy1 122.9(5) . . ?
C9 C23 C25 107.9(6) . . ?
C9 C23 C26 111.1(7) . . ?
C24 C23 C9 110.3(8) . . ?
C24 C23 C25 109.8(9) . . ?
C24 C23 C26 109.0(8) . . ?
C26 C23 C25 108.7(8) . . ?
C4 C16 C17 113.2(6) . . ?
C4 C16 C15 109.7(7) . . ?
C4 C16 C18 109.8(7) . . ?
C15 C16 C17 107.7(7) . . ?
C18 C16 C17 107.5(7) . . ?
C18 C16 C15 108.7(7) . . ?
C70 C69 F19 117.2(9) . . ?
C68 C69 F19 120.2(9) . . ?
C68 C69 C70 122.6(8) . . ?
F18 C68 C67 121.3(9) . . ?
F18 C68 C69 120.8(9) . . ?
C69 C68 C67 117.9(9) . . ?
F13 C62 C61 119.2(12) . . ?
F13 C62 C63 121.9(13) . . ?
C63 C62 C61 118.9(10) . . ?
C47 B2 C59 118.1(8) . . ?
C47 B2 C59A 105.2(10) . . ?
C65 B2 C47 103.1(6) . . ?
C65 B2 C53 114.2(7) . . ?
C65 B2 C59 109.5(10) . . ?
C65 B2 C59A 120.5(18) . . ?
C53 B2 C47 113.4(7) . . ?
C53 B2 C59 99.0(10) . . ?
C53 B2 C59A 100.6(18) . . ?
C2 C13 C14 109.7(7) . . ?
C2 C13 C11 107.2(7) . . ?
C12 C13 C2 111.3(8) . . ?
C12 C13 C14 109.5(8) . . ?
C12 C13 C11 110.5(8) . . ?
C14 C13 C11 108.5(9) . . ?
F2 C49 C48 118.8(14) . . ?
F2 C49 C50 123.1(12) . . ?
C50 C49 C48 118.1(11) . . ?
F14 C61 C60 121.0(13) . . ?
F14 C61 C62 121.0(10) . . ?
C60 C61 C62 118.0(12) . . ?
F4 C51 C52 120.6(13) . . ?
F4 C51 C50 119.1(11) . . ?
C50 C51 C52 120.2(12) . . ?
F3 C50 C49 118.5(16) . . ?
C51 C50 F3 121.0(16) . . ?
C51 C50 C49 120.5(10) . . ?
Dy2 B1 Dy1 120.6(4) . . ?
F12 C63 C64 119.9(13) . . ?
F12 C63 C62 119.2(10) . . ?
C64 C63 C62 120.9(13) . . ?
C38 C39 Dy2 75.1(11) . . ?
C38 C39 C44 119(2) . . ?
C40 C39 Dy2 74.4(10) . . ?
C40 C39 C38 110.3(14) . . ?
C40 C39 C44 130(2) . . ?
C44 C39 Dy2 125.1(13) . . ?
C43 C38 Dy2 122.0(15) . . ?
C39 C38 Dy2 73.4(11) . . ?
C39 C38 C43 131(2) . . ?
C39 C38 C37 103.4(13) . . ?
C37 C38 Dy2 73.2(10) . . ?
C37 C38 C43 126(2) . . ?
C42 C37 Dy2 118.0(12) . . ?
C38 C37 Dy2 74.5(10) . . ?
C38 C37 C42 119(2) . . ?
C41 C37 Dy2 75.2(10) . . ?
C41 C37 C42 129(2) . . ?
C41 C37 C38 111.6(15) . . ?
C39 C40 Dy2 74.0(9) . . ?
C39 C40 C45 127(2) . . ?
C39 C40 C41 107.4(14) . . ?
C45 C40 Dy2 124.8(11) . . ?
C41 C40 Dy2 74.6(10) . . ?
C41 C40 C45 125(2) . . ?
C46 C41 Dy2 127.1(12) . . ?
C37 C41 Dy2 74.5(10) . . ?
C37 C41 C46 122(2) . . ?
C37 C41 C40 107.3(14) . . ?
C40 C41 Dy2 73.8(9) . . ?
C40 C41 C46 129(2) . . ?
C45A C40A Dy2 129.5(12) . . ?
C39A C40A Dy2 74.2(11) . . ?
C39A C40A C45A 123(2) . . ?
C39A C40A C41A 106.7(14) . . ?
C41A C40A Dy2 73.8(11) . . ?
C41A C40A C45A 129(2) . . ?
C44A C39A Dy2 120.3(13) . . ?
C40A C39A Dy2 75.3(12) . . ?
C40A C39A C44A 131(2) . . ?
C40A C39A C38A 110.1(15) . . ?
C38A C39A Dy2 73.2(11) . . ?
C38A C39A C44A 119.2(19) . . ?
C43A C38A Dy2 123.8(14) . . ?
C39A C38A Dy2 75.6(11) . . ?
C39A C38A C43A 127(2) . . ?
C39A C38A C37A 104.5(14) . . ?
C37A C38A Dy2 73.9(11) . . ?
C37A C38A C43A 127(2) . . ?
C42A C37A Dy2 118.9(15) . . ?
C38A C37A Dy2 73.9(11) . . ?
C38A C37A C42A 121(2) . . ?
C41A C37A Dy2 76.3(12) . . ?
C41A C37A C42A 129(2) . . ?
C41A C37A C38A 109.8(15) . . ?
C46A C41A Dy2 123.3(14) . . ?
C40A C41A Dy2 75.1(11) . . ?
C40A C41A C46A 125(2) . . ?
C37A C41A Dy2 73.9(12) . . ?
C37A C41A C46A 126(3) . . ?
C37A C41A C40A 108.8(14) . . ?
F11A C64A C63A 115.8(19) . . ?
F11A C64A C59A 119.3(18) . . ?
C63A C64A C59A 125(2) . . ?
F12A C63A C64A 120(2) . . ?
F12A C63A C62A 118(2) . . ?
C62A C63A C64A 122(2) . . ?
C63A C62A C61A 117.0(16) . . ?
F13A C62A C63A 123(2) . . ?
F13A C62A C61A 120(2) . . ?
F14A C61A C62A 117.3(17) . . ?
F14A C61A C60A 125(2) . . ?
C60A C61A C62A 118(2) . . ?
C59A C60A C61A 129(2) . . ?
F15A C60A C61A 111.0(19) . . ?
F15A C60A C59A 120.4(16) . . ?
C64A C59A B2 117.1(15) . . ?
C60A C59A B2 133.0(16) . . ?
C60A C59A C64A 109.9(16) . . ?

_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 1.309
_oxdiff_exptl_absorpt_empirical_full_min 0.706
