# Electronic Supplementary Material (ESI) for RSC Advances.
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2006636'
loop_
_audit_author_name
_audit_author_address
'Pulikanti Guruprasad Reddy'
;Department of Chemistry, Indian Institute of Science Education and Research Tirupati
India
;
_audit_update_record             
;
2020-05-29 deposited with the CCDC.	2020-10-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C25 H22'
_chemical_formula_weight         322.42

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        'C c'
_space_group_name_Hall           'C -2yc'

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

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

_cell_length_a                   12.834(9)
_cell_length_b                   18.991(10)
_cell_length_c                   8.136(6)
_cell_angle_alpha                90
_cell_angle_beta                 113.36(3)
_cell_angle_gamma                90
_cell_volume                     1820(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9960
_cell_measurement_theta_min      3.47
_cell_measurement_theta_max      36.35

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.176
_exptl_crystal_F_000             688
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.250
_exptl_absorpt_coefficient_mu    0.066
_shelx_estimated_absorpt_T_min   0.980
_shelx_estimated_absorpt_T_max   0.984
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71076
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            32565
_diffrn_reflns_av_unetI/netI     0.0524
_diffrn_reflns_av_R_equivalents  0.0383
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         3.915
_diffrn_reflns_theta_max         36.454
_diffrn_reflns_theta_full        25.243
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             8555
_reflns_number_gt                6454
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.927
_reflns_Friedel_fraction_max     0.924
_reflns_Friedel_fraction_full    0.990

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0930P)²+1.7858P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 2580 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   2.0(10)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         8555
_refine_ls_number_parameters     226
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.1106
_refine_ls_R_factor_gt           0.0786
_refine_ls_wR_factor_ref         0.2075
_refine_ls_wR_factor_gt          0.1879
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.0971(3) 0.8217(2) 0.5213(6) 0.0481(9) Uani 1 1 d . . . . .
H1A H 0.1000 0.8624 0.4531 0.072 Uiso 1 1 calc R U . . .
H1B H 0.0235 0.8004 0.4676 0.072 Uiso 1 1 calc R U . . .
H1C H 0.1111 0.8357 0.6416 0.072 Uiso 1 1 calc R U . . .
C2 C 0.1865(3) 0.76947(15) 0.5239(4) 0.0316(6) Uani 1 1 d . . . . .
C7 C 0.2588(3) 0.78405(14) 0.4380(4) 0.0318(6) Uani 1 1 d . . . . .
H7 H 0.2522 0.8266 0.3782 0.038 Uiso 1 1 calc R U . . .
C6 C 0.3407(2) 0.73572(13) 0.4406(4) 0.0268(5) Uani 1 1 d . . . . .
H6 H 0.3884 0.7466 0.3830 0.032 Uiso 1 1 calc R U . . .
C5 C 0.3528(2) 0.67097(12) 0.5281(3) 0.0223(4) Uani 1 1 d . . . . .
C8 C 0.4384(2) 0.62037(12) 0.5233(3) 0.0219(4) Uani 1 1 d . . . . .
C9 C 0.4356(2) 0.54850(12) 0.5141(3) 0.0212(4) Uani 1 1 d . . . . .
C13 C 0.3438(2) 0.49906(12) 0.4959(3) 0.0209(4) Uani 1 1 d . . . . .
C14 C 0.2299(2) 0.51577(13) 0.3976(4) 0.0251(5) Uani 1 1 d . . . . .
H14 H 0.2108 0.5592 0.3407 0.030 Uiso 1 1 calc R U . . .
C15 C 0.1447(2) 0.46811(15) 0.3840(4) 0.0297(5) Uani 1 1 d . . . . .
H15 H 0.0694 0.4803 0.3181 0.036 Uiso 1 1 calc R U . . .
C16 C 0.1695(3) 0.40262(15) 0.4666(4) 0.0308(6) Uani 1 1 d . . . . .
C17 C 0.0758(4) 0.35304(19) 0.4587(6) 0.0481(9) Uani 1 1 d . . . . .
H17A H 0.0035 0.3743 0.3904 0.072 Uiso 1 1 calc R U . . .
H17B H 0.0826 0.3098 0.4028 0.072 Uiso 1 1 calc R U . . .
H17C H 0.0815 0.3436 0.5779 0.072 Uiso 1 1 calc R U . . .
C4 C 0.2828(2) 0.65749(13) 0.6184(4) 0.0274(5) Uani 1 1 d . . . . .
H4 H 0.2914 0.6158 0.6823 0.033 Uiso 1 1 calc R U . . .
C3 C 0.2002(3) 0.70567(16) 0.6142(4) 0.0325(6) Uani 1 1 d . . . . .
H3 H 0.1531 0.6950 0.6731 0.039 Uiso 1 1 calc R U . . .
C19 C 0.3687(2) 0.43177(13) 0.5725(4) 0.0255(5) Uani 1 1 d . . . . .
H19 H 0.4439 0.4184 0.6343 0.031 Uiso 1 1 calc R U . . .
C18 C 0.2823(3) 0.38492(13) 0.5571(4) 0.0300(5) Uani 1 1 d . . . . .
H18 H 0.3008 0.3406 0.6090 0.036 Uiso 1 1 calc R U . . .
C10 C 0.5457(2) 0.52286(13) 0.5109(4) 0.0238(4) Uani 1 1 d . . . . .
H10 H 0.5682 0.4764 0.5094 0.029 Uiso 1 1 calc R U . . .
C11 C 0.6103(2) 0.58736(13) 0.5109(4) 0.0234(4) Uani 1 1 d . . . . .
C20 C 0.7198(2) 0.58865(15) 0.4952(4) 0.0274(5) Uani 1 1 d . . . . .
C25 C 0.7755(3) 0.52664(18) 0.4859(5) 0.0379(7) Uani 1 1 d . . . . .
H25 H 0.7442 0.4835 0.4960 0.045 Uiso 1 1 calc R U . . .
C24 C 0.8764(3) 0.5282(2) 0.4620(6) 0.0484(9) Uani 1 1 d . . . . .
H24 H 0.9118 0.4862 0.4556 0.058 Uiso 1 1 calc R U . . .
C23 C 0.9248(3) 0.5916(3) 0.4475(6) 0.0545(11) Uani 1 1 d . . . . .
H23 H 0.9924 0.5925 0.4307 0.065 Uiso 1 1 calc R U . . .
C22 C 0.8721(3) 0.6531(2) 0.4580(7) 0.0511(10) Uani 1 1 d . . . . .
H22 H 0.9043 0.6960 0.4484 0.061 Uiso 1 1 calc R U . . .
C21 C 0.7712(3) 0.65221(18) 0.4830(5) 0.0397(7) Uani 1 1 d . . . . .
H21 H 0.7373 0.6945 0.4917 0.048 Uiso 1 1 calc R U . . .
C12 C 0.5465(2) 0.64458(13) 0.5199(4) 0.0261(5) Uani 1 1 d . . . . .
H12A H 0.5317 0.6748 0.4169 0.031 Uiso 1 1 calc R U . . .
H12B H 0.5882 0.6716 0.6271 0.031 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.510(4) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.392(4) . ?
C2 C7 1.393(5) . ?
C7 C6 1.389(4) . ?
C7 H7 0.9300 . ?
C6 C5 1.398(3) . ?
C6 H6 0.9300 . ?
C5 C4 1.391(4) . ?
C5 C8 1.472(3) . ?
C8 C9 1.367(3) . ?
C8 C12 1.472(4) . ?
C9 C13 1.468(3) . ?
C9 C10 1.503(4) . ?
C13 C14 1.397(4) . ?
C13 C19 1.402(3) . ?
C14 C15 1.389(4) . ?
C14 H14 0.9300 . ?
C15 C16 1.389(4) . ?
C15 H15 0.9300 . ?
C16 C18 1.380(5) . ?
C16 C17 1.509(4) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C4 C3 1.391(4) . ?
C4 H4 0.9300 . ?
C3 H3 0.9300 . ?
C19 C18 1.388(4) . ?
C19 H19 0.9300 . ?
C18 H18 0.9300 . ?
C10 C11 1.479(4) . ?
C10 H10 0.9300 . ?
C11 C12 1.380(4) . ?
C11 C20 1.461(4) . ?
C20 C25 1.395(4) . ?
C20 C21 1.398(4) . ?
C25 C24 1.384(5) . ?
C25 H25 0.9300 . ?
C24 C23 1.382(7) . ?
C24 H24 0.9300 . ?
C23 C22 1.369(7) . ?
C23 H23 0.9300 . ?
C22 C21 1.388(5) . ?
C22 H22 0.9300 . ?
C21 H21 0.9300 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?

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
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 C7 117.9(3) . . ?
C3 C2 C1 121.1(3) . . ?
C7 C2 C1 121.0(3) . . ?
C6 C7 C2 120.8(3) . . ?
C6 C7 H7 119.6 . . ?
C2 C7 H7 119.6 . . ?
C7 C6 C5 121.3(3) . . ?
C7 C6 H6 119.4 . . ?
C5 C6 H6 119.4 . . ?
C4 C5 C6 117.8(2) . . ?
C4 C5 C8 122.6(2) . . ?
C6 C5 C8 119.6(2) . . ?
C9 C8 C12 108.4(2) . . ?
C9 C8 C5 130.5(2) . . ?
C12 C8 C5 121.0(2) . . ?
C8 C9 C13 130.3(2) . . ?
C8 C9 C10 108.7(2) . . ?
C13 C9 C10 120.9(2) . . ?
C14 C13 C19 117.6(2) . . ?
C14 C13 C9 121.9(2) . . ?
C19 C13 C9 120.4(2) . . ?
C15 C14 C13 120.6(2) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C14 C15 C16 121.5(3) . . ?
C14 C15 H15 119.2 . . ?
C16 C15 H15 119.2 . . ?
C18 C16 C15 117.8(2) . . ?
C18 C16 C17 121.4(3) . . ?
C15 C16 C17 120.8(3) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C5 C4 C3 120.8(2) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
C4 C3 C2 121.4(3) . . ?
C4 C3 H3 119.3 . . ?
C2 C3 H3 119.3 . . ?
C18 C19 C13 120.8(3) . . ?
C18 C19 H19 119.6 . . ?
C13 C19 H19 119.6 . . ?
C16 C18 C19 121.5(2) . . ?
C16 C18 H18 119.2 . . ?
C19 C18 H18 119.2 . . ?
C11 C10 C9 105.2(2) . . ?
C11 C10 H10 127.4 . . ?
C9 C10 H10 127.4 . . ?
C12 C11 C20 127.1(2) . . ?
C12 C11 C10 107.9(2) . . ?
C20 C11 C10 125.0(2) . . ?
C25 C20 C21 117.3(3) . . ?
C25 C20 C11 121.4(3) . . ?
C21 C20 C11 121.2(3) . . ?
C24 C25 C20 121.2(4) . . ?
C24 C25 H25 119.4 . . ?
C20 C25 H25 119.4 . . ?
C23 C24 C25 120.6(4) . . ?
C23 C24 H24 119.7 . . ?
C25 C24 H24 119.7 . . ?
C22 C23 C24 119.2(3) . . ?
C22 C23 H23 120.4 . . ?
C24 C23 H23 120.4 . . ?
C23 C22 C21 120.8(4) . . ?
C23 C22 H22 119.6 . . ?
C21 C22 H22 119.6 . . ?
C22 C21 C20 121.0(3) . . ?
C22 C21 H21 119.5 . . ?
C20 C21 H21 119.5 . . ?
C11 C12 C8 109.8(2) . . ?
C11 C12 H12A 109.7 . . ?
C8 C12 H12A 109.7 . . ?
C11 C12 H12B 109.7 . . ?
C8 C12 H12B 109.7 . . ?
H12A C12 H12B 108.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C3 C2 C7 C6 1.0(5) . . . . ?
C1 C2 C7 C6 -179.9(3) . . . . ?
C2 C7 C6 C5 0.4(4) . . . . ?
C7 C6 C5 C4 -2.3(4) . . . . ?
C7 C6 C5 C8 178.2(3) . . . . ?
C4 C5 C8 C9 36.7(4) . . . . ?
C6 C5 C8 C9 -143.9(3) . . . . ?
C4 C5 C8 C12 -146.2(3) . . . . ?
C6 C5 C8 C12 33.2(4) . . . . ?
C12 C8 C9 C13 -173.5(3) . . . . ?
C5 C8 C9 C13 3.9(5) . . . . ?
C12 C8 C9 C10 2.0(3) . . . . ?
C5 C8 C9 C10 179.4(3) . . . . ?
C8 C9 C13 C14 33.7(4) . . . . ?
C10 C9 C13 C14 -141.4(3) . . . . ?
C8 C9 C13 C19 -148.7(3) . . . . ?
C10 C9 C13 C19 36.2(3) . . . . ?
C19 C13 C14 C15 2.8(4) . . . . ?
C9 C13 C14 C15 -179.5(3) . . . . ?
C13 C14 C15 C16 -0.1(4) . . . . ?
C14 C15 C16 C18 -2.7(4) . . . . ?
C14 C15 C16 C17 176.7(3) . . . . ?
C6 C5 C4 C3 2.9(4) . . . . ?
C8 C5 C4 C3 -177.7(3) . . . . ?
C5 C4 C3 C2 -1.6(5) . . . . ?
C7 C2 C3 C4 -0.4(5) . . . . ?
C1 C2 C3 C4 -179.5(3) . . . . ?
C14 C13 C19 C18 -2.8(4) . . . . ?
C9 C13 C19 C18 179.5(3) . . . . ?
C15 C16 C18 C19 2.7(4) . . . . ?
C17 C16 C18 C19 -176.6(3) . . . . ?
C13 C19 C18 C16 0.0(4) . . . . ?
C8 C9 C10 C11 -2.5(3) . . . . ?
C13 C9 C10 C11 173.5(2) . . . . ?
C9 C10 C11 C12 2.0(3) . . . . ?
C9 C10 C11 C20 -175.3(2) . . . . ?
C12 C11 C20 C25 -179.5(3) . . . . ?
C10 C11 C20 C25 -2.7(4) . . . . ?
C12 C11 C20 C21 -1.6(4) . . . . ?
C10 C11 C20 C21 175.2(3) . . . . ?
C21 C20 C25 C24 -1.3(5) . . . . ?
C11 C20 C25 C24 176.7(3) . . . . ?
C20 C25 C24 C23 0.3(6) . . . . ?
C25 C24 C23 C22 0.4(7) . . . . ?
C24 C23 C22 C21 0.0(7) . . . . ?
C23 C22 C21 C20 -1.0(7) . . . . ?
C25 C20 C21 C22 1.6(5) . . . . ?
C11 C20 C21 C22 -176.4(4) . . . . ?
C20 C11 C12 C8 176.4(3) . . . . ?
C10 C11 C12 C8 -0.9(3) . . . . ?
C9 C8 C12 C11 -0.8(3) . . . . ?
C5 C8 C12 C11 -178.4(2) . . . . ?

_refine_diff_density_max         0.409
_refine_diff_density_min         -0.414
_refine_diff_density_rms         0.067

_shelxl_version_number           2014-3


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Hexane'
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_shelx_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2006639'
loop_
_audit_author_name
_audit_author_address
'Pulikanti Guruprasad Reddy'
;Department of Chemistry, Indian Institute of Science Education and Research Tirupati
India
;
_audit_update_record             
;
2020-05-29 deposited with the CCDC.	2020-10-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H24'
_chemical_formula_weight         336.45

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           45
_space_group_name_H-M_alt        'I b a 2'
_space_group_name_Hall           'I 2 -2c'

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

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

_cell_length_a                   22.059(2)
_cell_length_b                   22.2927(12)
_cell_length_c                   7.6696(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3771.5(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5713
_cell_measurement_theta_min      2.60
_cell_measurement_theta_max      25.09

_exptl_crystal_description       Rectangular
_exptl_crystal_colour            Yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.185
_exptl_crystal_F_000             1440
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.067
_shelx_estimated_absorpt_T_min   0.982
_shelx_estimated_absorpt_T_max   0.993
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            14443
_diffrn_reflns_av_unetI/netI     0.0260
_diffrn_reflns_av_R_equivalents  0.0280
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_theta_min         1.846
_diffrn_reflns_theta_max         26.245
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.892
_diffrn_reflns_point_group_measured_fraction_full 0.912
_reflns_number_total             3393
_reflns_number_gt                2980
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.659
_reflns_Friedel_fraction_max     0.772
_reflns_Friedel_fraction_full    0.810

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0558P)²+1.1470P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 1130 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -2.1(10)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         3393
_refine_ls_number_parameters     238
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0473
_refine_ls_R_factor_gt           0.0386
_refine_ls_wR_factor_ref         0.1011
_refine_ls_wR_factor_gt          0.0952
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.09223(10) 0.19381(10) 0.1129(3) 0.0317(5) Uani 1 1 d . . . . .
C2 C 0.05462(10) 0.24117(10) 0.0772(3) 0.0307(5) Uani 1 1 d . . . . .
C3 C -0.00924(11) 0.22002(10) 0.0920(3) 0.0339(6) Uani 1 1 d . . . . .
H3A H -0.0310 0.2438 0.1775 0.041 Uiso 1 1 calc R U . . .
H3B H -0.0297 0.2237 -0.0193 0.041 Uiso 1 1 calc R U . . .
C4 C -0.00718(11) 0.15837(10) 0.1452(3) 0.0327(6) Uani 1 1 d . . . . .
C5 C 0.05441(11) 0.14135(11) 0.1597(3) 0.0348(6) Uani 1 1 d . . . . .
H5 H 0.0686 0.1038 0.1928 0.042 Uiso 1 1 calc R U . . .
C6 C 0.15880(10) 0.18896(10) 0.1037(3) 0.0293(5) Uani 1 1 d . . . . .
C7 C 0.18964(11) 0.14870(11) 0.2112(4) 0.0336(6) Uani 1 1 d . . . . .
H7 H 0.1678 0.1253 0.2897 0.040 Uiso 1 1 calc R U . . .
C8 C 0.25183(11) 0.14286(11) 0.2036(4) 0.0352(6) Uani 1 1 d . . . . .
H8 H 0.2710 0.1160 0.2781 0.042 Uiso 1 1 calc R U . . .
C9 C 0.28643(10) 0.17604(10) 0.0873(4) 0.0318(5) Uani 1 1 d . . . . .
C10 C 0.25598(11) 0.21555(11) -0.0220(4) 0.0359(6) Uani 1 1 d . . . . .
H10 H 0.2779 0.2383 -0.1017 0.043 Uiso 1 1 calc R U . . .
C11 C 0.19340(11) 0.22162(11) -0.0145(3) 0.0350(6) Uani 1 1 d . . . . .
H11 H 0.1742 0.2481 -0.0902 0.042 Uiso 1 1 calc R U . . .
C12 C 0.35408(11) 0.16921(13) 0.0803(4) 0.0433(7) Uani 1 1 d . . . . .
H12A H 0.3641 0.1323 0.0227 0.065 Uiso 1 1 calc R U . . .
H12B H 0.3701 0.1688 0.1967 0.065 Uiso 1 1 calc R U . . .
H12C H 0.3713 0.2022 0.0169 0.065 Uiso 1 1 calc R U . . .
C13 C 0.06783(11) 0.30448(10) 0.0393(3) 0.0297(5) Uani 1 1 d . . . . .
C14 C 0.11817(11) 0.33416(11) 0.1095(4) 0.0336(6) Uani 1 1 d . . . . .
H14 H 0.1453 0.3130 0.1789 0.040 Uiso 1 1 calc R U . . .
C15 C 0.12829(12) 0.39417(11) 0.0777(4) 0.0398(6) Uani 1 1 d . . . . .
H15 H 0.1623 0.4124 0.1260 0.048 Uiso 1 1 calc R U . . .
C16 C 0.08943(13) 0.42808(11) -0.0236(4) 0.0426(7) Uani 1 1 d . . . . .
C17 C 0.03939(13) 0.39913(12) -0.0940(4) 0.0441(7) Uani 1 1 d . . . . .
H17 H 0.0127 0.4205 -0.1642 0.053 Uiso 1 1 calc R U . . .
C18 C 0.02852(11) 0.33876(11) -0.0616(4) 0.0367(6) Uani 1 1 d . . . . .
H18 H -0.0059 0.3208 -0.1084 0.044 Uiso 1 1 calc R U . . .
C19 C 0.10112(16) 0.49397(14) -0.0568(6) 0.0682(10) Uani 1 1 d . . . . .
H19A H 0.0729 0.5176 0.0093 0.102 Uiso 1 1 calc R U . . .
H19B H 0.0961 0.5024 -0.1787 0.102 Uiso 1 1 calc R U . . .
H19C H 0.1417 0.5038 -0.0220 0.102 Uiso 1 1 calc R U . . .
C20 C -0.06020(11) 0.12131(11) 0.1843(3) 0.0325(5) Uani 1 1 d . . . . .
C21 C -0.11872(12) 0.14080(12) 0.1466(4) 0.0409(7) Uani 1 1 d . . . . .
H21 H -0.1240 0.1771 0.0886 0.049 Uiso 1 1 calc R U . . .
C22 C -0.16917(12) 0.10758(12) 0.1933(4) 0.0414(6) Uani 1 1 d . . . . .
H22 H -0.2076 0.1221 0.1666 0.050 Uiso 1 1 calc R U . . .
C23 C -0.16351(12) 0.05316(12) 0.2790(4) 0.0377(6) Uani 1 1 d . . . . .
C24 C -0.10559(12) 0.03287(12) 0.3142(4) 0.0457(7) Uani 1 1 d . . . . .
H24 H -0.1004 -0.0038 0.3703 0.055 Uiso 1 1 calc R U . . .
C25 C -0.05508(12) 0.06614(11) 0.2673(4) 0.0445(7) Uani 1 1 d . . . . .
H25 H -0.0167 0.0511 0.2920 0.053 Uiso 1 1 calc R U . . .
C26 C -0.21873(13) 0.01917(13) 0.3378(4) 0.0497(8) Uani 1 1 d . . . . .
H26A H -0.2451 0.0456 0.4012 0.075 Uiso 1 1 calc R U . . .
H26B H -0.2066 -0.0134 0.4119 0.075 Uiso 1 1 calc R U . . .
H26C H -0.2397 0.0036 0.2379 0.075 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.370(3) . ?
C1 C6 1.474(3) . ?
C1 C5 1.481(3) . ?
C2 C13 1.470(3) . ?
C2 C3 1.490(3) . ?
C3 C4 1.434(3) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C5 1.415(3) . ?
C4 C20 1.463(3) . ?
C5 H5 0.9300 . ?
C6 C11 1.391(4) . ?
C6 C7 1.396(3) . ?
C7 C8 1.379(3) . ?
C7 H7 0.9300 . ?
C8 C9 1.387(4) . ?
C8 H8 0.9300 . ?
C9 C10 1.390(4) . ?
C9 C12 1.501(3) . ?
C10 C11 1.388(3) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C18 1.391(3) . ?
C13 C14 1.400(3) . ?
C14 C15 1.378(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.382(4) . ?
C15 H15 0.9300 . ?
C16 C17 1.388(4) . ?
C16 C19 1.513(4) . ?
C17 C18 1.389(4) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 C25 1.389(4) . ?
C20 C21 1.392(4) . ?
C21 C22 1.384(4) . ?
C21 H21 0.9300 . ?
C22 C23 1.386(4) . ?
C22 H22 0.9300 . ?
C23 C24 1.382(4) . ?
C23 C26 1.504(4) . ?
C24 C25 1.386(4) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?

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
C2 C1 C6 130.6(2) . . ?
C2 C1 C5 108.4(2) . . ?
C6 C1 C5 121.0(2) . . ?
C1 C2 C13 131.2(2) . . ?
C1 C2 C3 108.3(2) . . ?
C13 C2 C3 120.4(2) . . ?
C4 C3 C2 107.2(2) . . ?
C4 C3 H3A 110.3 . . ?
C2 C3 H3A 110.3 . . ?
C4 C3 H3B 110.3 . . ?
C2 C3 H3B 110.3 . . ?
H3A C3 H3B 108.5 . . ?
C5 C4 C3 108.0(2) . . ?
C5 C4 C20 126.9(2) . . ?
C3 C4 C20 125.0(2) . . ?
C4 C5 C1 108.1(2) . . ?
C4 C5 H5 126.0 . . ?
C1 C5 H5 126.0 . . ?
C11 C6 C7 117.0(2) . . ?
C11 C6 C1 122.6(2) . . ?
C7 C6 C1 120.3(2) . . ?
C8 C7 C6 121.4(2) . . ?
C8 C7 H7 119.3 . . ?
C6 C7 H7 119.3 . . ?
C7 C8 C9 121.6(2) . . ?
C7 C8 H8 119.2 . . ?
C9 C8 H8 119.2 . . ?
C8 C9 C10 117.4(2) . . ?
C8 C9 C12 121.1(2) . . ?
C10 C9 C12 121.5(2) . . ?
C11 C10 C9 121.2(2) . . ?
C11 C10 H10 119.4 . . ?
C9 C10 H10 119.4 . . ?
C10 C11 C6 121.4(2) . . ?
C10 C11 H11 119.3 . . ?
C6 C11 H11 119.3 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C18 C13 C14 116.6(2) . . ?
C18 C13 C2 120.9(2) . . ?
C14 C13 C2 122.3(2) . . ?
C15 C14 C13 121.3(2) . . ?
C15 C14 H14 119.4 . . ?
C13 C14 H14 119.4 . . ?
C14 C15 C16 122.0(3) . . ?
C14 C15 H15 119.0 . . ?
C16 C15 H15 119.0 . . ?
C15 C16 C17 117.2(2) . . ?
C15 C16 C19 121.3(3) . . ?
C17 C16 C19 121.4(3) . . ?
C16 C17 C18 121.2(3) . . ?
C16 C17 H17 119.4 . . ?
C18 C17 H17 119.4 . . ?
C17 C18 C13 121.6(2) . . ?
C17 C18 H18 119.2 . . ?
C13 C18 H18 119.2 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C25 C20 C21 116.5(2) . . ?
C25 C20 C4 121.9(2) . . ?
C21 C20 C4 121.5(2) . . ?
C22 C21 C20 121.7(2) . . ?
C22 C21 H21 119.2 . . ?
C20 C21 H21 119.2 . . ?
C21 C22 C23 121.3(3) . . ?
C21 C22 H22 119.4 . . ?
C23 C22 H22 119.4 . . ?
C24 C23 C22 117.5(2) . . ?
C24 C23 C26 121.7(3) . . ?
C22 C23 C26 120.7(3) . . ?
C23 C24 C25 121.2(3) . . ?
C23 C24 H24 119.4 . . ?
C25 C24 H24 119.4 . . ?
C24 C25 C20 121.8(3) . . ?
C24 C25 H25 119.1 . . ?
C20 C25 H25 119.1 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C13 -8.6(4) . . . . ?
C5 C1 C2 C13 174.1(2) . . . . ?
C6 C1 C2 C3 174.8(2) . . . . ?
C5 C1 C2 C3 -2.5(3) . . . . ?
C1 C2 C3 C4 2.3(3) . . . . ?
C13 C2 C3 C4 -174.7(2) . . . . ?
C2 C3 C4 C5 -1.1(3) . . . . ?
C2 C3 C4 C20 176.5(2) . . . . ?
C3 C4 C5 C1 -0.4(3) . . . . ?
C20 C4 C5 C1 -177.9(2) . . . . ?
C2 C1 C5 C4 1.9(3) . . . . ?
C6 C1 C5 C4 -175.7(2) . . . . ?
C2 C1 C6 C11 -30.5(4) . . . . ?
C5 C1 C6 C11 146.6(2) . . . . ?
C2 C1 C6 C7 152.2(3) . . . . ?
C5 C1 C6 C7 -30.7(3) . . . . ?
C11 C6 C7 C8 1.7(4) . . . . ?
C1 C6 C7 C8 179.2(2) . . . . ?
C6 C7 C8 C9 -0.9(4) . . . . ?
C7 C8 C9 C10 -0.1(4) . . . . ?
C7 C8 C9 C12 -180.0(3) . . . . ?
C8 C9 C10 C11 0.2(4) . . . . ?
C12 C9 C10 C11 -180.0(2) . . . . ?
C9 C10 C11 C6 0.7(4) . . . . ?
C7 C6 C11 C10 -1.7(4) . . . . ?
C1 C6 C11 C10 -179.1(2) . . . . ?
C1 C2 C13 C18 152.7(3) . . . . ?
C3 C2 C13 C18 -31.1(4) . . . . ?
C1 C2 C13 C14 -30.9(4) . . . . ?
C3 C2 C13 C14 145.3(2) . . . . ?
C18 C13 C14 C15 -0.8(4) . . . . ?
C2 C13 C14 C15 -177.3(2) . . . . ?
C13 C14 C15 C16 0.3(4) . . . . ?
C14 C15 C16 C17 -0.3(4) . . . . ?
C14 C15 C16 C19 179.8(3) . . . . ?
C15 C16 C17 C18 0.9(4) . . . . ?
C19 C16 C17 C18 -179.3(3) . . . . ?
C16 C17 C18 C13 -1.5(4) . . . . ?
C14 C13 C18 C17 1.3(4) . . . . ?
C2 C13 C18 C17 177.9(2) . . . . ?
C5 C4 C20 C25 10.0(4) . . . . ?
C3 C4 C20 C25 -167.1(3) . . . . ?
C5 C4 C20 C21 -172.8(2) . . . . ?
C3 C4 C20 C21 10.1(4) . . . . ?
C25 C20 C21 C22 1.5(4) . . . . ?
C4 C20 C21 C22 -175.9(3) . . . . ?
C20 C21 C22 C23 -0.3(4) . . . . ?
C21 C22 C23 C24 -0.8(4) . . . . ?
C21 C22 C23 C26 176.6(3) . . . . ?
C22 C23 C24 C25 0.8(4) . . . . ?
C26 C23 C24 C25 -176.6(3) . . . . ?
C23 C24 C25 C20 0.5(5) . . . . ?
C21 C20 C25 C24 -1.6(4) . . . . ?
C4 C20 C25 C24 175.8(3) . . . . ?

_refine_diff_density_max         0.219
_refine_diff_density_min         -0.208
_refine_diff_density_rms         0.035

_shelxl_version_number           2014-3


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Hexane'
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_shelx_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2006659'
loop_
_audit_author_name
_audit_author_address
'Pulikanti Guruprasad Reddy'
;Department of Chemistry, Indian Institute of Science Education and Research Tirupati
India
;
_audit_update_record             
;
2020-05-29 deposited with the CCDC.	2020-10-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C125 H116 Cl4 Dy2 K2'
_chemical_formula_sum            'C125 H116 Cl4 Dy2 K2'
_chemical_formula_weight         2163.17

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   17.1088(7)
_cell_length_b                   17.7780(8)
_cell_length_c                   20.6046(9)
_cell_angle_alpha                69.756(2)
_cell_angle_beta                 79.617(2)
_cell_angle_gamma                62.673(2)
_cell_volume                     5222.1(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9979
_cell_measurement_theta_min      2.31
_cell_measurement_theta_max      25.59
_exptl_crystal_description       Rectangular
_exptl_crystal_colour            Yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.376
_exptl_crystal_F_000             2208
_exptl_transmission_factor_min   0.5622
_exptl_transmission_factor_max   0.7452
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    1.652
_shelx_estimated_absorpt_T_min   0.790
_shelx_estimated_absorpt_T_max   0.852
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      200
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            74623
_diffrn_reflns_av_unetI/netI     0.0584
_diffrn_reflns_av_R_equivalents  0.0521
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.683
_diffrn_reflns_theta_max         25.696
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             19755
_reflns_number_gt                14686
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0372P)²+7.2312P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         19755
_refine_ls_number_parameters     1198
_refine_ls_number_restraints     195
_refine_ls_R_factor_all          0.0633
_refine_ls_R_factor_gt           0.0391
_refine_ls_wR_factor_ref         0.0946
_refine_ls_wR_factor_gt          0.0839
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4007(3) 0.5856(3) 0.9019(2) 0.0228(9) Uani 1 1 d . . . . .
C2 C 0.3118(3) 0.6355(3) 0.8849(2) 0.0259(10) Uani 1 1 d . . . . .
H2 H 0.2866 0.6968 0.8759 0.031 Uiso 1 1 calc R U . . .
C3 C 0.2606(3) 0.5951(3) 0.8812(2) 0.0298(10) Uani 1 1 d . . . . .
H3 H 0.2012 0.6295 0.8714 0.036 Uiso 1 1 calc R U . . .
C4 C 0.2966(3) 0.5040(3) 0.8918(2) 0.0286(10) Uani 1 1 d . . . . .
C5 C 0.3853(3) 0.4560(3) 0.9054(2) 0.0264(10) Uani 1 1 d . . . . .
H5 H 0.4116 0.3954 0.9107 0.032 Uiso 1 1 calc R U . . .
C6 C 0.4365(3) 0.4950(3) 0.9113(2) 0.0258(10) Uani 1 1 d . . . . .
H6 H 0.4957 0.4601 0.9218 0.031 Uiso 1 1 calc R U . . .
C7 C 0.2413(3) 0.4592(3) 0.8899(3) 0.0430(13) Uani 1 1 d . . . . .
H7A H 0.1817 0.5028 0.8797 0.064 Uiso 1 1 calc R U . . .
H7B H 0.2642 0.4299 0.8547 0.064 Uiso 1 1 calc R U . . .
H7C H 0.2425 0.4163 0.9340 0.064 Uiso 1 1 calc R U . . .
C8 C 0.6159(3) 0.5297(3) 0.8888(2) 0.0275(10) Uani 1 1 d . . . . .
C9 C 0.6175(3) 0.5063(3) 0.8306(2) 0.0350(11) Uani 1 1 d . . . . .
H9 H 0.5704 0.5400 0.8009 0.042 Uiso 1 1 calc R U . . .
C10 C 0.6870(4) 0.4346(4) 0.8163(3) 0.0533(15) Uani 1 1 d . . . . .
H10 H 0.6862 0.4205 0.7770 0.064 Uiso 1 1 calc R U . . .
C11 C 0.7587(4) 0.3824(4) 0.8593(3) 0.0645(18) Uani 1 1 d . . . . .
C12 C 0.7577(4) 0.4059(4) 0.9167(3) 0.0600(17) Uani 1 1 d . . . . .
H12 H 0.8047 0.3720 0.9465 0.072 Uiso 1 1 calc R U . . .
C13 C 0.6879(3) 0.4793(3) 0.9306(2) 0.0378(12) Uani 1 1 d . . . . .
H13 H 0.6896 0.4949 0.9688 0.045 Uiso 1 1 calc R U . . .
C14 C 0.8366(5) 0.3021(6) 0.8435(5) 0.135(4) Uani 1 1 d . . . . .
H14A H 0.8260 0.2958 0.8019 0.202 Uiso 1 1 calc R U . . .
H14B H 0.8892 0.3107 0.8374 0.202 Uiso 1 1 calc R U . . .
H14C H 0.8434 0.2496 0.8812 0.202 Uiso 1 1 calc R U . . .
C15 C 0.4601(3) 0.7857(3) 0.9926(2) 0.0273(10) Uani 1 1 d . . . . .
C16 C 0.3767(3) 0.8406(3) 1.0103(2) 0.0302(11) Uani 1 1 d . . . . .
H16 H 0.3283 0.8368 0.9998 0.036 Uiso 1 1 calc R U . . .
C17 C 0.3636(3) 0.9015(3) 1.0435(2) 0.0353(12) Uani 1 1 d . . . . .
H17 H 0.3067 0.9379 1.0548 0.042 Uiso 1 1 calc R U . . .
C18 C 0.4345(4) 0.9090(3) 1.0601(2) 0.0378(12) Uani 1 1 d . . . . .
C19 C 0.5173(4) 0.8545(3) 1.0427(3) 0.0418(13) Uani 1 1 d . . . . .
H19 H 0.5655 0.8582 1.0537 0.050 Uiso 1 1 calc R U . . .
C20 C 0.5311(3) 0.7942(3) 1.0093(2) 0.0335(11) Uani 1 1 d . . . . .
H20 H 0.5882 0.7586 0.9976 0.040 Uiso 1 1 calc R U . . .
C21 C 0.4194(4) 0.9743(4) 1.0984(3) 0.0596(17) Uani 1 1 d . . . . .
H21A H 0.3575 1.0065 1.1060 0.089 Uiso 1 1 calc R U . . .
H21B H 0.4479 0.9423 1.1422 0.089 Uiso 1 1 calc R U . . .
H21C H 0.4436 1.0151 1.0713 0.089 Uiso 1 1 calc R U . . .
C22 C 0.4503(3) 0.6287(3) 0.9149(2) 0.0234(10) Uani 1 1 d . . . . .
C23 C 0.5422(3) 0.6052(3) 0.9084(2) 0.0238(10) Uani 1 1 d . . . . .
C24 C 0.5558(3) 0.6625(3) 0.9342(2) 0.0251(10) Uani 1 1 d . . . . .
H24 H 0.6136 0.6554 0.9430 0.030 Uiso 1 1 calc R U . . .
C25 C 0.4744(3) 0.7196(3) 0.9581(2) 0.0245(10) Uani 1 1 d . . . . .
C26 C 0.4099(3) 0.6982(3) 0.9452(2) 0.0236(9) Uani 1 1 d . . . . .
H26 H 0.3488 0.7201 0.9627 0.028 Uiso 1 1 calc R U . . .
C27 C 0.4355(3) 1.0053(3) 0.7988(2) 0.0295(11) Uani 1 1 d . . . . .
C28 C 0.3794(3) 1.0087(3) 0.8560(2) 0.0373(12) Uani 1 1 d . . . . .
H28 H 0.3767 0.9567 0.8855 0.045 Uiso 1 1 calc R U . . .
C29 C 0.3269(4) 1.0887(3) 0.8702(3) 0.0447(13) Uani 1 1 d . . . . .
H29 H 0.2904 1.0891 0.9095 0.054 Uiso 1 1 calc R U . . .
C30 C 0.3278(3) 1.1676(3) 0.8270(3) 0.0393(12) Uani 1 1 d . . . . .
C31 C 0.3859(4) 1.1633(3) 0.7709(3) 0.0449(14) Uani 1 1 d . . . . .
H31 H 0.3899 1.2150 0.7420 0.054 Uiso 1 1 calc R U . . .
C32 C 0.4381(3) 1.0843(3) 0.7569(3) 0.0376(12) Uani 1 1 d . . . . .
H32 H 0.4761 1.0838 0.7184 0.045 Uiso 1 1 calc R U . . .
C33 C 0.2674(4) 1.2543(3) 0.8417(3) 0.0578(16) Uani 1 1 d . . . . .
H33A H 0.2323 1.2434 0.8826 0.087 Uiso 1 1 calc R U . . .
H33B H 0.3019 1.2808 0.8485 0.087 Uiso 1 1 calc R U . . .
H33C H 0.2296 1.2939 0.8032 0.087 Uiso 1 1 calc R U . . .
C34 C 0.4287(3) 0.9586(3) 0.6606(2) 0.0262(10) Uani 1 1 d . . . . .
C35 C 0.4512(3) 0.9439(3) 0.5961(2) 0.0325(11) Uani 1 1 d . . . . .
H35 H 0.5057 0.8993 0.5897 0.039 Uiso 1 1 calc R U . . .
C36 C 0.3945(3) 0.9942(3) 0.5416(2) 0.0356(12) Uani 1 1 d . . . . .
H36 H 0.4112 0.9817 0.4996 0.043 Uiso 1 1 calc R U . . .
C37 C 0.3135(3) 1.0623(3) 0.5478(2) 0.0337(11) Uani 1 1 d . . . . .
C38 C 0.2904(3) 1.0765(3) 0.6124(2) 0.0327(11) Uani 1 1 d . . . . .
H38 H 0.2360 1.1216 0.6184 0.039 Uiso 1 1 calc R U . . .
C39 C 0.3460(3) 1.0255(3) 0.6678(2) 0.0284(10) Uani 1 1 d . . . . .
H39 H 0.3279 1.0361 0.7104 0.034 Uiso 1 1 calc R U . . .
C40 C 0.2532(4) 1.1209(3) 0.4876(3) 0.0458(13) Uani 1 1 d . . . . .
H40A H 0.2005 1.1640 0.5024 0.069 Uiso 1 1 calc R U . . .
H40B H 0.2823 1.1508 0.4514 0.069 Uiso 1 1 calc R U . . .
H40C H 0.2384 1.0853 0.4706 0.069 Uiso 1 1 calc R U . . .
C41 C 0.6957(3) 0.7099(3) 0.7990(3) 0.0400(11) Uani 1 1 d . U . . .
C42 C 0.7260(4) 0.6454(3) 0.7654(3) 0.0501(13) Uani 1 1 d . U . . .
H42 H 0.6924 0.6526 0.7311 0.060 Uiso 1 1 calc R U . . .
C43 C 0.8048(4) 0.5713(4) 0.7818(3) 0.0690(17) Uani 1 1 d . U . . .
H43 H 0.8231 0.5293 0.7586 0.083 Uiso 1 1 calc R U . . .
C44 C 0.8573(4) 0.5582(5) 0.8322(4) 0.0768(18) Uani 1 1 d . U . . .
C45 C 0.8266(4) 0.6213(5) 0.8661(4) 0.0769(19) Uani 1 1 d . U . . .
H45 H 0.8601 0.6132 0.9010 0.092 Uiso 1 1 calc R U . . .
C46 C 0.7471(3) 0.6971(4) 0.8501(3) 0.0595(15) Uani 1 1 d . U . . .
H46 H 0.7288 0.7389 0.8736 0.071 Uiso 1 1 calc R U . . .
C47 C 0.9438(5) 0.4757(6) 0.8517(5) 0.125(3) Uani 1 1 d . U . . .
H47A H 0.9547 0.4394 0.8228 0.187 Uiso 1 1 calc R U . . .
H47B H 0.9909 0.4930 0.8452 0.187 Uiso 1 1 calc R U . . .
H47C H 0.9405 0.4427 0.8992 0.187 Uiso 1 1 calc R U . . .
C48 C 0.4919(3) 0.9034(3) 0.7184(2) 0.0259(10) Uani 1 1 d . . . . .
C49 C 0.5657(3) 0.8225(3) 0.7198(2) 0.0300(11) Uani 1 1 d . . . . .
H49 H 0.5880 0.7990 0.6803 0.036 Uiso 1 1 calc R U . . .
C50 C 0.6121(3) 0.7904(3) 0.7808(2) 0.0291(11) Uani 1 1 d . . . . .
C51 C 0.5644(3) 0.8515(3) 0.8183(2) 0.0325(11) Uani 1 1 d . . . . .
H51 H 0.5858 0.8513 0.8594 0.039 Uiso 1 1 calc R U . . .
C52 C 0.4917(3) 0.9225(3) 0.7803(2) 0.0291(11) Uani 1 1 d . . . . .
C53 C 0.3853(3) 0.4688(3) 0.6387(2) 0.0258(10) Uani 1 1 d . . . . .
C54 C 0.4706(3) 0.4608(3) 0.6328(2) 0.0323(11) Uani 1 1 d . . . . .
H54 H 0.4904 0.4891 0.5908 0.039 Uiso 1 1 calc R U . . .
C55 C 0.5269(3) 0.4120(3) 0.6876(2) 0.0340(11) Uani 1 1 d . . . . .
H55 H 0.5832 0.4092 0.6822 0.041 Uiso 1 1 calc R U . . .
C56 C 0.5012(3) 0.3670(3) 0.7505(2) 0.0319(11) Uani 1 1 d . . . . .
C57 C 0.4168(3) 0.3738(3) 0.7567(2) 0.0337(11) Uani 1 1 d . . . . .
H57 H 0.3981 0.3439 0.7985 0.040 Uiso 1 1 calc R U . . .
C58 C 0.3589(3) 0.4242(3) 0.7023(2) 0.0293(10) Uani 1 1 d . . . . .
H58 H 0.3021 0.4281 0.7083 0.035 Uiso 1 1 calc R U . . .
C59 C 0.5636(3) 0.3102(3) 0.8102(3) 0.0450(13) Uani 1 1 d . . . . .
H59A H 0.6191 0.3131 0.7969 0.068 Uiso 1 1 calc R U . . .
H59B H 0.5390 0.3318 0.8495 0.068 Uiso 1 1 calc R U . . .
H59C H 0.5722 0.2498 0.8222 0.068 Uiso 1 1 calc R U . . .
C60 C 0.2622(3) 0.6875(3) 0.4037(2) 0.0317(11) Uani 1 1 d . . . . .
C61 C 0.3078(3) 0.7398(3) 0.3845(2) 0.0368(12) Uani 1 1 d . . . . .
H61 H 0.3478 0.7306 0.4147 0.044 Uiso 1 1 calc R U . . .
C62 C 0.2951(4) 0.8054(3) 0.3214(3) 0.0488(14) Uani 1 1 d . . . . .
H62 H 0.3273 0.8387 0.3101 0.059 Uiso 1 1 calc R U . . .
C63 C 0.2365(4) 0.8223(4) 0.2755(3) 0.0572(17) Uani 1 1 d . . . . .
C64 C 0.1907(4) 0.7701(4) 0.2935(3) 0.0612(18) Uani 1 1 d . . . . .
H64 H 0.1499 0.7809 0.2632 0.073 Uiso 1 1 calc R U . . .
C65 C 0.2044(3) 0.7027(4) 0.3554(3) 0.0441(13) Uani 1 1 d . . . . .
H65 H 0.1749 0.6670 0.3651 0.053 Uiso 1 1 calc R U . . .
C66 C 0.2186(5) 0.8974(4) 0.2078(3) 0.092(3) Uani 1 1 d . . . . .
H66A H 0.1757 0.8987 0.1826 0.138 Uiso 1 1 calc R U . . .
H66B H 0.1967 0.9529 0.2174 0.138 Uiso 1 1 calc R U . . .
H66C H 0.2722 0.8880 0.1806 0.138 Uiso 1 1 calc R U . . .
C67 C 0.2067(3) 0.4586(3) 0.6113(2) 0.0288(10) Uani 1 1 d . . . . .
C68 C 0.2524(3) 0.3685(3) 0.6207(3) 0.0395(12) Uani 1 1 d . . . . .
H68 H 0.3096 0.3460 0.6030 0.047 Uiso 1 1 calc R U . . .
C69 C 0.2144(4) 0.3111(3) 0.6560(3) 0.0487(15) Uani 1 1 d . . . . .
H69 H 0.2472 0.2506 0.6624 0.058 Uiso 1 1 calc R U . . .
C70 C 0.1297(4) 0.3413(3) 0.6818(3) 0.0483(14) Uani 1 1 d . . . . .
C71 C 0.0817(4) 0.4321(4) 0.6719(3) 0.0519(15) Uani 1 1 d . . . . .
H71 H 0.0240 0.4545 0.6889 0.062 Uiso 1 1 calc R U . . .
C72 C 0.1205(3) 0.4897(3) 0.6361(3) 0.0425(13) Uani 1 1 d . . . . .
H72 H 0.0876 0.5504 0.6287 0.051 Uiso 1 1 calc R U . . .
C73 C 0.0879(5) 0.2788(4) 0.7205(4) 0.081(2) Uani 1 1 d . . . . .
H73A H 0.0287 0.3123 0.7344 0.121 Uiso 1 1 calc R U . . .
H73B H 0.0873 0.2476 0.6909 0.121 Uiso 1 1 calc R U . . .
H73C H 0.1214 0.2369 0.7608 0.121 Uiso 1 1 calc R U . . .
C74 C 0.2462(3) 0.5201(3) 0.5691(2) 0.0249(10) Uani 1 1 d . . . . .
C75 C 0.3256(3) 0.5218(3) 0.5788(2) 0.0252(10) Uani 1 1 d . . . . .
C76 C 0.3404(3) 0.5839(3) 0.5185(2) 0.0252(10) Uani 1 1 d . . . . .
H76 H 0.3955 0.5905 0.5070 0.030 Uiso 1 1 calc R U . . .
C77 C 0.2724(3) 0.6204(3) 0.4721(2) 0.0265(10) Uani 1 1 d . . . . .
C78 C 0.2131(3) 0.5825(3) 0.5046(2) 0.0272(10) Uani 1 1 d . . . . .
H78 H 0.1643 0.5885 0.4815 0.033 Uiso 1 1 calc R U . . .
C79 C 0.1640(3) 0.9117(3) 0.4463(2) 0.0229(9) Uani 1 1 d . . . . .
C80 C 0.1261(3) 0.9665(3) 0.3824(2) 0.0287(10) Uani 1 1 d . . . . .
H80 H 0.0741 0.9690 0.3720 0.034 Uiso 1 1 calc R U . . .
C81 C 0.1643(3) 1.0174(3) 0.3340(2) 0.0386(12) Uani 1 1 d . . . . .
H81 H 0.1368 1.0543 0.2922 0.046 Uiso 1 1 calc R U . . .
C82 C 0.2426(3) 1.0143(3) 0.3467(2) 0.0369(12) Uani 1 1 d . . . . .
C83 C 0.2813(3) 0.9592(3) 0.4095(2) 0.0320(11) Uani 1 1 d . . . . .
H83 H 0.3342 0.9555 0.4191 0.038 Uiso 1 1 calc R U . . .
C84 C 0.2422(3) 0.9089(3) 0.4590(2) 0.0273(10) Uani 1 1 d . . . . .
H84 H 0.2693 0.8730 0.5011 0.033 Uiso 1 1 calc R U . . .
C85 C 0.2853(4) 1.0693(4) 0.2934(3) 0.0628(18) Uani 1 1 d . . . . .
H85A H 0.2497 1.1034 0.2532 0.094 Uiso 1 1 calc R U . . .
H85B H 0.2904 1.1086 0.3129 0.094 Uiso 1 1 calc R U . . .
H85C H 0.3428 1.0305 0.2806 0.094 Uiso 1 1 calc R U . . .
C86 C 0.1012(3) 0.9072(3) 0.6088(2) 0.0223(9) Uani 1 1 d . . . . .
C87 C 0.0995(3) 0.9916(3) 0.5794(2) 0.0259(10) Uani 1 1 d . . . . .
H87 H 0.1002 1.0157 0.5315 0.031 Uiso 1 1 calc R U . . .
C88 C 0.0968(3) 1.0394(3) 0.6208(2) 0.0296(11) Uani 1 1 d . . . . .
H88 H 0.0958 1.0954 0.6000 0.036 Uiso 1 1 calc R U . . .
C89 C 0.0957(3) 1.0064(3) 0.6926(3) 0.0333(11) Uani 1 1 d . . . . .
C90 C 0.1001(3) 0.9216(3) 0.7221(2) 0.0335(11) Uani 1 1 d . . . . .
H90 H 0.1007 0.8973 0.7700 0.040 Uiso 1 1 calc R U . . .
C91 C 0.1037(3) 0.8724(3) 0.6806(2) 0.0280(10) Uani 1 1 d . . . . .
H91 H 0.1079 0.8152 0.7014 0.034 Uiso 1 1 calc R U . . .
C92 C 0.0896(4) 1.0606(3) 0.7379(3) 0.0515(15) Uani 1 1 d . . . . .
H92A H 0.0871 1.1171 0.7091 0.077 Uiso 1 1 calc R U . . .
H92B H 0.0374 1.0693 0.7668 0.077 Uiso 1 1 calc R U . . .
H92C H 0.1403 1.0295 0.7663 0.077 Uiso 1 1 calc R U . . .
C93 C -0.0138(3) 0.7310(3) 0.5380(2) 0.0239(10) Uani 1 1 d . . . . .
C94 C -0.0158(3) 0.7069(3) 0.4808(2) 0.0309(11) Uani 1 1 d . . . . .
H94 H 0.0116 0.7262 0.4395 0.037 Uiso 1 1 calc R U . . .
C95 C -0.0579(3) 0.6546(3) 0.4844(3) 0.0357(12) Uani 1 1 d . . . . .
H95 H -0.0573 0.6389 0.4456 0.043 Uiso 1 1 calc R U . . .
C96 C -0.1005(3) 0.6254(3) 0.5444(3) 0.0374(12) Uani 1 1 d . . . . .
C97 C -0.1019(3) 0.6519(3) 0.6002(3) 0.0396(12) Uani 1 1 d . . . . .
H97 H -0.1319 0.6348 0.6407 0.048 Uiso 1 1 calc R U . . .
C98 C -0.0597(3) 0.7035(3) 0.5974(2) 0.0292(10) Uani 1 1 d . . . . .
H98 H -0.0620 0.7201 0.6361 0.035 Uiso 1 1 calc R U . . .
C99 C -0.1423(4) 0.5652(4) 0.5483(3) 0.0618(17) Uani 1 1 d . . . . .
H99A H -0.1346 0.5543 0.5046 0.093 Uiso 1 1 calc R U . . .
H99B H -0.1150 0.5100 0.5837 0.093 Uiso 1 1 calc R U . . .
H99C H -0.2040 0.5932 0.5591 0.093 Uiso 1 1 calc R U . . .
C100 C 0.0347(3) 0.7818(3) 0.5362(2) 0.0216(9) Uani 1 1 d . . . . .
C101 C 0.0841(3) 0.8124(3) 0.4792(2) 0.0221(9) Uani 1 1 d . . . . .
H101 H 0.0844 0.8101 0.4323 0.027 Uiso 1 1 calc R U . . .
C102 C 0.1185(3) 0.8610(3) 0.4968(2) 0.0214(9) Uani 1 1 d . . . . .
C103 C 0.0911(3) 0.8598(3) 0.5667(2) 0.0214(9) Uani 1 1 d . . . . .
C104 C 0.0399(3) 0.8112(3) 0.5897(2) 0.0198(9) Uani 1 1 d . . . . .
H104 H 0.0039 0.8090 0.6325 0.024 Uiso 1 1 calc R U . . .
C105 C 1.0164(6) 0.6662(7) 0.8651(6) 0.122(3) Uani 1 1 d . U . . .
H105 H 1.0653 0.6314 0.8434 0.146 Uiso 1 1 calc R U . . .
C106 C 1.0053(6) 0.6359(7) 0.9366(6) 0.120(3) Uani 1 1 d . U . . .
H106 H 1.0452 0.5799 0.9612 0.144 Uiso 1 1 calc R U . . .
C107 C 0.9355(6) 0.6878(7) 0.9719(6) 0.133(3) Uani 1 1 d . U . . .
H107 H 0.9278 0.6682 1.0197 0.159 Uiso 1 1 calc R U . . .
C108 C 0.8769(6) 0.7722(6) 0.9310(6) 0.111(3) Uani 1 1 d . U . . .
C109 C 0.8883(6) 0.7991(7) 0.8628(6) 0.121(3) Uani 1 1 d . U . . .
H109 H 0.8491 0.8554 0.8381 0.145 Uiso 1 1 calc R U . . .
C110 C 0.9566(6) 0.7467(7) 0.8259(6) 0.125(3) Uani 1 1 d . U . . .
H110 H 0.9612 0.7653 0.7778 0.150 Uiso 1 1 calc R U . . .
C111 C 0.8022(8) 0.8283(9) 0.9641(7) 0.210(6) Uani 1 1 d . U . . .
H11D H 0.8033 0.7997 1.0131 0.315 Uiso 1 1 calc R U . . .
H11E H 0.8046 0.8840 0.9550 0.315 Uiso 1 1 calc R U . . .
H11F H 0.7489 0.8387 0.9462 0.315 Uiso 1 1 calc R U . . .
C112 C 0.3964(5) 0.2695(4) 0.4638(4) 0.081(2) Uani 1 1 d D U . . .
H112 H 0.3670 0.2636 0.4334 0.097 Uiso 1 1 calc R U . . .
C113 C 0.4322(5) 0.1998(5) 0.5233(4) 0.092(2) Uani 1 1 d D U . . .
H113 H 0.4262 0.1476 0.5329 0.110 Uiso 1 1 calc R U . . .
C114 C 0.4763(5) 0.2082(6) 0.5675(5) 0.106(2) Uani 1 1 d D U . . .
H114 H 0.5028 0.1606 0.6061 0.127 Uiso 1 1 calc R U . . .
C115 C 0.4814(5) 0.2863(6) 0.5551(4) 0.102(2) Uani 1 1 d D U . . .
H115 H 0.5087 0.2940 0.5858 0.123 Uiso 1 1 calc R U . . .
C116 C 0.4457(4) 0.3519(5) 0.4968(4) 0.0768(18) Uani 1 1 d D U . . .
H116 H 0.4497 0.4050 0.4880 0.092 Uiso 1 1 calc R U . . .
C117 C 0.4042(4) 0.3452(4) 0.4502(3) 0.0637(15) Uani 1 1 d D U . . .
C118 C 0.3690(6) 0.4220(6) 0.3856(4) 0.128(3) Uani 1 1 d . U . . .
H11A H 0.3812 0.4695 0.3857 0.192 Uiso 1 1 calc R U . . .
H11B H 0.3967 0.4030 0.3457 0.192 Uiso 1 1 calc R U . . .
H11C H 0.3065 0.4423 0.3844 0.192 Uiso 1 1 calc R U . . .
C119 C -0.0576(8) 1.1603(9) 1.0681(6) 0.182(5) Uani 1 1 d . U . . .
H11G H -0.0609 1.1191 1.1121 0.274 Uiso 1 1 calc R U . . .
H11H H -0.0444 1.2040 1.0749 0.274 Uiso 1 1 calc R U . . .
H11I H -0.1129 1.1891 1.0457 0.274 Uiso 1 1 calc R U . . .
C120 C 0.0149(6) 1.1104(8) 1.0230(5) 0.110(3) Uani 1 1 d . U . . .
C121 C 0.0361(6) 1.1498(7) 0.9578(5) 0.119(3) Uani 1 1 d . U . . .
H121 H 0.0072 1.2112 0.9394 0.143 Uiso 1 1 calc R U . . .
C122 C 0.1010(6) 1.1001(7) 0.9170(5) 0.108(3) Uani 1 1 d . U . . .
H122 H 0.1141 1.1282 0.8721 0.129 Uiso 1 1 calc R U . . .
C123 C 0.1446(5) 1.0090(7) 0.9449(5) 0.107(3) Uani 1 1 d . U . . .
H123 H 0.1879 0.9748 0.9191 0.128 Uiso 1 1 calc R U . . .
C124 C 0.1231(6) 0.9701(8) 1.0108(5) 0.117(3) Uani 1 1 d . U . . .
H124 H 0.1511 0.9087 1.0296 0.141 Uiso 1 1 calc R U . . .
C125 C 0.0603(6) 1.0203(7) 1.0503(5) 0.114(3) Uani 1 1 d . U . . .
H125 H 0.0488 0.9925 1.0958 0.136 Uiso 1 1 calc R U . . .
Cl1 Cl 0.17529(8) 0.62247(7) 0.70727(5) 0.0323(3) Uani 1 1 d . . . . .
Cl2 Cl 0.32082(7) 0.72114(7) 0.60321(6) 0.0289(2) Uani 1 1 d . . . . .
Cl3 Cl 0.45366(7) 0.70732(7) 0.72946(6) 0.0311(3) Uani 1 1 d . . . . .
Cl4 Cl 0.29788(7) 0.87621(7) 0.81138(6) 0.0331(3) Uani 1 1 d . . . . .
Dy1 Dy 0.46445(2) 0.77252(2) 0.82150(2) 0.02337(6) Uani 1 1 d . . . . .
Dy2 Dy 0.19930(2) 0.68738(2) 0.57566(2) 0.02067(6) Uani 1 1 d . . . . .
K1 K 0.37165(7) 0.57834(6) 0.74241(5) 0.0299(2) Uani 1 1 d . . . . .
K2 K 0.29486(7) 0.87625(6) 0.65525(5) 0.0317(2) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C6 1.388(6) . ?
C1 C2 1.401(6) . ?
C1 C22 1.483(6) . ?
C1 K1 3.465(4) . ?
C2 C3 1.390(6) . ?
C2 K1 3.275(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.393(6) . ?
C3 K1 3.160(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.382(6) . ?
C4 C7 1.503(6) . ?
C4 K1 3.192(4) . ?
C5 C6 1.386(6) . ?
C5 K1 3.290(4) . ?
C5 H5 0.9300 . ?
C6 K1 3.444(4) . ?
C6 H6 0.9300 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C13 1.378(6) . ?
C8 C9 1.390(6) . ?
C8 C23 1.480(6) . ?
C9 C10 1.366(7) . ?
C9 H9 0.9300 . ?
C10 C11 1.389(8) . ?
C10 H10 0.9300 . ?
C11 C12 1.380(8) . ?
C11 C14 1.528(8) . ?
C12 C13 1.384(7) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C16 1.380(6) . ?
C15 C20 1.403(6) . ?
C15 C25 1.482(6) . ?
C16 C17 1.387(6) . ?
C16 H16 0.9300 . ?
C17 C18 1.390(7) . ?
C17 H17 0.9300 . ?
C18 C19 1.369(7) . ?
C18 C21 1.524(7) . ?
C19 C20 1.378(6) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C26 1.410(6) . ?
C22 C23 1.423(6) . ?
C22 Dy1 2.702(4) . ?
C23 C24 1.418(6) . ?
C23 Dy1 2.713(4) . ?
C24 C25 1.420(6) . ?
C24 Dy1 2.650(4) . ?
C24 H24 0.9800 . ?
C25 C26 1.412(6) . ?
C25 Dy1 2.652(4) . ?
C26 Dy1 2.656(4) . ?
C26 H26 0.9800 . ?
C27 C28 1.378(6) . ?
C27 C32 1.388(6) . ?
C27 C52 1.481(6) . ?
C28 C29 1.392(7) . ?
C28 H28 0.9300 . ?
C29 C30 1.382(7) . ?
C29 H29 0.9300 . ?
C30 C31 1.381(7) . ?
C30 C33 1.512(7) . ?
C31 C32 1.375(7) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 C39 1.394(6) . ?
C34 C35 1.395(6) . ?
C34 C48 1.492(6) . ?
C34 K2 3.268(4) . ?
C35 C36 1.380(6) . ?
C35 K2 3.294(5) . ?
C35 H35 0.9300 . ?
C36 C37 1.380(7) . ?
C36 K2 3.350(5) . ?
C36 H36 0.9300 . ?
C37 C38 1.394(6) . ?
C37 C40 1.506(6) . ?
C37 K2 3.405(4) . ?
C38 C39 1.384(6) . ?
C38 K2 3.326(4) . ?
C38 H38 0.9300 . ?
C39 K2 3.250(4) . ?
C39 H39 0.9300 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 C46 1.384(8) . ?
C41 C42 1.393(8) . ?
C41 C50 1.475(7) . ?
C42 C43 1.375(7) . ?
C42 H42 0.9300 . ?
C43 C44 1.384(9) . ?
C43 H43 0.9300 . ?
C44 C45 1.376(10) . ?
C44 C47 1.521(9) . ?
C45 C46 1.395(8) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 C49 1.407(6) . ?
C48 C52 1.429(6) . ?
C48 Dy1 2.715(4) . ?
C49 C50 1.409(6) . ?
C49 Dy1 2.646(4) . ?
C49 H49 0.9800 . ?
C50 C51 1.408(6) . ?
C50 Dy1 2.640(4) . ?
C51 C52 1.407(6) . ?
C51 Dy1 2.646(4) . ?
C51 H51 0.9800 . ?
C52 Dy1 2.735(4) . ?
C53 C54 1.387(6) . ?
C53 C58 1.394(6) . ?
C53 C75 1.491(6) . ?
C53 K1 3.270(4) . ?
C54 C55 1.378(6) . ?
C54 K1 3.312(5) . ?
C54 H54 0.9300 . ?
C55 C56 1.382(6) . ?
C55 K1 3.331(5) . ?
C55 H55 0.9300 . ?
C56 C57 1.379(7) . ?
C56 C59 1.516(6) . ?
C56 K1 3.334(4) . ?
C57 C58 1.390(6) . ?
C57 K1 3.266(4) . ?
C57 H57 0.9300 . ?
C58 K1 3.229(4) . ?
C58 H58 0.9300 . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C60 C61 1.389(7) . ?
C60 C65 1.402(7) . ?
C60 C77 1.476(6) . ?
C61 C62 1.383(6) . ?
C61 H61 0.9300 . ?
C62 C63 1.365(8) . ?
C62 H62 0.9300 . ?
C63 C64 1.391(9) . ?
C63 C66 1.521(7) . ?
C64 C65 1.382(7) . ?
C64 H64 0.9300 . ?
C65 H65 0.9300 . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C67 C68 1.379(6) . ?
C67 C72 1.384(7) . ?
C67 C74 1.489(6) . ?
C68 C69 1.385(7) . ?
C68 H68 0.9300 . ?
C69 C70 1.369(8) . ?
C69 H69 0.9300 . ?
C70 C71 1.392(7) . ?
C70 C73 1.514(7) . ?
C71 C72 1.399(7) . ?
C71 H71 0.9300 . ?
C72 H72 0.9300 . ?
C73 H73A 0.9600 . ?
C73 H73B 0.9600 . ?
C73 H73C 0.9600 . ?
C74 C78 1.411(6) . ?
C74 C75 1.424(6) . ?
C74 Dy2 2.750(4) . ?
C75 C76 1.421(6) . ?
C75 Dy2 2.723(4) . ?
C76 C77 1.403(6) . ?
C76 Dy2 2.645(4) . ?
C76 H76 0.9800 . ?
C77 C78 1.414(6) . ?
C77 Dy2 2.638(4) . ?
C78 Dy2 2.653(4) . ?
C78 H78 0.9800 . ?
C79 C84 1.385(6) . ?
C79 C80 1.394(6) . ?
C79 C102 1.485(5) . ?
C80 C81 1.387(6) . ?
C80 H80 0.9300 . ?
C81 C82 1.383(7) . ?
C81 H81 0.9300 . ?
C82 C83 1.383(6) . ?
C82 C85 1.523(6) . ?
C83 C84 1.398(6) . ?
C83 H83 0.9300 . ?
C84 H84 0.9300 . ?
C85 H85A 0.9600 . ?
C85 H85B 0.9600 . ?
C85 H85C 0.9600 . ?
C86 C91 1.393(6) . ?
C86 C87 1.399(6) . ?
C86 C103 1.480(6) . ?
C86 K2 3.362(4) . ?
C87 C88 1.380(6) . ?
C87 K2 3.346(4) . ?
C87 H87 0.9300 . ?
C88 C89 1.391(6) . ?
C88 K2 3.289(4) . ?
C88 H88 0.9300 . ?
C89 C90 1.387(6) . ?
C89 C92 1.517(6) . ?
C89 K2 3.256(5) . ?
C90 C91 1.396(6) . ?
C90 K2 3.209(5) . ?
C90 H90 0.9300 . ?
C91 K2 3.245(4) . ?
C91 H91 0.9300 . ?
C92 H92A 0.9600 . ?
C92 H92B 0.9600 . ?
C92 H92C 0.9600 . ?
C93 C98 1.395(6) . ?
C93 C94 1.398(6) . ?
C93 C100 1.469(5) . ?
C94 C95 1.393(6) . ?
C94 H94 0.9300 . ?
C95 C96 1.381(7) . ?
C95 H95 0.9300 . ?
C96 C97 1.379(7) . ?
C96 C99 1.512(6) . ?
C97 C98 1.386(6) . ?
C97 H97 0.9300 . ?
C98 H98 0.9300 . ?
C99 H99A 0.9600 . ?
C99 H99B 0.9600 . ?
C99 H99C 0.9600 . ?
C100 C104 1.406(6) . ?
C100 C101 1.418(6) . ?
C100 Dy2 2.637(4) . ?
C101 C102 1.410(5) . ?
C101 Dy2 2.667(4) . ?
C101 H101 0.9800 . ?
C102 C103 1.428(6) . ?
C102 Dy2 2.739(4) . ?
C103 C104 1.413(5) . ?
C103 Dy2 2.716(4) . ?
C104 Dy2 2.648(4) . ?
C104 H104 0.9800 . ?
C105 C110 1.379(12) . ?
C105 C106 1.392(13) . ?
C105 H105 0.9300 . ?
C106 C107 1.396(12) . ?
C106 H106 0.9300 . ?
C107 C108 1.419(12) . ?
C107 H107 0.9300 . ?
C108 C109 1.329(12) . ?
C108 C111 1.441(13) . ?
C109 C110 1.408(12) . ?
C109 H109 0.9300 . ?
C110 H110 0.9300 . ?
C111 H11D 0.9600 . ?
C111 H11E 0.9600 . ?
C111 H11F 0.9600 . ?
C112 C117 1.341(7) . ?
C112 C113 1.390(8) . ?
C112 H112 0.9300 . ?
C113 C114 1.367(9) . ?
C113 H113 0.9300 . ?
C114 C115 1.363(9) . ?
C114 H114 0.9300 . ?
C115 C116 1.348(9) . ?
C115 H115 0.9300 . ?
C116 C117 1.356(8) . ?
C116 H116 0.9300 . ?
C117 C118 1.508(10) . ?
C118 H11A 0.9600 . ?
C118 H11B 0.9600 . ?
C118 H11C 0.9600 . ?
C119 C120 1.527(13) . ?
C119 H11G 0.9600 . ?
C119 H11H 0.9600 . ?
C119 H11I 0.9600 . ?
C120 C121 1.354(11) . ?
C120 C125 1.371(13) . ?
C121 C122 1.413(12) . ?
C121 H121 0.9300 . ?
C122 C123 1.383(12) . ?
C122 H122 0.9300 . ?
C123 C124 1.365(11) . ?
C123 H123 0.9300 . ?
C124 C125 1.386(12) . ?
C124 H124 0.9300 . ?
C125 H125 0.9300 . ?
Cl1 Dy2 2.5927(11) . ?
Cl1 K1 3.2389(15) . ?
Cl2 Dy2 2.6099(10) . ?
Cl2 K1 3.0431(14) . ?
Cl2 K2 3.1146(14) . ?
Cl3 Dy1 2.6112(11) . ?
Cl3 K2 3.0930(15) . ?
Cl3 K1 3.1134(14) . ?
Cl4 Dy1 2.5861(11) . ?
Cl4 K2 3.2265(16) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6 C1 C2 117.3(4) . . ?
C6 C1 C22 122.7(4) . . ?
C2 C1 C22 119.8(4) . . ?
C6 C1 K1 77.5(2) . . ?
C2 C1 K1 70.5(2) . . ?
C22 C1 K1 126.2(3) . . ?
C3 C2 C1 121.2(4) . . ?
C3 C2 K1 72.9(2) . . ?
C1 C2 K1 85.8(2) . . ?
C3 C2 H2 119.4 . . ?
C1 C2 H2 119.4 . . ?
K1 C2 H2 112.0 . . ?
C2 C3 C4 121.2(4) . . ?
C2 C3 K1 82.2(3) . . ?
C4 C3 K1 78.6(3) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 H3 119.4 . . ?
K1 C3 H3 109.8 . . ?
C5 C4 C3 117.1(4) . . ?
C5 C4 C7 121.3(4) . . ?
C3 C4 C7 121.6(4) . . ?
C5 C4 K1 81.7(2) . . ?
C3 C4 K1 76.1(3) . . ?
C7 C4 K1 112.6(3) . . ?
C4 C5 C6 122.3(4) . . ?
C4 C5 K1 73.7(2) . . ?
C6 C5 K1 84.4(2) . . ?
C4 C5 H5 118.9 . . ?
C6 C5 H5 118.9 . . ?
K1 C5 H5 113.0 . . ?
C5 C6 C1 120.8(4) . . ?
C5 C6 K1 72.0(2) . . ?
C1 C6 K1 79.3(2) . . ?
C5 C6 H6 119.6 . . ?
C1 C6 H6 119.6 . . ?
K1 C6 H6 120.1 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C13 C8 C9 117.6(4) . . ?
C13 C8 C23 118.1(4) . . ?
C9 C8 C23 124.3(4) . . ?
C10 C9 C8 121.3(5) . . ?
C10 C9 H9 119.3 . . ?
C8 C9 H9 119.3 . . ?
C9 C10 C11 121.3(5) . . ?
C9 C10 H10 119.4 . . ?
C11 C10 H10 119.4 . . ?
C12 C11 C10 117.6(5) . . ?
C12 C11 C14 120.9(6) . . ?
C10 C11 C14 121.5(5) . . ?
C11 C12 C13 121.1(5) . . ?
C11 C12 H12 119.4 . . ?
C13 C12 H12 119.4 . . ?
C8 C13 C12 121.1(5) . . ?
C8 C13 H13 119.4 . . ?
C12 C13 H13 119.4 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C20 117.3(4) . . ?
C16 C15 C25 121.4(4) . . ?
C20 C15 C25 121.3(4) . . ?
C15 C16 C17 121.3(4) . . ?
C15 C16 H16 119.4 . . ?
C17 C16 H16 119.4 . . ?
C16 C17 C18 120.9(5) . . ?
C16 C17 H17 119.5 . . ?
C18 C17 H17 119.5 . . ?
C19 C18 C17 117.9(4) . . ?
C19 C18 C21 121.6(5) . . ?
C17 C18 C21 120.5(5) . . ?
C18 C19 C20 121.7(5) . . ?
C18 C19 H19 119.1 . . ?
C20 C19 H19 119.1 . . ?
C19 C20 C15 120.9(5) . . ?
C19 C20 H20 119.6 . . ?
C15 C20 H20 119.6 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C26 C22 C23 107.9(4) . . ?
C26 C22 C1 122.0(4) . . ?
C23 C22 C1 129.8(4) . . ?
C26 C22 Dy1 73.0(2) . . ?
C23 C22 Dy1 75.2(2) . . ?
C1 C22 Dy1 122.9(3) . . ?
C24 C23 C22 106.7(4) . . ?
C24 C23 C8 122.5(4) . . ?
C22 C23 C8 130.3(4) . . ?
C24 C23 Dy1 72.2(2) . . ?
C22 C23 Dy1 74.3(2) . . ?
C8 C23 Dy1 124.9(3) . . ?
C23 C24 C25 109.6(4) . . ?
C23 C24 Dy1 77.1(2) . . ?
C25 C24 Dy1 74.5(2) . . ?
C23 C24 H24 124.6 . . ?
C25 C24 H24 124.6 . . ?
Dy1 C24 H24 124.6 . . ?
C26 C25 C24 106.2(4) . . ?
C26 C25 C15 126.7(4) . . ?
C24 C25 C15 127.0(4) . . ?
C26 C25 Dy1 74.7(2) . . ?
C24 C25 Dy1 74.4(2) . . ?
C15 C25 Dy1 118.2(3) . . ?
C22 C26 C25 109.5(4) . . ?
C22 C26 Dy1 76.5(2) . . ?
C25 C26 Dy1 74.4(2) . . ?
C22 C26 H26 124.7 . . ?
C25 C26 H26 124.7 . . ?
Dy1 C26 H26 124.7 . . ?
C28 C27 C32 117.4(4) . . ?
C28 C27 C52 123.4(4) . . ?
C32 C27 C52 119.2(4) . . ?
C27 C28 C29 120.9(4) . . ?
C27 C28 H28 119.6 . . ?
C29 C28 H28 119.6 . . ?
C30 C29 C28 121.4(5) . . ?
C30 C29 H29 119.3 . . ?
C28 C29 H29 119.3 . . ?
C31 C30 C29 117.4(5) . . ?
C31 C30 C33 122.1(5) . . ?
C29 C30 C33 120.5(5) . . ?
C32 C31 C30 121.3(4) . . ?
C32 C31 H31 119.4 . . ?
C30 C31 H31 119.4 . . ?
C31 C32 C27 121.6(5) . . ?
C31 C32 H32 119.2 . . ?
C27 C32 H32 119.2 . . ?
C30 C33 H33A 109.5 . . ?
C30 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C30 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C39 C34 C35 117.0(4) . . ?
C39 C34 C48 122.9(4) . . ?
C35 C34 C48 120.1(4) . . ?
C39 C34 K2 76.9(2) . . ?
C35 C34 K2 78.8(3) . . ?
C48 C34 K2 113.5(2) . . ?
C36 C35 C34 121.5(5) . . ?
C36 C35 K2 80.3(3) . . ?
C34 C35 K2 76.7(2) . . ?
C36 C35 H35 119.3 . . ?
C34 C35 H35 119.3 . . ?
K2 C35 H35 114.1 . . ?
C35 C36 C37 121.8(5) . . ?
C35 C36 K2 75.7(3) . . ?
C37 C36 K2 80.5(3) . . ?
C35 C36 H36 119.1 . . ?
C37 C36 H36 119.1 . . ?
K2 C36 H36 115.1 . . ?
C36 C37 C38 116.9(4) . . ?
C36 C37 C40 122.3(4) . . ?
C38 C37 C40 120.8(4) . . ?
C36 C37 K2 76.0(3) . . ?
C38 C37 K2 74.9(3) . . ?
C40 C37 K2 120.1(3) . . ?
C39 C38 C37 121.9(4) . . ?
C39 C38 K2 74.8(2) . . ?
C37 C38 K2 81.3(3) . . ?
C39 C38 H38 119.1 . . ?
C37 C38 H38 119.1 . . ?
K2 C38 H38 115.2 . . ?
C38 C39 C34 120.9(4) . . ?
C38 C39 K2 81.0(2) . . ?
C34 C39 K2 78.4(2) . . ?
C38 C39 H39 119.5 . . ?
C34 C39 H39 119.5 . . ?
K2 C39 H39 111.3 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C46 C41 C42 117.9(5) . . ?
C46 C41 C50 120.4(5) . . ?
C42 C41 C50 121.7(5) . . ?
C43 C42 C41 121.4(6) . . ?
C43 C42 H42 119.3 . . ?
C41 C42 H42 119.3 . . ?
C42 C43 C44 121.3(7) . . ?
C42 C43 H43 119.3 . . ?
C44 C43 H43 119.3 . . ?
C45 C44 C43 117.3(6) . . ?
C45 C44 C47 121.0(7) . . ?
C43 C44 C47 121.8(8) . . ?
C44 C45 C46 122.3(7) . . ?
C44 C45 H45 118.8 . . ?
C46 C45 H45 118.8 . . ?
C41 C46 C45 119.8(7) . . ?
C41 C46 H46 120.1 . . ?
C45 C46 H46 120.1 . . ?
C44 C47 H47A 109.5 . . ?
C44 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C44 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C49 C48 C52 107.3(4) . . ?
C49 C48 C34 125.0(4) . . ?
C52 C48 C34 127.7(4) . . ?
C49 C48 Dy1 72.1(2) . . ?
C52 C48 Dy1 75.6(2) . . ?
C34 C48 Dy1 119.5(3) . . ?
C48 C49 C50 109.6(4) . . ?
C48 C49 Dy1 77.5(2) . . ?
C50 C49 Dy1 74.3(2) . . ?
C48 C49 H49 124.6 . . ?
C50 C49 H49 124.6 . . ?
Dy1 C49 H49 124.6 . . ?
C51 C50 C49 106.4(4) . . ?
C51 C50 C41 128.0(4) . . ?
C49 C50 C41 125.6(5) . . ?
C51 C50 Dy1 74.8(2) . . ?
C49 C50 Dy1 74.8(2) . . ?
C41 C50 Dy1 117.6(3) . . ?
C52 C51 C50 109.9(4) . . ?
C52 C51 Dy1 78.4(2) . . ?
C50 C51 Dy1 74.3(2) . . ?
C52 C51 H51 124.4 . . ?
C50 C51 H51 124.4 . . ?
Dy1 C51 H51 124.4 . . ?
C51 C52 C48 106.9(4) . . ?
C51 C52 C27 124.4(4) . . ?
C48 C52 C27 128.3(4) . . ?
C51 C52 Dy1 71.4(2) . . ?
C48 C52 Dy1 74.0(2) . . ?
C27 C52 Dy1 126.2(3) . . ?
C54 C53 C58 117.2(4) . . ?
C54 C53 C75 120.8(4) . . ?
C58 C53 C75 122.0(4) . . ?
C54 C53 K1 79.5(3) . . ?
C58 C53 K1 76.0(2) . . ?
C75 C53 K1 114.9(3) . . ?
C55 C54 C53 121.6(4) . . ?
C55 C54 K1 78.8(3) . . ?
C53 C54 K1 76.1(3) . . ?
C55 C54 H54 119.2 . . ?
C53 C54 H54 119.2 . . ?
K1 C54 H54 116.4 . . ?
C54 C55 C56 121.3(4) . . ?
C54 C55 K1 77.3(3) . . ?
C56 C55 K1 78.1(3) . . ?
C54 C55 H55 119.3 . . ?
C56 C55 H55 119.3 . . ?
K1 C55 H55 115.8 . . ?
C57 C56 C55 117.6(4) . . ?
C57 C56 C59 120.6(4) . . ?
C55 C56 C59 121.8(4) . . ?
C57 C56 K1 75.2(3) . . ?
C55 C56 K1 77.9(3) . . ?
C59 C56 K1 117.8(3) . . ?
C56 C57 C58 121.7(4) . . ?
C56 C57 K1 80.7(3) . . ?
C58 C57 K1 76.1(2) . . ?
C56 C57 H57 119.2 . . ?
C58 C57 H57 119.2 . . ?
K1 C57 H57 114.3 . . ?
C57 C58 C53 120.6(4) . . ?
C57 C58 K1 79.2(3) . . ?
C53 C58 K1 79.3(2) . . ?
C57 C58 H58 119.7 . . ?
C53 C58 H58 119.7 . . ?
K1 C58 H58 112.2 . . ?
C56 C59 H59A 109.5 . . ?
C56 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C56 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C61 C60 C65 116.9(5) . . ?
C61 C60 C77 121.8(4) . . ?
C65 C60 C77 121.3(4) . . ?
C62 C61 C60 121.7(5) . . ?
C62 C61 H61 119.2 . . ?
C60 C61 H61 119.2 . . ?
C63 C62 C61 121.4(6) . . ?
C63 C62 H62 119.3 . . ?
C61 C62 H62 119.3 . . ?
C62 C63 C64 117.8(5) . . ?
C62 C63 C66 121.8(6) . . ?
C64 C63 C66 120.4(6) . . ?
C65 C64 C63 121.5(5) . . ?
C65 C64 H64 119.2 . . ?
C63 C64 H64 119.2 . . ?
C64 C65 C60 120.6(5) . . ?
C64 C65 H65 119.7 . . ?
C60 C65 H65 119.7 . . ?
C63 C66 H66A 109.5 . . ?
C63 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C63 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C68 C67 C72 117.5(4) . . ?
C68 C67 C74 120.4(4) . . ?
C72 C67 C74 121.8(4) . . ?
C67 C68 C69 121.1(5) . . ?
C67 C68 H68 119.5 . . ?
C69 C68 H68 119.5 . . ?
C70 C69 C68 121.6(5) . . ?
C70 C69 H69 119.2 . . ?
C68 C69 H69 119.2 . . ?
C69 C70 C71 118.4(5) . . ?
C69 C70 C73 121.8(5) . . ?
C71 C70 C73 119.8(6) . . ?
C70 C71 C72 119.6(5) . . ?
C70 C71 H71 120.2 . . ?
C72 C71 H71 120.2 . . ?
C67 C72 C71 121.7(5) . . ?
C67 C72 H72 119.2 . . ?
C71 C72 H72 119.2 . . ?
C70 C73 H73A 109.5 . . ?
C70 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C70 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C78 C74 C75 107.4(4) . . ?
C78 C74 C67 122.8(4) . . ?
C75 C74 C67 129.4(4) . . ?
C78 C74 Dy2 71.1(2) . . ?
C75 C74 Dy2 73.9(2) . . ?
C67 C74 Dy2 126.0(3) . . ?
C76 C75 C74 106.9(4) . . ?
C76 C75 C53 124.6(4) . . ?
C74 C75 C53 128.5(4) . . ?
C76 C75 Dy2 71.6(2) . . ?
C74 C75 Dy2 76.0(2) . . ?
C53 C75 Dy2 118.9(3) . . ?
C77 C76 C75 109.5(4) . . ?
C77 C76 Dy2 74.3(2) . . ?
C75 C76 Dy2 77.7(2) . . ?
C77 C76 H76 124.6 . . ?
C75 C76 H76 124.6 . . ?
Dy2 C76 H76 124.6 . . ?
C76 C77 C78 106.7(4) . . ?
C76 C77 C60 127.2(4) . . ?
C78 C77 C60 126.1(4) . . ?
C76 C77 Dy2 74.9(2) . . ?
C78 C77 Dy2 75.1(2) . . ?
C60 C77 Dy2 114.3(3) . . ?
C74 C78 C77 109.4(4) . . ?
C74 C78 Dy2 78.7(2) . . ?
C77 C78 Dy2 73.9(2) . . ?
C74 C78 H78 124.6 . . ?
C77 C78 H78 124.6 . . ?
Dy2 C78 H78 124.6 . . ?
C84 C79 C80 117.2(4) . . ?
C84 C79 C102 123.9(4) . . ?
C80 C79 C102 118.9(4) . . ?
C81 C80 C79 121.4(4) . . ?
C81 C80 H80 119.3 . . ?
C79 C80 H80 119.3 . . ?
C82 C81 C80 121.2(4) . . ?
C82 C81 H81 119.4 . . ?
C80 C81 H81 119.4 . . ?
C83 C82 C81 117.8(4) . . ?
C83 C82 C85 120.8(5) . . ?
C81 C82 C85 121.5(4) . . ?
C82 C83 C84 121.2(4) . . ?
C82 C83 H83 119.4 . . ?
C84 C83 H83 119.4 . . ?
C79 C84 C83 121.2(4) . . ?
C79 C84 H84 119.4 . . ?
C83 C84 H84 119.4 . . ?
C82 C85 H85A 109.5 . . ?
C82 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C82 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C91 C86 C87 117.6(4) . . ?
C91 C86 C103 120.2(4) . . ?
C87 C86 C103 121.9(4) . . ?
C91 C86 K2 73.2(2) . . ?
C87 C86 K2 77.3(2) . . ?
C103 C86 K2 124.8(3) . . ?
C88 C87 C86 120.5(4) . . ?
C88 C87 K2 75.7(2) . . ?
C86 C87 K2 78.6(2) . . ?
C88 C87 H87 119.7 . . ?
C86 C87 H87 119.7 . . ?
K2 C87 H87 116.6 . . ?
C87 C88 C89 122.0(4) . . ?
C87 C88 K2 80.3(2) . . ?
C89 C88 K2 76.4(3) . . ?
C87 C88 H88 119.0 . . ?
C89 C88 H88 119.0 . . ?
K2 C88 H88 114.5 . . ?
C90 C89 C88 117.8(4) . . ?
C90 C89 C92 120.5(5) . . ?
C88 C89 C92 121.7(4) . . ?
C90 C89 K2 75.7(3) . . ?
C88 C89 K2 79.0(3) . . ?
C92 C89 K2 115.2(3) . . ?
C89 C90 C91 120.6(4) . . ?
C89 C90 K2 79.5(3) . . ?
C91 C90 K2 79.0(3) . . ?
C89 C90 H90 119.7 . . ?
C91 C90 H90 119.7 . . ?
K2 C90 H90 112.1 . . ?
C86 C91 C90 121.4(4) . . ?
C86 C91 K2 82.6(2) . . ?
C90 C91 K2 76.0(3) . . ?
C86 C91 H91 119.3 . . ?
C90 C91 H91 119.3 . . ?
K2 C91 H91 112.2 . . ?
C89 C92 H92A 109.5 . . ?
C89 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C89 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C98 C93 C94 116.4(4) . . ?
C98 C93 C100 121.7(4) . . ?
C94 C93 C100 122.0(4) . . ?
C95 C94 C93 121.4(4) . . ?
C95 C94 H94 119.3 . . ?
C93 C94 H94 119.3 . . ?
C96 C95 C94 121.3(4) . . ?
C96 C95 H95 119.3 . . ?
C94 C95 H95 119.3 . . ?
C97 C96 C95 117.6(4) . . ?
C97 C96 C99 121.8(5) . . ?
C95 C96 C99 120.6(5) . . ?
C96 C97 C98 121.5(5) . . ?
C96 C97 H97 119.2 . . ?
C98 C97 H97 119.2 . . ?
C97 C98 C93 121.6(4) . . ?
C97 C98 H98 119.2 . . ?
C93 C98 H98 119.2 . . ?
C96 C99 H99A 109.5 . . ?
C96 C99 H99B 109.5 . . ?
H99A C99 H99B 109.5 . . ?
C96 C99 H99C 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C104 C100 C101 106.6(3) . . ?
C104 C100 C93 127.0(4) . . ?
C101 C100 C93 126.5(4) . . ?
C104 C100 Dy2 75.0(2) . . ?
C101 C100 Dy2 75.7(2) . . ?
C93 C100 Dy2 116.0(3) . . ?
C102 C101 C100 109.6(4) . . ?
C102 C101 Dy2 77.7(2) . . ?
C100 C101 Dy2 73.3(2) . . ?
C102 C101 H101 124.7 . . ?
C100 C101 H101 124.7 . . ?
Dy2 C101 H101 124.7 . . ?
C101 C102 C103 106.9(3) . . ?
C101 C102 C79 123.5(4) . . ?
C103 C102 C79 129.1(4) . . ?
C101 C102 Dy2 72.1(2) . . ?
C103 C102 Dy2 73.9(2) . . ?
C79 C102 Dy2 125.1(3) . . ?
C104 C103 C102 107.5(3) . . ?
C104 C103 C86 122.3(4) . . ?
C102 C103 C86 129.8(4) . . ?
C104 C103 Dy2 72.1(2) . . ?
C102 C103 Dy2 75.7(2) . . ?
C86 C103 Dy2 123.2(3) . . ?
C100 C104 C103 109.4(4) . . ?
C100 C104 Dy2 74.1(2) . . ?
C103 C104 Dy2 77.4(2) . . ?
C100 C104 H104 124.7 . . ?
C103 C104 H104 124.7 . . ?
Dy2 C104 H104 124.7 . . ?
C110 C105 C106 121.5(11) . . ?
C110 C105 H105 119.2 . . ?
C106 C105 H105 119.2 . . ?
C105 C106 C107 121.3(10) . . ?
C105 C106 H106 119.4 . . ?
C107 C106 H106 119.4 . . ?
C106 C107 C108 116.4(10) . . ?
C106 C107 H107 121.8 . . ?
C108 C107 H107 121.8 . . ?
C109 C108 C107 121.1(10) . . ?
C109 C108 C111 119.7(10) . . ?
C107 C108 C111 119.2(11) . . ?
C108 C109 C110 123.5(11) . . ?
C108 C109 H109 118.3 . . ?
C110 C109 H109 118.3 . . ?
C105 C110 C109 116.1(11) . . ?
C105 C110 H110 121.9 . . ?
C109 C110 H110 121.9 . . ?
C108 C111 H11D 109.5 . . ?
C108 C111 H11E 109.5 . . ?
H11D C111 H11E 109.5 . . ?
C108 C111 H11F 109.5 . . ?
H11D C111 H11F 109.5 . . ?
H11E C111 H11F 109.5 . . ?
C117 C112 C113 120.2(7) . . ?
C117 C112 H112 119.9 . . ?
C113 C112 H112 119.9 . . ?
C114 C113 C112 119.9(8) . . ?
C114 C113 H113 120.1 . . ?
C112 C113 H113 120.1 . . ?
C115 C114 C113 119.9(9) . . ?
C115 C114 H114 120.0 . . ?
C113 C114 H114 120.0 . . ?
C116 C115 C114 118.0(9) . . ?
C116 C115 H115 121.0 . . ?
C114 C115 H115 121.0 . . ?
C115 C116 C117 123.9(7) . . ?
C115 C116 H116 118.0 . . ?
C117 C116 H116 118.0 . . ?
C112 C117 C116 118.0(7) . . ?
C112 C117 C118 122.5(8) . . ?
C116 C117 C118 119.5(7) . . ?
C117 C118 H11A 109.5 . . ?
C117 C118 H11B 109.5 . . ?
H11A C118 H11B 109.5 . . ?
C117 C118 H11C 109.5 . . ?
H11A C118 H11C 109.5 . . ?
H11B C118 H11C 109.5 . . ?
C120 C119 H11G 109.5 . . ?
C120 C119 H11H 109.5 . . ?
H11G C119 H11H 109.5 . . ?
C120 C119 H11I 109.5 . . ?
H11G C119 H11I 109.5 . . ?
H11H C119 H11I 109.5 . . ?
C121 C120 C125 118.4(11) . . ?
C121 C120 C119 124.0(11) . . ?
C125 C120 C119 117.6(10) . . ?
C120 C121 C122 121.7(11) . . ?
C120 C121 H121 119.1 . . ?
C122 C121 H121 119.1 . . ?
C123 C122 C121 119.0(9) . . ?
C123 C122 H122 120.5 . . ?
C121 C122 H122 120.5 . . ?
C124 C123 C122 118.7(10) . . ?
C124 C123 H123 120.7 . . ?
C122 C123 H123 120.7 . . ?
C123 C124 C125 121.3(11) . . ?
C123 C124 H124 119.3 . . ?
C125 C124 H124 119.3 . . ?
C120 C125 C124 120.7(10) . . ?
C120 C125 H125 119.6 . . ?
C124 C125 H125 119.6 . . ?
Dy2 Cl1 K1 92.86(4) . . ?
Dy2 Cl2 K1 97.16(4) . . ?
Dy2 Cl2 K2 127.69(5) . . ?
K1 Cl2 K2 95.81(4) . . ?
Dy1 Cl3 K2 95.21(4) . . ?
Dy1 Cl3 K1 129.95(4) . . ?
K2 Cl3 K1 94.83(4) . . ?
Dy1 Cl4 K2 92.59(4) . . ?
Cl4 Dy1 Cl3 90.00(4) . . ?
Cl4 Dy1 C50 136.31(10) . . ?
Cl3 Dy1 C50 101.07(11) . . ?
Cl4 Dy1 C49 115.51(10) . . ?
Cl3 Dy1 C49 78.62(10) . . ?
C50 Dy1 C49 30.92(13) . . ?
Cl4 Dy1 C51 114.47(11) . . ?
Cl3 Dy1 C51 128.74(11) . . ?
C50 Dy1 C51 30.89(14) . . ?
C49 Dy1 C51 50.44(14) . . ?
Cl4 Dy1 C24 128.79(10) . . ?
Cl3 Dy1 C24 118.96(9) . . ?
C50 Dy1 C24 81.91(13) . . ?
C49 Dy1 C24 111.33(14) . . ?
C51 Dy1 C24 80.85(13) . . ?
Cl4 Dy1 C25 98.55(10) . . ?
Cl3 Dy1 C25 135.67(9) . . ?
C50 Dy1 C25 102.02(13) . . ?
C49 Dy1 C25 132.72(13) . . ?
C51 Dy1 C25 86.67(13) . . ?
C24 Dy1 C25 31.07(13) . . ?
Cl4 Dy1 C26 80.97(10) . . ?
Cl3 Dy1 C26 110.63(9) . . ?
C50 Dy1 C26 131.16(13) . . ?
C49 Dy1 C26 161.75(14) . . ?
C51 Dy1 C26 117.02(13) . . ?
C24 Dy1 C26 50.52(13) . . ?
C25 Dy1 C26 30.84(12) . . ?
Cl4 Dy1 C22 97.01(10) . . ?
Cl3 Dy1 C22 84.89(9) . . ?
C50 Dy1 C22 125.78(13) . . ?
C49 Dy1 C22 143.17(13) . . ?
C51 Dy1 C22 131.18(13) . . ?
C24 Dy1 C22 50.42(13) . . ?
C25 Dy1 C22 50.99(12) . . ?
C26 Dy1 C22 30.51(12) . . ?
Cl4 Dy1 C23 127.23(9) . . ?
Cl3 Dy1 C23 89.42(9) . . ?
C50 Dy1 C23 95.32(13) . . ?
C49 Dy1 C23 116.02(13) . . ?
C51 Dy1 C23 106.37(13) . . ?
C24 Dy1 C23 30.64(12) . . ?
C25 Dy1 C23 51.22(12) . . ?
C26 Dy1 C23 50.50(13) . . ?
C22 Dy1 C23 30.48(13) . . ?
Cl4 Dy1 C48 87.56(10) . . ?
Cl3 Dy1 C48 89.70(9) . . ?
C50 Dy1 C48 50.87(13) . . ?
C49 Dy1 C48 30.40(13) . . ?
C51 Dy1 C48 50.26(13) . . ?
C24 Dy1 C48 129.75(13) . . ?
C25 Dy1 C48 133.80(12) . . ?
C26 Dy1 C48 156.48(13) . . ?
C22 Dy1 C48 172.91(13) . . ?
C23 Dy1 C48 145.20(13) . . ?
Cl4 Dy1 C52 87.12(10) . . ?
Cl3 Dy1 C52 120.09(10) . . ?
C50 Dy1 C52 50.72(14) . . ?
C49 Dy1 C52 50.20(14) . . ?
C51 Dy1 C52 30.25(13) . . ?
C24 Dy1 C52 108.43(13) . . ?
C25 Dy1 C52 103.80(13) . . ?
C26 Dy1 C52 127.77(13) . . ?
C22 Dy1 C52 154.77(13) . . ?
C23 Dy1 C52 136.31(13) . . ?
C48 Dy1 C52 30.40(13) . . ?
Cl1 Dy2 Cl2 89.25(4) . . ?
Cl1 Dy2 C100 100.34(9) . . ?
Cl2 Dy2 C100 135.58(9) . . ?
Cl1 Dy2 C77 135.24(10) . . ?
Cl2 Dy2 C77 102.29(10) . . ?
C100 Dy2 C77 100.67(13) . . ?
Cl1 Dy2 C76 115.77(10) . . ?
Cl2 Dy2 C76 78.67(10) . . ?
C100 Dy2 C76 131.42(13) . . ?
C77 Dy2 C76 30.79(13) . . ?
Cl1 Dy2 C104 81.70(9) . . ?
Cl2 Dy2 C104 111.31(9) . . ?
C100 Dy2 C104 30.85(12) . . ?
C77 Dy2 C104 130.39(13) . . ?
C76 Dy2 C104 160.67(13) . . ?
Cl1 Dy2 C78 112.48(10) . . ?
Cl2 Dy2 C78 129.11(10) . . ?
C100 Dy2 C78 86.97(13) . . ?
C77 Dy2 C78 31.00(13) . . ?
C76 Dy2 C78 50.48(13) . . ?
C104 Dy2 C78 116.85(13) . . ?
Cl1 Dy2 C101 130.15(9) . . ?
Cl2 Dy2 C101 117.74(9) . . ?
C100 Dy2 C101 31.01(12) . . ?
C77 Dy2 C101 82.07(13) . . ?
C76 Dy2 C101 110.48(13) . . ?
C104 Dy2 C101 50.41(12) . . ?
C78 Dy2 C101 83.33(13) . . ?
Cl1 Dy2 C103 96.65(9) . . ?
Cl2 Dy2 C103 85.11(9) . . ?
C100 Dy2 C103 50.90(12) . . ?
C77 Dy2 C103 127.03(13) . . ?
C76 Dy2 C103 143.17(12) . . ?
C104 Dy2 C103 30.52(12) . . ?
C78 Dy2 C103 133.05(13) . . ?
C101 Dy2 C103 50.11(12) . . ?
Cl1 Dy2 C75 87.08(9) . . ?
Cl2 Dy2 C75 88.16(9) . . ?
C100 Dy2 C75 135.17(12) . . ?
C77 Dy2 C75 50.93(13) . . ?
C76 Dy2 C75 30.66(12) . . ?
C104 Dy2 C75 157.23(12) . . ?
C78 Dy2 C75 50.26(13) . . ?
C101 Dy2 C75 131.21(13) . . ?
C103 Dy2 C75 172.25(12) . . ?
Cl1 Dy2 C102 126.87(9) . . ?
Cl2 Dy2 C102 88.89(9) . . ?
C100 Dy2 C102 50.86(12) . . ?
C77 Dy2 C102 96.79(13) . . ?
C76 Dy2 C102 115.81(13) . . ?
C104 Dy2 C102 50.31(12) . . ?
C78 Dy2 C102 109.33(13) . . ?
C101 Dy2 C102 30.19(12) . . ?
C103 Dy2 C102 30.35(12) . . ?
C75 Dy2 C102 145.87(13) . . ?
Cl1 Dy2 C74 85.69(9) . . ?
Cl2 Dy2 C74 118.22(9) . . ?
C100 Dy2 C74 105.77(12) . . ?
C77 Dy2 C74 50.62(13) . . ?
C76 Dy2 C74 50.10(13) . . ?
C104 Dy2 C74 128.52(12) . . ?
C78 Dy2 C74 30.21(13) . . ?
C101 Dy2 C74 111.68(12) . . ?
C103 Dy2 C74 156.63(13) . . ?
C75 Dy2 C74 30.15(12) . . ?
C102 Dy2 C74 139.41(12) . . ?
Cl2 K1 Cl3 72.22(3) . . ?
Cl2 K1 C3 123.98(9) . . ?
Cl3 K1 C3 98.77(8) . . ?
Cl2 K1 C4 143.80(9) . . ?
Cl3 K1 C4 116.63(8) . . ?
C3 K1 C4 25.32(11) . . ?
Cl2 K1 C58 97.73(8) . . ?
Cl3 K1 C58 153.11(9) . . ?
C3 K1 C58 107.28(12) . . ?
C4 K1 C58 86.46(11) . . ?
Cl2 K1 Cl1 71.07(3) . . ?
Cl3 K1 Cl1 129.55(4) . . ?
C3 K1 Cl1 75.15(9) . . ?
C4 K1 Cl1 78.30(9) . . ?
C58 K1 Cl1 65.60(9) . . ?
Cl2 K1 C57 120.05(9) . . ?
Cl3 K1 C57 144.27(9) . . ?
C3 K1 C57 99.47(12) . . ?
C4 K1 C57 74.69(12) . . ?
C58 K1 C57 24.71(11) . . ?
Cl1 K1 C57 84.92(9) . . ?
Cl2 K1 C53 76.64(8) . . ?
Cl3 K1 C53 130.73(9) . . ?
C3 K1 C53 130.38(11) . . ?
C4 K1 C53 111.14(11) . . ?
C58 K1 C53 24.76(11) . . ?
Cl1 K1 C53 70.74(8) . . ?
C57 K1 C53 43.44(11) . . ?
Cl2 K1 C2 119.50(8) . . ?
Cl3 K1 C2 74.56(8) . . ?
C3 K1 C2 24.86(10) . . ?
C4 K1 C2 44.00(10) . . ?
C58 K1 C2 130.32(11) . . ?
Cl1 K1 C2 95.00(8) . . ?
C57 K1 C2 116.58(11) . . ?
C53 K1 C2 154.64(11) . . ?
Cl2 K1 C5 166.98(9) . . ?
Cl3 K1 C5 107.07(8) . . ?
C3 K1 C5 43.00(11) . . ?
C4 K1 C5 24.56(11) . . ?
C58 K1 C5 88.24(11) . . ?
Cl1 K1 C5 101.32(8) . . ?
C57 K1 C5 68.42(11) . . ?
C53 K1 C5 111.42(11) . . ?
C2 K1 C5 49.38(10) . . ?
Cl2 K1 C54 78.11(8) . . ?
Cl3 K1 C54 110.59(9) . . ?
C3 K1 C54 148.21(12) . . ?
C4 K1 C54 123.85(11) . . ?
C58 K1 C54 42.55(11) . . ?
Cl1 K1 C54 94.30(9) . . ?
C57 K1 C54 49.16(12) . . ?
C53 K1 C54 24.32(11) . . ?
C2 K1 C54 162.04(11) . . ?
C5 K1 C54 113.57(11) . . ?
Cl2 K1 C55 98.83(9) . . ?
Cl3 K1 C55 106.25(9) . . ?
C3 K1 C55 135.44(12) . . ?
C4 K1 C55 110.61(12) . . ?
C58 K1 C55 49.51(12) . . ?
Cl1 K1 C55 112.53(9) . . ?
C57 K1 C55 41.92(12) . . ?
C53 K1 C55 42.89(11) . . ?
C2 K1 C55 138.74(11) . . ?
C5 K1 C55 93.84(11) . . ?
C54 K1 C55 23.95(11) . . ?
Cl3 K2 Cl2 71.54(3) . . ?
Cl3 K2 C90 120.36(9) . . ?
Cl2 K2 C90 99.56(9) . . ?
Cl3 K2 Cl4 71.08(4) . . ?
Cl2 K2 Cl4 128.91(4) . . ?
C90 K2 Cl4 71.64(9) . . ?
Cl3 K2 C91 117.80(8) . . ?
Cl2 K2 C91 75.68(8) . . ?
C90 K2 C91 24.98(11) . . ?
Cl4 K2 C91 92.49(8) . . ?
Cl3 K2 C39 99.11(9) . . ?
Cl2 K2 C39 154.72(9) . . ?
C90 K2 C39 105.30(12) . . ?
Cl4 K2 C39 65.18(8) . . ?
C91 K2 C39 128.12(12) . . ?
Cl3 K2 C89 138.84(10) . . ?
Cl2 K2 C89 118.29(8) . . ?
C90 K2 C89 24.76(11) . . ?
Cl4 K2 C89 73.63(9) . . ?
C91 K2 C89 43.66(11) . . ?
C39 K2 C89 84.50(11) . . ?
Cl3 K2 C34 78.53(8) . . ?
Cl2 K2 C34 132.08(9) . . ?
C90 K2 C34 127.99(12) . . ?
Cl4 K2 C34 70.80(8) . . ?
C91 K2 C34 152.24(11) . . ?
C39 K2 C34 24.69(11) . . ?
C89 K2 C34 108.97(11) . . ?
Cl3 K2 C88 162.90(9) . . ?
Cl2 K2 C88 110.95(8) . . ?
C90 K2 C88 42.93(12) . . ?
Cl4 K2 C88 96.14(9) . . ?
C91 K2 C88 49.72(11) . . ?
C39 K2 C88 85.03(11) . . ?
C89 K2 C88 24.54(11) . . ?
C34 K2 C88 108.60(11) . . ?
Cl3 K2 C35 80.69(9) . . ?
Cl2 K2 C35 112.11(9) . . ?
C90 K2 C35 146.75(12) . . ?
Cl4 K2 C35 94.72(9) . . ?
C91 K2 C35 161.49(12) . . ?
C39 K2 C35 42.60(12) . . ?
C89 K2 C35 123.02(12) . . ?
C34 K2 C35 24.54(11) . . ?
C88 K2 C35 112.43(11) . . ?
Cl3 K2 C38 121.39(9) . . ?
Cl2 K2 C38 146.28(9) . . ?
C90 K2 C38 98.62(12) . . ?
Cl4 K2 C38 83.86(9) . . ?
C91 K2 C38 115.32(11) . . ?
C39 K2 C38 24.26(11) . . ?
C89 K2 C38 74.24(12) . . ?
C34 K2 C38 42.98(11) . . ?
C88 K2 C38 66.48(11) . . ?
C35 K2 C38 48.87(12) . . ?
Cl3 K2 C87 155.85(8) . . ?
Cl2 K2 C87 87.60(8) . . ?
C90 K2 C87 49.94(11) . . ?
Cl4 K2 C87 116.54(9) . . ?
C91 K2 C87 42.46(10) . . ?
C39 K2 C87 104.84(11) . . ?
C89 K2 C87 43.04(11) . . ?
C34 K2 C87 125.44(10) . . ?
C88 K2 C87 23.99(10) . . ?
C35 K2 C87 119.52(11) . . ?
C38 K2 C87 82.73(11) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 3.3(6) . . . . ?
C22 C1 C2 C3 -171.6(4) . . . . ?
K1 C1 C2 C3 67.1(4) . . . . ?
C6 C1 C2 K1 -63.8(3) . . . . ?
C22 C1 C2 K1 121.3(3) . . . . ?
C1 C2 C3 C4 -2.4(7) . . . . ?
K1 C2 C3 C4 71.6(4) . . . . ?
C1 C2 C3 K1 -74.0(4) . . . . ?
C2 C3 C4 C5 -0.6(6) . . . . ?
K1 C3 C4 C5 72.9(4) . . . . ?
C2 C3 C4 C7 178.2(4) . . . . ?
K1 C3 C4 C7 -108.2(4) . . . . ?
C2 C3 C4 K1 -73.5(4) . . . . ?
C3 C4 C5 C6 2.7(6) . . . . ?
C7 C4 C5 C6 -176.2(4) . . . . ?
K1 C4 C5 C6 72.3(4) . . . . ?
C3 C4 C5 K1 -69.6(4) . . . . ?
C7 C4 C5 K1 111.5(4) . . . . ?
C4 C5 C6 C1 -1.7(6) . . . . ?
K1 C5 C6 C1 65.0(4) . . . . ?
C4 C5 C6 K1 -66.8(4) . . . . ?
C2 C1 C6 C5 -1.3(6) . . . . ?
C22 C1 C6 C5 173.5(4) . . . . ?
K1 C1 C6 C5 -61.3(4) . . . . ?
C2 C1 C6 K1 60.0(3) . . . . ?
C22 C1 C6 K1 -125.2(4) . . . . ?
C13 C8 C9 C10 1.5(7) . . . . ?
C23 C8 C9 C10 -178.7(5) . . . . ?
C8 C9 C10 C11 0.0(9) . . . . ?
C9 C10 C11 C12 -0.6(10) . . . . ?
C9 C10 C11 C14 180.0(7) . . . . ?
C10 C11 C12 C13 -0.4(10) . . . . ?
C14 C11 C12 C13 179.1(7) . . . . ?
C9 C8 C13 C12 -2.5(7) . . . . ?
C23 C8 C13 C12 177.7(5) . . . . ?
C11 C12 C13 C8 2.0(9) . . . . ?
C20 C15 C16 C17 -0.2(6) . . . . ?
C25 C15 C16 C17 179.0(4) . . . . ?
C15 C16 C17 C18 -0.1(7) . . . . ?
C16 C17 C18 C19 0.0(7) . . . . ?
C16 C17 C18 C21 -178.2(4) . . . . ?
C17 C18 C19 C20 0.5(7) . . . . ?
C21 C18 C19 C20 178.6(5) . . . . ?
C18 C19 C20 C15 -0.8(7) . . . . ?
C16 C15 C20 C19 0.7(6) . . . . ?
C25 C15 C20 C19 -178.5(4) . . . . ?
C6 C1 C22 C26 -141.6(4) . . . . ?
C2 C1 C22 C26 33.1(6) . . . . ?
K1 C1 C22 C26 119.7(4) . . . . ?
C6 C1 C22 C23 30.7(7) . . . . ?
C2 C1 C22 C23 -154.7(4) . . . . ?
K1 C1 C22 C23 -68.0(5) . . . . ?
C6 C1 C22 Dy1 128.9(4) . . . . ?
C2 C1 C22 Dy1 -56.5(5) . . . . ?
K1 C1 C22 Dy1 30.2(4) . . . . ?
C26 C22 C23 C24 -0.7(4) . . . . ?
C1 C22 C23 C24 -173.9(4) . . . . ?
Dy1 C22 C23 C24 65.5(3) . . . . ?
C26 C22 C23 C8 171.0(4) . . . . ?
C1 C22 C23 C8 -2.1(7) . . . . ?
Dy1 C22 C23 C8 -122.8(4) . . . . ?
C26 C22 C23 Dy1 -66.2(3) . . . . ?
C1 C22 C23 Dy1 120.7(4) . . . . ?
C13 C8 C23 C24 40.7(6) . . . . ?
C9 C8 C23 C24 -139.1(5) . . . . ?
C13 C8 C23 C22 -129.9(5) . . . . ?
C9 C8 C23 C22 50.3(7) . . . . ?
C13 C8 C23 Dy1 130.9(4) . . . . ?
C9 C8 C23 Dy1 -48.9(6) . . . . ?
C22 C23 C24 C25 1.3(5) . . . . ?
C8 C23 C24 C25 -171.2(4) . . . . ?
Dy1 C23 C24 C25 68.2(3) . . . . ?
C22 C23 C24 Dy1 -66.9(3) . . . . ?
C8 C23 C24 Dy1 120.6(4) . . . . ?
C23 C24 C25 C26 -1.3(5) . . . . ?
Dy1 C24 C25 C26 68.6(3) . . . . ?
C23 C24 C25 C15 176.3(4) . . . . ?
Dy1 C24 C25 C15 -113.9(4) . . . . ?
C23 C24 C25 Dy1 -69.9(3) . . . . ?
C16 C15 C25 C26 -6.2(6) . . . . ?
C20 C15 C25 C26 172.9(4) . . . . ?
C16 C15 C25 C24 176.7(4) . . . . ?
C20 C15 C25 C24 -4.2(6) . . . . ?
C16 C15 C25 Dy1 85.4(4) . . . . ?
C20 C15 C25 Dy1 -95.5(4) . . . . ?
C23 C22 C26 C25 -0.1(5) . . . . ?
C1 C22 C26 C25 173.7(4) . . . . ?
Dy1 C22 C26 C25 -67.8(3) . . . . ?
C23 C22 C26 Dy1 67.7(3) . . . . ?
C1 C22 C26 Dy1 -118.5(4) . . . . ?
C24 C25 C26 C22 0.9(4) . . . . ?
C15 C25 C26 C22 -176.8(4) . . . . ?
Dy1 C25 C26 C22 69.2(3) . . . . ?
C24 C25 C26 Dy1 -68.3(3) . . . . ?
C15 C25 C26 Dy1 114.1(4) . . . . ?
C32 C27 C28 C29 0.9(7) . . . . ?
C52 C27 C28 C29 -178.8(4) . . . . ?
C27 C28 C29 C30 1.2(8) . . . . ?
C28 C29 C30 C31 -3.0(7) . . . . ?
C28 C29 C30 C33 177.4(5) . . . . ?
C29 C30 C31 C32 2.8(7) . . . . ?
C33 C30 C31 C32 -177.6(5) . . . . ?
C30 C31 C32 C27 -0.8(8) . . . . ?
C28 C27 C32 C31 -1.1(7) . . . . ?
C52 C27 C32 C31 178.6(4) . . . . ?
C39 C34 C35 C36 0.8(6) . . . . ?
C48 C34 C35 C36 -179.6(4) . . . . ?
K2 C34 C35 C36 69.6(4) . . . . ?
C39 C34 C35 K2 -68.9(3) . . . . ?
C48 C34 C35 K2 110.7(4) . . . . ?
C34 C35 C36 C37 1.2(7) . . . . ?
K2 C35 C36 C37 69.0(4) . . . . ?
C34 C35 C36 K2 -67.8(4) . . . . ?
C35 C36 C37 C38 -1.9(7) . . . . ?
K2 C36 C37 C38 64.6(4) . . . . ?
C35 C36 C37 C40 176.5(5) . . . . ?
K2 C36 C37 C40 -117.0(4) . . . . ?
C35 C36 C37 K2 -66.5(4) . . . . ?
C36 C37 C38 C39 0.7(7) . . . . ?
C40 C37 C38 C39 -177.8(4) . . . . ?
K2 C37 C38 C39 65.9(4) . . . . ?
C36 C37 C38 K2 -65.3(4) . . . . ?
C40 C37 C38 K2 116.3(4) . . . . ?
C37 C38 C39 C34 1.3(7) . . . . ?
K2 C38 C39 C34 70.6(4) . . . . ?
C37 C38 C39 K2 -69.3(4) . . . . ?
C35 C34 C39 C38 -2.0(6) . . . . ?
C48 C34 C39 C38 178.4(4) . . . . ?
K2 C34 C39 C38 -71.9(4) . . . . ?
C35 C34 C39 K2 69.9(3) . . . . ?
C48 C34 C39 K2 -109.7(4) . . . . ?
C46 C41 C42 C43 -0.3(8) . . . . ?
C50 C41 C42 C43 178.8(5) . . . . ?
C41 C42 C43 C44 -0.4(9) . . . . ?
C42 C43 C44 C45 1.3(10) . . . . ?
C42 C43 C44 C47 179.0(7) . . . . ?
C43 C44 C45 C46 -1.6(11) . . . . ?
C47 C44 C45 C46 -179.3(7) . . . . ?
C42 C41 C46 C45 0.0(8) . . . . ?
C50 C41 C46 C45 -179.1(5) . . . . ?
C44 C45 C46 C41 1.0(10) . . . . ?
C39 C34 C48 C49 163.8(4) . . . . ?
C35 C34 C48 C49 -15.8(6) . . . . ?
K2 C34 C48 C49 74.5(5) . . . . ?
C39 C34 C48 C52 -18.5(7) . . . . ?
C35 C34 C48 C52 161.8(4) . . . . ?
K2 C34 C48 C52 -107.8(4) . . . . ?
C39 C34 C48 Dy1 75.8(5) . . . . ?
C35 C34 C48 Dy1 -103.8(4) . . . . ?
K2 C34 C48 Dy1 -13.4(4) . . . . ?
C52 C48 C49 C50 -0.1(5) . . . . ?
C34 C48 C49 C50 177.9(4) . . . . ?
Dy1 C48 C49 C50 -68.1(3) . . . . ?
C52 C48 C49 Dy1 68.0(3) . . . . ?
C34 C48 C49 Dy1 -113.9(4) . . . . ?
C48 C49 C50 C51 1.5(5) . . . . ?
Dy1 C49 C50 C51 -68.7(3) . . . . ?
C48 C49 C50 C41 -176.5(4) . . . . ?
Dy1 C49 C50 C41 113.3(4) . . . . ?
C48 C49 C50 Dy1 70.2(3) . . . . ?
C46 C41 C50 C51 -14.9(7) . . . . ?
C42 C41 C50 C51 166.0(5) . . . . ?
C46 C41 C50 C49 162.7(5) . . . . ?
C42 C41 C50 C49 -16.4(7) . . . . ?
C46 C41 C50 Dy1 -106.8(5) . . . . ?
C42 C41 C50 Dy1 74.2(5) . . . . ?
C49 C50 C51 C52 -2.4(5) . . . . ?
C41 C50 C51 C52 175.5(4) . . . . ?
Dy1 C50 C51 C52 -71.1(3) . . . . ?
C49 C50 C51 Dy1 68.7(3) . . . . ?
C41 C50 C51 Dy1 -113.4(4) . . . . ?
C50 C51 C52 C48 2.3(5) . . . . ?
Dy1 C51 C52 C48 -66.1(3) . . . . ?
C50 C51 C52 C27 -170.0(4) . . . . ?
Dy1 C51 C52 C27 121.6(4) . . . . ?
C50 C51 C52 Dy1 68.4(3) . . . . ?
C49 C48 C52 C51 -1.3(5) . . . . ?
C34 C48 C52 C51 -179.3(4) . . . . ?
Dy1 C48 C52 C51 64.3(3) . . . . ?
C49 C48 C52 C27 170.6(4) . . . . ?
C34 C48 C52 C27 -7.4(7) . . . . ?
Dy1 C48 C52 C27 -123.8(4) . . . . ?
C49 C48 C52 Dy1 -65.6(3) . . . . ?
C34 C48 C52 Dy1 116.4(4) . . . . ?
C28 C27 C52 C51 -69.2(6) . . . . ?
C32 C27 C52 C51 111.2(5) . . . . ?
C28 C27 C52 C48 120.2(5) . . . . ?
C32 C27 C52 C48 -59.5(6) . . . . ?
C28 C27 C52 Dy1 22.0(6) . . . . ?
C32 C27 C52 Dy1 -157.7(3) . . . . ?
C58 C53 C54 C55 -0.9(7) . . . . ?
C75 C53 C54 C55 -179.9(4) . . . . ?
K1 C53 C54 C55 67.2(4) . . . . ?
C58 C53 C54 K1 -68.1(3) . . . . ?
C75 C53 C54 K1 112.9(4) . . . . ?
C53 C54 C55 C56 1.5(7) . . . . ?
K1 C54 C55 C56 67.4(4) . . . . ?
C53 C54 C55 K1 -65.9(4) . . . . ?
C54 C55 C56 C57 -0.9(7) . . . . ?
K1 C55 C56 C57 66.0(4) . . . . ?
C54 C55 C56 C59 177.7(4) . . . . ?
K1 C55 C56 C59 -115.4(4) . . . . ?
C54 C55 C56 K1 -67.0(4) . . . . ?
C55 C56 C57 C58 -0.3(7) . . . . ?
C59 C56 C57 C58 -178.9(4) . . . . ?
K1 C56 C57 C58 67.3(4) . . . . ?
C55 C56 C57 K1 -67.5(4) . . . . ?
C59 C56 C57 K1 113.9(4) . . . . ?
C56 C57 C58 C53 0.9(7) . . . . ?
K1 C57 C58 C53 70.5(4) . . . . ?
C56 C57 C58 K1 -69.6(4) . . . . ?
C54 C53 C58 C57 -0.3(6) . . . . ?
C75 C53 C58 C57 178.7(4) . . . . ?
K1 C53 C58 C57 -70.5(4) . . . . ?
C54 C53 C58 K1 70.2(4) . . . . ?
C75 C53 C58 K1 -110.8(4) . . . . ?
C65 C60 C61 C62 1.6(7) . . . . ?
C77 C60 C61 C62 -177.1(4) . . . . ?
C60 C61 C62 C63 0.7(8) . . . . ?
C61 C62 C63 C64 -1.2(8) . . . . ?
C61 C62 C63 C66 176.7(5) . . . . ?
C62 C63 C64 C65 -0.7(8) . . . . ?
C66 C63 C64 C65 -178.6(5) . . . . ?
C63 C64 C65 C60 3.1(8) . . . . ?
C61 C60 C65 C64 -3.5(7) . . . . ?
C77 C60 C65 C64 175.3(5) . . . . ?
C72 C67 C68 C69 -2.6(7) . . . . ?
C74 C67 C68 C69 -175.8(5) . . . . ?
C67 C68 C69 C70 1.4(8) . . . . ?
C68 C69 C70 C71 -0.1(8) . . . . ?
C68 C69 C70 C73 -179.9(5) . . . . ?
C69 C70 C71 C72 0.1(8) . . . . ?
C73 C70 C71 C72 180.0(6) . . . . ?
C68 C67 C72 C71 2.6(8) . . . . ?
C74 C67 C72 C71 175.7(5) . . . . ?
C70 C71 C72 C67 -1.4(9) . . . . ?
C68 C67 C74 C78 111.8(5) . . . . ?
C72 C67 C74 C78 -61.1(6) . . . . ?
C68 C67 C74 C75 -59.8(6) . . . . ?
C72 C67 C74 C75 127.3(5) . . . . ?
C68 C67 C74 Dy2 -158.6(3) . . . . ?
C72 C67 C74 Dy2 28.5(6) . . . . ?
C78 C74 C75 C76 -1.8(5) . . . . ?
C67 C74 C75 C76 170.8(4) . . . . ?
Dy2 C74 C75 C76 -65.4(3) . . . . ?
C78 C74 C75 C53 179.6(4) . . . . ?
C67 C74 C75 C53 -7.8(7) . . . . ?
Dy2 C74 C75 C53 115.9(4) . . . . ?
C78 C74 C75 Dy2 63.7(3) . . . . ?
C67 C74 C75 Dy2 -123.7(4) . . . . ?
C54 C53 C75 C76 -15.6(6) . . . . ?
C58 C53 C75 C76 165.5(4) . . . . ?
K1 C53 C75 C76 76.9(5) . . . . ?
C54 C53 C75 C74 162.8(4) . . . . ?
C58 C53 C75 C74 -16.1(7) . . . . ?
K1 C53 C75 C74 -104.7(4) . . . . ?
C54 C53 C75 Dy2 -102.3(4) . . . . ?
C58 C53 C75 Dy2 78.7(4) . . . . ?
K1 C53 C75 Dy2 -9.8(4) . . . . ?
C74 C75 C76 C77 0.1(5) . . . . ?
C53 C75 C76 C77 178.8(4) . . . . ?
Dy2 C75 C76 C77 -68.3(3) . . . . ?
C74 C75 C76 Dy2 68.4(3) . . . . ?
C53 C75 C76 Dy2 -112.9(4) . . . . ?
C75 C76 C77 C78 1.5(5) . . . . ?
Dy2 C76 C77 C78 -68.9(3) . . . . ?
C75 C76 C77 C60 179.7(4) . . . . ?
Dy2 C76 C77 C60 109.2(4) . . . . ?
C75 C76 C77 Dy2 70.5(3) . . . . ?
C61 C60 C77 C76 -17.2(7) . . . . ?
C65 C60 C77 C76 164.1(4) . . . . ?
C61 C60 C77 C78 160.6(4) . . . . ?
C65 C60 C77 C78 -18.1(7) . . . . ?
C61 C60 C77 Dy2 71.8(5) . . . . ?
C65 C60 C77 Dy2 -106.9(4) . . . . ?
C75 C74 C78 C77 2.8(5) . . . . ?
C67 C74 C78 C77 -170.4(4) . . . . ?
Dy2 C74 C78 C77 68.3(3) . . . . ?
C75 C74 C78 Dy2 -65.5(3) . . . . ?
C67 C74 C78 Dy2 121.3(4) . . . . ?
C76 C77 C78 C74 -2.7(5) . . . . ?
C60 C77 C78 C74 179.2(4) . . . . ?
Dy2 C77 C78 C74 -71.4(3) . . . . ?
C76 C77 C78 Dy2 68.8(3) . . . . ?
C60 C77 C78 Dy2 -109.4(4) . . . . ?
C84 C79 C80 C81 -1.1(6) . . . . ?
C102 C79 C80 C81 178.1(4) . . . . ?
C79 C80 C81 C82 1.4(7) . . . . ?
C80 C81 C82 C83 -0.5(7) . . . . ?
C80 C81 C82 C85 179.4(5) . . . . ?
C81 C82 C83 C84 -0.7(7) . . . . ?
C85 C82 C83 C84 179.5(5) . . . . ?
C80 C79 C84 C83 0.0(6) . . . . ?
C102 C79 C84 C83 -179.2(4) . . . . ?
C82 C83 C84 C79 0.9(7) . . . . ?
C91 C86 C87 C88 -2.6(6) . . . . ?
C103 C86 C87 C88 171.0(4) . . . . ?
K2 C86 C87 C88 -65.7(4) . . . . ?
C91 C86 C87 K2 63.1(4) . . . . ?
C103 C86 C87 K2 -123.3(4) . . . . ?
C86 C87 C88 C89 0.0(7) . . . . ?
K2 C87 C88 C89 -67.2(4) . . . . ?
C86 C87 C88 K2 67.2(4) . . . . ?
C87 C88 C89 C90 2.0(7) . . . . ?
K2 C88 C89 C90 -67.3(4) . . . . ?
C87 C88 C89 C92 -177.8(4) . . . . ?
K2 C88 C89 C92 112.9(4) . . . . ?
C87 C88 C89 K2 69.2(4) . . . . ?
C88 C89 C90 C91 -1.3(7) . . . . ?
C92 C89 C90 C91 178.5(4) . . . . ?
K2 C89 C90 C91 -70.4(4) . . . . ?
C88 C89 C90 K2 69.1(4) . . . . ?
C92 C89 C90 K2 -111.1(4) . . . . ?
C87 C86 C91 C90 3.3(6) . . . . ?
C103 C86 C91 C90 -170.4(4) . . . . ?
K2 C86 C91 C90 68.6(4) . . . . ?
C87 C86 C91 K2 -65.3(4) . . . . ?
C103 C86 C91 K2 120.9(4) . . . . ?
C89 C90 C91 C86 -1.4(7) . . . . ?
K2 C90 C91 C86 -72.1(4) . . . . ?
C89 C90 C91 K2 70.7(4) . . . . ?
C98 C93 C94 C95 -3.0(6) . . . . ?
C100 C93 C94 C95 176.4(4) . . . . ?
C93 C94 C95 C96 0.9(7) . . . . ?
C94 C95 C96 C97 1.7(7) . . . . ?
C94 C95 C96 C99 -177.3(5) . . . . ?
C95 C96 C97 C98 -2.2(7) . . . . ?
C99 C96 C97 C98 176.8(5) . . . . ?
C96 C97 C98 C93 0.0(7) . . . . ?
C94 C93 C98 C97 2.5(6) . . . . ?
C100 C93 C98 C97 -176.8(4) . . . . ?
C98 C93 C100 C104 -2.0(7) . . . . ?
C94 C93 C100 C104 178.6(4) . . . . ?
C98 C93 C100 C101 179.3(4) . . . . ?
C94 C93 C100 C101 0.0(7) . . . . ?
C98 C93 C100 Dy2 88.4(4) . . . . ?
C94 C93 C100 Dy2 -91.0(4) . . . . ?
C104 C100 C101 C102 -0.8(5) . . . . ?
C93 C100 C101 C102 178.1(4) . . . . ?
Dy2 C100 C101 C102 -70.0(3) . . . . ?
C104 C100 C101 Dy2 69.2(3) . . . . ?
C93 C100 C101 Dy2 -111.9(4) . . . . ?
C100 C101 C102 C103 0.9(5) . . . . ?
Dy2 C101 C102 C103 -66.3(3) . . . . ?
C100 C101 C102 C79 -172.2(4) . . . . ?
Dy2 C101 C102 C79 120.7(4) . . . . ?
C100 C101 C102 Dy2 67.1(3) . . . . ?
C84 C79 C102 C101 -134.3(4) . . . . ?
C80 C79 C102 C101 46.5(6) . . . . ?
C84 C79 C102 C103 54.3(6) . . . . ?
C80 C79 C102 C103 -124.8(5) . . . . ?
C84 C79 C102 Dy2 -43.5(5) . . . . ?
C80 C79 C102 Dy2 137.3(3) . . . . ?
C101 C102 C103 C104 -0.6(5) . . . . ?
C79 C102 C103 C104 171.9(4) . . . . ?
Dy2 C102 C103 C104 -65.6(3) . . . . ?
C101 C102 C103 C86 -173.4(4) . . . . ?
C79 C102 C103 C86 -0.9(7) . . . . ?
Dy2 C102 C103 C86 121.6(4) . . . . ?
C101 C102 C103 Dy2 65.0(3) . . . . ?
C79 C102 C103 Dy2 -122.5(4) . . . . ?
C91 C86 C103 C104 34.4(6) . . . . ?
C87 C86 C103 C104 -139.0(4) . . . . ?
K2 C86 C103 C104 124.3(4) . . . . ?
C91 C86 C103 C102 -153.7(4) . . . . ?
C87 C86 C103 C102 32.9(7) . . . . ?
K2 C86 C103 C102 -63.9(5) . . . . ?
C91 C86 C103 Dy2 -54.4(5) . . . . ?
C87 C86 C103 Dy2 132.2(3) . . . . ?
K2 C86 C103 Dy2 35.4(4) . . . . ?
C101 C100 C104 C103 0.4(5) . . . . ?
C93 C100 C104 C103 -178.5(4) . . . . ?
Dy2 C100 C104 C103 70.1(3) . . . . ?
C101 C100 C104 Dy2 -69.7(3) . . . . ?
C93 C100 C104 Dy2 111.5(4) . . . . ?
C102 C103 C104 C100 0.1(5) . . . . ?
C86 C103 C104 C100 173.6(4) . . . . ?
Dy2 C103 C104 C100 -67.9(3) . . . . ?
C102 C103 C104 Dy2 68.1(3) . . . . ?
C86 C103 C104 Dy2 -118.5(4) . . . . ?
C110 C105 C106 C107 -3.3(16) . . . . ?
C105 C106 C107 C108 0.4(15) . . . . ?
C106 C107 C108 C109 0.5(15) . . . . ?
C106 C107 C108 C111 178.6(10) . . . . ?
C107 C108 C109 C110 1.4(16) . . . . ?
C111 C108 C109 C110 -176.6(10) . . . . ?
C106 C105 C110 C109 5.0(14) . . . . ?
C108 C109 C110 C105 -4.2(15) . . . . ?
C117 C112 C113 C114 -0.7(11) . . . . ?
C112 C113 C114 C115 3.2(12) . . . . ?
C113 C114 C115 C116 -3.1(12) . . . . ?
C114 C115 C116 C117 0.7(12) . . . . ?
C113 C112 C117 C116 -1.7(10) . . . . ?
C113 C112 C117 C118 178.2(6) . . . . ?
C115 C116 C117 C112 1.7(10) . . . . ?
C115 C116 C117 C118 -178.2(7) . . . . ?
C125 C120 C121 C122 2.3(14) . . . . ?
C119 C120 C121 C122 -177.0(9) . . . . ?
C120 C121 C122 C123 -0.8(14) . . . . ?
C121 C122 C123 C124 0.4(13) . . . . ?
C122 C123 C124 C125 -1.5(13) . . . . ?
C121 C120 C125 C124 -3.4(14) . . . . ?
C119 C120 C125 C124 175.9(9) . . . . ?
C123 C124 C125 C120 3.1(14) . . . . ?

_refine_diff_density_max         1.316
_refine_diff_density_min         -0.961
_refine_diff_density_rms         0.103

_shelxl_version_number           2014-3


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Toluene'
####################################################################### 
# 
# 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_Dy_Cp
_database_code_depnum_ccdc_archive 'CCDC 2007965'
loop_
_audit_author_name
_audit_author_address
'Pulikanti Guruprasad Reddy'
;Department of Chemistry, Indian Institute of Science Education and Research Tirupati
India
;
_audit_update_record             
;
2020-06-04 deposited with the CCDC.	2020-10-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C100 H84 Cl4 Dy2 K2), 7(C7 H8)'
_chemical_formula_sum            'C249 H224 Cl8 Dy4 K4'
_chemical_formula_weight         4306.27

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.0406(5)
_cell_length_b                   18.9527(6)
_cell_length_c                   21.4668(8)
_cell_angle_alpha                65.2020(10)
_cell_angle_beta                 78.557(2)
_cell_angle_gamma                67.6990(10)
_cell_volume                     5134.0(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9255
_cell_measurement_theta_min      2.47
_cell_measurement_theta_max      27.08

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.393
_exptl_crystal_F_000             2194
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    1.680
_shelx_estimated_absorpt_T_min   0.850
_shelx_estimated_absorpt_T_max   0.906
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.850
_exptl_absorpt_correction_T_max  0.906
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            77619
_diffrn_reflns_av_unetI/netI     0.0322
_diffrn_reflns_av_R_equivalents  0.0346
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.046
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             18058
_reflns_number_gt                15124
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0340P)²+5.3446P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         18058
_refine_ls_number_parameters     1302
_refine_ls_number_restraints     898
_refine_ls_R_factor_all          0.0386
_refine_ls_R_factor_gt           0.0280
_refine_ls_wR_factor_ref         0.0763
_refine_ls_wR_factor_gt          0.0667
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.6022(3) -0.1015(2) 0.4979(2) 0.0406(10) Uani 1 1 d . . . . .
H1 H 0.570590 -0.043527 0.481386 0.049 Uiso 1 1 calc R U . . .
C2 C 0.5818(3) -0.1497(3) 0.5644(2) 0.0513(11) Uani 1 1 d . . . . .
H2 H 0.535572 -0.124611 0.592688 0.062 Uiso 1 1 calc R U . . .
C3 C 0.6275(3) -0.2333(2) 0.5899(2) 0.0471(11) Uani 1 1 d . . . . .
H3 H 0.612967 -0.266239 0.635563 0.056 Uiso 1 1 calc R U . . .
C4 C 0.6941(3) -0.2685(2) 0.5489(2) 0.0489(11) Uani 1 1 d . . . . .
H4 H 0.727119 -0.326294 0.566491 0.059 Uiso 1 1 calc R U . . .
C5 C 0.7143(3) -0.2210(2) 0.4818(2) 0.0404(10) Uani 1 1 d . . . . .
H5 H 0.760371 -0.246733 0.453862 0.048 Uiso 1 1 calc R U . . .
C6 C 0.6678(2) -0.13610(19) 0.45494(18) 0.0284(8) Uani 1 1 d . . . . .
C7 C 0.6837(2) -0.08500(19) 0.38236(17) 0.0260(7) Uani 1 1 d . . . . .
C8 C 0.7593(2) -0.10651(19) 0.33537(17) 0.0274(8) Uani 1 1 d . . . . .
H8 H 0.814226 -0.155039 0.346769 0.033 Uiso 1 1 calc R U . . .
C9 C 0.7402(2) -0.0446(2) 0.26910(17) 0.0273(8) Uani 1 1 d . . . . .
C10 C 0.6534(2) 0.01910(19) 0.27439(17) 0.0249(7) Uani 1 1 d . . . . .
C11 C 0.6199(2) -0.00737(19) 0.34431(17) 0.0258(7) Uani 1 1 d . . . . .
H11 H 0.562888 0.022855 0.362702 0.031 Uiso 1 1 calc R U . . .
C12 C 0.7969(3) -0.0549(2) 0.20622(18) 0.0298(8) Uani 1 1 d . . . . .
C13 C 0.8924(3) -0.0621(2) 0.1941(2) 0.0419(10) Uani 1 1 d . . . . .
H13 H 0.924561 -0.059282 0.226474 0.050 Uiso 1 1 calc R U . . .
C14 C 0.9433(3) -0.0734(3) 0.1352(2) 0.0512(11) Uani 1 1 d . . . . .
H14 H 1.009157 -0.077544 0.127927 0.061 Uiso 1 1 calc R U . . .
C15 C 0.8998(4) -0.0785(3) 0.0877(2) 0.0534(12) Uani 1 1 d . . . . .
C16 C 0.8059(4) -0.0737(3) 0.1002(2) 0.0597(13) Uani 1 1 d . . . . .
H16 H 0.774891 -0.078565 0.068388 0.072 Uiso 1 1 calc R U . . .
C17 C 0.7538(3) -0.0618(2) 0.1587(2) 0.0474(11) Uani 1 1 d . . . . .
H17 H 0.688207 -0.058459 0.165864 0.057 Uiso 1 1 calc R U . . .
C18 C 0.9538(4) -0.0882(3) 0.0221(2) 0.0841(19) Uani 1 1 d . . . . .
H18A H 0.922939 -0.040253 -0.017903 0.126 Uiso 1 1 calc R U . . .
H18B H 0.952412 -0.138317 0.019787 0.126 Uiso 1 1 calc R U . . .
H18C H 1.020655 -0.092143 0.022133 0.126 Uiso 1 1 calc R U . . .
C19 C 0.9917(3) -0.2283(2) 0.4000(2) 0.0511(11) Uani 1 1 d . . . . .
H19 H 0.945889 -0.241412 0.436493 0.061 Uiso 1 1 calc R U . . .
C20 C 1.0464(4) -0.2865(3) 0.3726(3) 0.0679(15) Uani 1 1 d . . . . .
H20 H 1.037799 -0.338738 0.390074 0.081 Uiso 1 1 calc R U . . .
C21 C 1.1126(4) -0.2692(3) 0.3204(3) 0.0749(16) Uani 1 1 d . . . . .
H21 H 1.149557 -0.308874 0.300990 0.090 Uiso 1 1 calc R U . . .
C22 C 1.1260(3) -0.1944(4) 0.2961(3) 0.0694(15) Uani 1 1 d . . . . .
H22 H 1.173210 -0.182892 0.260301 0.083 Uiso 1 1 calc R U . . .
C23 C 1.0710(3) -0.1347(3) 0.3233(2) 0.0534(12) Uani 1 1 d . . . . .
H23 H 1.081008 -0.083138 0.305892 0.064 Uiso 1 1 calc R U . . .
C24 C 1.0018(3) -0.1507(2) 0.3755(2) 0.0382(9) Uani 1 1 d . . . . .
C25 C 0.9435(2) -0.0889(2) 0.40528(19) 0.0321(8) Uani 1 1 d . . . . .
C26 C 0.8735(2) -0.0988(2) 0.46013(18) 0.0319(8) Uani 1 1 d . . . . .
H26 H 0.853603 -0.145826 0.482185 0.038 Uiso 1 1 calc R U . . .
C27 C 0.8379(2) -0.0288(2) 0.47722(17) 0.0295(8) Uani 1 1 d . . . . .
C28 C 0.8864(2) 0.0275(2) 0.43166(18) 0.0305(8) Uani 1 1 d . . . . .
C29 C 0.9506(2) -0.0110(2) 0.38835(18) 0.0313(8) Uani 1 1 d . . . . .
H29 H 0.992290 0.012299 0.353101 0.038 Uiso 1 1 calc R U . . .
C30 C 0.8808(2) 0.1068(2) 0.43171(19) 0.0311(8) Uani 1 1 d . . . . .
C31 C 0.8597(3) 0.1237(2) 0.4912(2) 0.0399(9) Uani 1 1 d . . . . .
H31 H 0.844154 0.084455 0.533010 0.048 Uiso 1 1 calc R U . . .
C32 C 0.8611(3) 0.1969(3) 0.4903(2) 0.0462(11) Uani 1 1 d . . . . .
H32 H 0.846065 0.206904 0.531604 0.055 Uiso 1 1 calc R U . . .
C33 C 0.8840(3) 0.2558(2) 0.4306(2) 0.0470(11) Uani 1 1 d . . . . .
C34 C 0.9044(3) 0.2391(2) 0.3713(2) 0.0438(10) Uani 1 1 d . . . . .
H34 H 0.920217 0.278336 0.329615 0.053 Uiso 1 1 calc R U . . .
C35 C 0.9023(3) 0.1670(2) 0.3711(2) 0.0372(9) Uani 1 1 d . . . . .
H35 H 0.915740 0.158023 0.329419 0.045 Uiso 1 1 calc R U . . .
C36 C 0.8860(4) 0.3352(3) 0.4302(3) 0.0694(15) Uani 1 1 d . . . . .
H36A H 0.865684 0.337325 0.475883 0.104 Uiso 1 1 calc R U . . .
H36B H 0.842050 0.382270 0.396298 0.104 Uiso 1 1 calc R U . . .
H36C H 0.951431 0.337546 0.418239 0.104 Uiso 1 1 calc R U . . .
C37 C 0.4092(3) 0.7923(2) 0.2110(2) 0.0415(10) Uani 1 1 d . . . . .
H37 H 0.348328 0.788398 0.210312 0.050 Uiso 1 1 calc R U . . .
C38 C 0.4233(4) 0.8682(3) 0.1767(2) 0.0584(13) Uani 1 1 d . . . . .
H38 H 0.372220 0.915172 0.152653 0.070 Uiso 1 1 calc R U . . .
C39 C 0.5092(4) 0.8761(3) 0.1773(3) 0.0696(15) Uani 1 1 d . . . . .
H39 H 0.517824 0.928323 0.154692 0.084 Uiso 1 1 calc R U . . .
C40 C 0.5833(4) 0.8078(3) 0.2108(3) 0.0695(15) Uani 1 1 d . . . . .
H40 H 0.643849 0.812565 0.210994 0.083 Uiso 1 1 calc R U . . .
C41 C 0.5701(3) 0.7316(3) 0.2445(2) 0.0509(11) Uani 1 1 d . . . . .
H41 H 0.622314 0.684686 0.267086 0.061 Uiso 1 1 calc R U . . .
C42 C 0.4822(3) 0.7226(2) 0.24586(19) 0.0338(9) Uani 1 1 d . . . . .
C43 C 0.4664(2) 0.64286(19) 0.28541(17) 0.0260(7) Uani 1 1 d . . . . .
C44 C 0.5247(2) 0.5749(2) 0.33671(17) 0.0257(7) Uani 1 1 d . . . . .
H44 H 0.585602 0.570043 0.347394 0.031 Uiso 1 1 calc R U . . .
C45 C 0.4788(2) 0.51458(19) 0.37009(16) 0.0230(7) Uani 1 1 d . . . . .
C46 C 0.3896(2) 0.54627(19) 0.33788(16) 0.0234(7) Uani 1 1 d . . . . .
C47 C 0.3847(2) 0.62360(19) 0.28542(17) 0.0263(7) Uani 1 1 d . . . . .
H47 H 0.333876 0.657579 0.254735 0.032 Uiso 1 1 calc R U . . .
C48 C 0.3056(2) 0.51704(19) 0.36165(17) 0.0236(7) Uani 1 1 d . . . . .
C49 C 0.2666(2) 0.5046(2) 0.42874(18) 0.0317(8) Uani 1 1 d . . . . .
H49 H 0.297939 0.510047 0.459993 0.038 Uiso 1 1 calc R U . . .
C50 C 0.1837(3) 0.4848(2) 0.4502(2) 0.0376(9) Uani 1 1 d . . . . .
H50 H 0.159118 0.476477 0.496133 0.045 Uiso 1 1 calc R U . . .
C51 C 0.1357(2) 0.4767(2) 0.4066(2) 0.0343(9) Uani 1 1 d . . . . .
C52 C 0.1734(3) 0.4892(2) 0.3402(2) 0.0356(9) Uani 1 1 d . . . . .
H52 H 0.141267 0.484386 0.308996 0.043 Uiso 1 1 calc R U . . .
C53 C 0.2568(2) 0.5084(2) 0.31837(18) 0.0297(8) Uani 1 1 d . . . . .
H53 H 0.281463 0.515946 0.272565 0.036 Uiso 1 1 calc R U . . .
C54 C 0.0461(3) 0.4522(3) 0.4305(3) 0.0597(13) Uani 1 1 d . . . . .
H54A H 0.042412 0.427042 0.480745 0.090 Uiso 1 1 calc R U . . .
H54B H 0.048697 0.412583 0.411483 0.090 Uiso 1 1 calc R U . . .
H54C H -0.010917 0.501303 0.414556 0.090 Uiso 1 1 calc R U . . .
C55 C 0.5159(2) 0.4372(2) 0.42954(17) 0.0251(7) Uani 1 1 d . . . . .
C56 C 0.5852(3) 0.4291(2) 0.46915(18) 0.0333(8) Uani 1 1 d . . . . .
H56 H 0.609070 0.473232 0.456468 0.040 Uiso 1 1 calc R U . . .
C57 C 0.6200(3) 0.3585(2) 0.52632(19) 0.0411(10) Uani 1 1 d . . . . .
H57 H 0.667703 0.355032 0.551670 0.049 Uiso 1 1 calc R U . . .
C58 C 0.5866(3) 0.2933(2) 0.54702(18) 0.0383(9) Uani 1 1 d . . . . .
C59 C 0.5175(3) 0.3002(2) 0.50838(19) 0.0362(9) Uani 1 1 d . . . . .
H59 H 0.493247 0.256089 0.521790 0.043 Uiso 1 1 calc R U . . .
C60 C 0.4831(2) 0.3706(2) 0.45045(17) 0.0298(8) Uani 1 1 d . . . . .
H60 H 0.436500 0.373471 0.424646 0.036 Uiso 1 1 calc R U . . .
C61 C 0.6240(4) 0.2169(3) 0.6112(2) 0.0573(13) Uani 1 1 d . . . . .
H61A H 0.665764 0.170868 0.597834 0.086 Uiso 1 1 calc R U . . .
H61B H 0.569557 0.202345 0.640371 0.086 Uiso 1 1 calc R U . . .
H61C H 0.660624 0.228310 0.636724 0.086 Uiso 1 1 calc R U . . .
C62 C 0.7728(3) -0.0229(2) 0.53842(18) 0.0316(8) Uani 1 1 d . . . . .
C63 C 0.8075(3) -0.0753(3) 0.6030(2) 0.0531(12) Uani 1 1 d . . . . .
H63 H 0.869718 -0.115698 0.607216 0.064 Uiso 1 1 calc R U . . .
C64 C 0.7517(4) -0.0692(3) 0.6618(2) 0.0620(13) Uani 1 1 d . . . . .
H64 H 0.777385 -0.105124 0.705583 0.074 Uiso 1 1 calc R U . . .
C65 C 0.6612(3) -0.0131(3) 0.6584(2) 0.0435(10) Uani 1 1 d . . . . .
C66 C 0.6250(3) 0.0366(2) 0.5942(2) 0.0410(9) Uani 1 1 d . . . . .
H66 H 0.561229 0.074596 0.590259 0.049 Uiso 1 1 calc R U . . .
C67 C 0.6803(3) 0.0320(2) 0.53529(19) 0.0371(9) Uani 1 1 d . . . . .
H67 H 0.653963 0.067516 0.491698 0.044 Uiso 1 1 calc R U . . .
C68 C 0.6039(4) -0.0018(3) 0.7224(2) 0.0611(13) Uani 1 1 d . . . . .
H68A H 0.617335 -0.055221 0.760950 0.092 Uiso 1 1 calc R U . . .
H68B H 0.534996 0.021369 0.713972 0.092 Uiso 1 1 calc R U . . .
H68C H 0.622278 0.035901 0.733397 0.092 Uiso 1 1 calc R U . . .
C69 C 0.8130(2) 0.3330(2) 0.11141(18) 0.0319(8) Uani 1 1 d . . . . .
H69 H 0.873621 0.303545 0.131917 0.038 Uiso 1 1 calc R U . . .
C70 C 0.7520(2) 0.4012(2) 0.12560(18) 0.0288(8) Uani 1 1 d . . . . .
H70 H 0.771636 0.417728 0.155289 0.035 Uiso 1 1 calc R U . . .
C71 C 0.6621(2) 0.44600(19) 0.09678(16) 0.0238(7) Uani 1 1 d . . . . .
C72 C 0.6377(3) 0.4194(2) 0.05314(17) 0.0286(8) Uani 1 1 d . . . . .
H72 H 0.577147 0.448460 0.032512 0.034 Uiso 1 1 calc R U . . .
C73 C 0.6994(3) 0.3516(2) 0.03920(17) 0.0328(8) Uani 1 1 d . . . . .
H73 H 0.680487 0.335401 0.008969 0.039 Uiso 1 1 calc R U . . .
C74 C 0.8540(3) 0.2316(2) 0.0535(2) 0.0434(10) Uani 1 1 d . . . . .
H74A H 0.823232 0.189206 0.071265 0.065 Uiso 1 1 calc R U . . .
H74B H 0.914799 0.209952 0.075973 0.065 Uiso 1 1 calc R U . . .
H74C H 0.866784 0.246927 0.003818 0.065 Uiso 1 1 calc R U . . .
C75 C 0.5946(2) 0.51983(19) 0.10904(16) 0.0220(7) Uani 1 1 d . . . . .
C76 C 0.6144(2) 0.58696(19) 0.11046(16) 0.0234(7) Uani 1 1 d . . . . .
C77 C 0.5252(2) 0.64543(19) 0.11821(16) 0.0257(7) Uani 1 1 d . . . . .
H77 H 0.517274 0.695644 0.122073 0.031 Uiso 1 1 calc R U . . .
C78 C 0.4492(2) 0.61766(19) 0.11936(16) 0.0253(7) Uani 1 1 d . . . . .
C79 C 0.4936(2) 0.53972(19) 0.11471(16) 0.0232(7) Uani 1 1 d . . . . .
H79 H 0.460489 0.505581 0.115311 0.028 Uiso 1 1 calc R U . . .
C80 C 0.3455(2) 0.6627(2) 0.12126(16) 0.0279(8) Uani 1 1 d . . . . .
C81 C 0.3099(3) 0.7473(2) 0.10557(19) 0.0362(9) Uani 1 1 d . . . . .
H81 H 0.353166 0.777556 0.091304 0.043 Uiso 1 1 calc R U . . .
C82 C 0.2122(3) 0.7877(3) 0.1105(2) 0.0477(11) Uani 1 1 d . . . . .
H82 H 0.188994 0.845274 0.100288 0.057 Uiso 1 1 calc R U . . .
C83 C 0.1481(3) 0.7452(3) 0.1302(2) 0.0507(11) Uani 1 1 d . . . . .
H83 H 0.081158 0.773121 0.134732 0.061 Uiso 1 1 calc R U . . .
C84 C 0.1813(3) 0.6623(3) 0.1433(2) 0.0419(10) Uani 1 1 d . . . . .
H84 H 0.137258 0.633097 0.155391 0.050 Uiso 1 1 calc R U . . .
C85 C 0.2791(2) 0.6216(2) 0.13883(17) 0.0313(8) Uani 1 1 d . . . . .
H85 H 0.301548 0.564236 0.147922 0.038 Uiso 1 1 calc R U . . .
C86 C 0.7061(2) 0.6047(2) 0.09329(17) 0.0286(8) Uani 1 1 d . . . . .
C87 C 0.7706(3) 0.5847(2) 0.04243(19) 0.0365(9) Uani 1 1 d . . . . .
H87 H 0.760319 0.552393 0.022385 0.044 Uiso 1 1 calc R U . . .
C88 C 0.8506(3) 0.6112(3) 0.0202(2) 0.0497(11) Uani 1 1 d . . . . .
H88 H 0.894071 0.596455 -0.014509 0.060 Uiso 1 1 calc R U . . .
C89 C 0.8671(3) 0.6584(3) 0.0479(2) 0.0546(12) Uani 1 1 d . . . . .
C90 C 0.8042(3) 0.6777(3) 0.0988(3) 0.0558(12) Uani 1 1 d . . . . .
H90 H 0.814849 0.710000 0.118734 0.067 Uiso 1 1 calc R U . . .
C91 C 0.7251(3) 0.6507(2) 0.1217(2) 0.0444(10) Uani 1 1 d . . . . .
H91 H 0.683249 0.664016 0.157596 0.053 Uiso 1 1 calc R U . . .
C92 C 0.9506(4) 0.6920(4) 0.0207(3) 0.0824(18) Uani 1 1 d . . . . .
H92A H 1.003039 0.654593 0.002720 0.124 Uiso 1 1 calc R U . . .
H92B H 0.973488 0.696603 0.058107 0.124 Uiso 1 1 calc R U . . .
H92C H 0.928754 0.746578 -0.016059 0.124 Uiso 1 1 calc R U . . .
C93 C 0.1968(6) 0.3585(5) 0.2519(5) 0.124(2) Uani 1 1 d . U . . .
H93 H 0.230150 0.320099 0.292363 0.148 Uiso 1 1 calc R U . . .
C94 C 0.2406(5) 0.4074(5) 0.1941(5) 0.103(2) Uani 1 1 d . U . . .
H94 H 0.305571 0.401995 0.195962 0.124 Uiso 1 1 calc R U . . .
C95 C 0.1925(5) 0.4621(4) 0.1356(4) 0.0954(19) Uani 1 1 d . U . . .
H95 H 0.224255 0.493984 0.097944 0.114 Uiso 1 1 calc R U . . .
C96 C 0.1011(5) 0.4710(4) 0.1310(4) 0.0983(19) Uani 1 1 d . U . . .
H96 H 0.067579 0.507662 0.090183 0.118 Uiso 1 1 calc R U . . .
C97 C 0.0549(4) 0.4221(4) 0.1909(4) 0.0917(18) Uani 1 1 d . U . . .
C98 C 0.1098(5) 0.3697(4) 0.2456(4) 0.102(2) Uani 1 1 d . U . . .
H98 H 0.079477 0.337308 0.284024 0.122 Uiso 1 1 calc R U . . .
C99 C -0.0436(6) 0.4313(6) 0.1805(5) 0.165(4) Uani 1 1 d . U . . .
H99A H -0.083938 0.489369 0.167089 0.247 Uiso 1 1 calc R U . . .
H99B H -0.070402 0.398251 0.223239 0.247 Uiso 1 1 calc R U . . .
H99C H -0.041747 0.412224 0.144095 0.247 Uiso 1 1 calc R U . . .
C100 C 0.7572(5) 0.8141(4) -0.1212(3) 0.0977(18) Uani 1 1 d . U . . .
H100 H 0.700959 0.800842 -0.099346 0.117 Uiso 1 1 calc R U . . .
C101 C 0.8238(5) 0.7648(4) -0.1503(3) 0.0965(18) Uani 1 1 d . U . . .
H101 H 0.816422 0.717015 -0.149982 0.116 Uiso 1 1 calc R U . . .
C102 C 0.9003(5) 0.7868(4) -0.1795(3) 0.1005(19) Uani 1 1 d . U . . .
H102 H 0.946321 0.751866 -0.200686 0.121 Uiso 1 1 calc R U . . .
C103 C 0.9232(4) 0.8510(4) -0.1839(3) 0.0871(16) Uani 1 1 d . U . . .
H103 H 0.981900 0.860112 -0.204569 0.105 Uiso 1 1 calc R U . . .
C104 C 0.8497(5) 0.9043(4) -0.1541(3) 0.0910(16) Uani 1 1 d . U . . .
C105 C 0.7685(4) 0.8852(4) -0.1222(3) 0.0826(16) Uani 1 1 d . U . . .
H105 H 0.720766 0.919293 -0.101053 0.099 Uiso 1 1 calc R U . . .
C106 C 0.8639(7) 0.9737(5) -0.1572(4) 0.149(3) Uani 1 1 d . U . . .
H10A H 0.933048 0.963975 -0.159147 0.223 Uiso 1 1 calc R U . . .
H10B H 0.833476 0.985639 -0.116297 0.223 Uiso 1 1 calc R U . . .
H10C H 0.835271 1.020775 -0.198405 0.223 Uiso 1 1 calc R U . . .
C107 C 0.8105(7) 0.7126(6) 0.2979(5) 0.0623(19) Uani 0.628(6) 1 d D U P A 1
H107 H 0.821920 0.763667 0.275384 0.075 Uiso 0.628(6) 1 calc R U P A 1
C108 C 0.7359(7) 0.7081(5) 0.3461(5) 0.071(2) Uani 0.628(6) 1 d D U P A 1
H108 H 0.694776 0.754991 0.355840 0.086 Uiso 0.628(6) 1 calc R U P A 1
C109 C 0.7233(9) 0.6309(6) 0.3804(6) 0.074(2) Uani 0.628(6) 1 d D U P A 1
H109 H 0.675041 0.625340 0.416469 0.089 Uiso 0.628(6) 1 calc R U P A 1
C110 C 0.7744(7) 0.5659(6) 0.3655(4) 0.0548(19) Uani 0.628(6) 1 d D U P A 1
H110 H 0.763809 0.514662 0.390681 0.066 Uiso 0.628(6) 1 calc R U P A 1
C111 C 0.8440(7) 0.5733(6) 0.3123(5) 0.064(2) Uani 0.628(6) 1 d D U P A 1
H111 H 0.876049 0.529672 0.296353 0.077 Uiso 0.628(6) 1 calc R U P A 1
C112 C 0.8673(6) 0.6500(5) 0.2809(5) 0.0563(18) Uani 0.628(6) 1 d D U P A 1
C113 C 0.9486(7) 0.6593(8) 0.2316(5) 0.102(4) Uani 0.628(6) 1 d D U P A 1
H11A H 0.946872 0.716624 0.213114 0.153 Uiso 0.628(6) 1 calc R U P A 1
H11B H 0.944464 0.644396 0.193934 0.153 Uiso 0.628(6) 1 calc R U P A 1
H11C H 1.008966 0.622989 0.254599 0.153 Uiso 0.628(6) 1 calc R U P A 1
C114 C 0.6024(2) 0.09725(19) 0.21994(17) 0.0262(7) Uani 1 1 d . . . . .
C115 C 0.6419(3) 0.1264(2) 0.15303(17) 0.0291(8) Uani 1 1 d . . . . .
H115 H 0.705104 0.096088 0.141718 0.035 Uiso 1 1 calc R U . . .
C116 C 0.5903(3) 0.1985(2) 0.10331(18) 0.0336(9) Uani 1 1 d . . . . .
H116 H 0.617951 0.215706 0.057993 0.040 Uiso 1 1 calc R U . . .
C117 C 0.4995(3) 0.2463(2) 0.11767(19) 0.0363(9) Uani 1 1 d . . . . .
C118 C 0.4610(3) 0.2189(2) 0.1844(2) 0.0396(9) Uani 1 1 d . . . . .
H118 H 0.398969 0.250844 0.195840 0.048 Uiso 1 1 calc R U . . .
C119 C 0.5108(3) 0.1462(2) 0.23424(19) 0.0348(9) Uani 1 1 d . . . . .
H119 H 0.482302 0.129032 0.279284 0.042 Uiso 1 1 calc R U . . .
C120 C 0.4435(3) 0.3251(3) 0.0629(2) 0.0546(12) Uani 1 1 d . . . . .
H12A H 0.486568 0.341361 0.022974 0.082 Uiso 1 1 calc R U . . .
H12B H 0.416005 0.368813 0.081230 0.082 Uiso 1 1 calc R U . . .
H12C H 0.391555 0.316138 0.049168 0.082 Uiso 1 1 calc R U . . .
C121 C 0.7881(3) 0.3067(2) 0.06817(17) 0.0323(8) Uani 1 1 d . . . . .
Cl1 Cl 0.65145(6) 0.15484(5) 0.35739(4) 0.02900(19) Uani 1 1 d . . . . .
Cl2 Cl 0.84148(6) 0.11101(5) 0.23426(4) 0.0343(2) Uani 1 1 d . . . . .
Cl3 Cl 0.50186(7) 0.38366(5) 0.27189(5) 0.0335(2) Uani 1 1 d . . . . .
Cl4 Cl 0.70742(6) 0.44358(6) 0.27861(5) 0.0365(2) Uani 1 1 d . . . . .
Dy1 Dy 0.53254(2) 0.52132(2) 0.23894(2) 0.02038(5) Uani 1 1 d . . . . .
Dy2 Dy 0.77968(2) 0.01904(2) 0.34910(2) 0.02220(5) Uani 1 1 d . . . . .
K1 K 0.64550(6) 0.26230(4) 0.20413(4) 0.03110(18) Uani 1 1 d . . . . .
K2 K 0.67758(6) 0.28509(5) 0.39173(4) 0.03508(19) Uani 1 1 d . . . . .
C122 C 0.8402(12) 0.6818(10) 0.3222(8) 0.072(3) Uani 0.372(6) 1 d D U P A 2
H122 H 0.836807 0.723248 0.337390 0.087 Uiso 0.372(6) 1 calc R U P A 2
C1A C 0.9038(14) 0.6680(10) 0.2677(10) 0.084(3) Uani 0.372(6) 1 d D U P A 2
H1A H 0.935641 0.705997 0.238782 0.100 Uiso 0.372(6) 1 calc R U P A 2
C1B C 0.7851(11) 0.6345(9) 0.3518(9) 0.080(3) Uani 0.372(6) 1 d D U P A 2
C1C C 0.9182(12) 0.5957(9) 0.2576(8) 0.080(3) Uani 0.372(6) 1 d D U P A 2
H1C H 0.967567 0.581459 0.225412 0.096 Uiso 0.372(6) 1 calc R U P A 2
C1D C 0.7981(14) 0.5645(11) 0.3368(10) 0.077(3) Uani 0.372(6) 1 d D U P A 2
H1D H 0.758827 0.530940 0.359380 0.093 Uiso 0.372(6) 1 calc R U P A 2
C1E C 0.6951(14) 0.6674(13) 0.3876(11) 0.103(6) Uani 0.372(6) 1 d D U P A 2
H1EA H 0.709197 0.682921 0.421808 0.154 Uiso 0.372(6) 1 calc R U P A 2
H1EB H 0.664094 0.625237 0.410615 0.154 Uiso 0.372(6) 1 calc R U P A 2
H1EC H 0.651874 0.716052 0.354270 0.154 Uiso 0.372(6) 1 calc R U P A 2
C1F C 0.8678(12) 0.5473(10) 0.2897(8) 0.082(4) Uani 0.372(6) 1 d D . P A 2
H1F H 0.879901 0.499817 0.280169 0.098 Uiso 0.372(6) 1 calc R U P A 2
C1G C 0.4861(16) 1.1088(11) 0.0087(10) 0.165(10) Uani 0.5 1 d D U P B -1
H1GA H 0.508475 1.097958 0.052788 0.248 Uiso 0.5 1 calc R U P B -1
H1GB H 0.418776 1.144777 0.004395 0.248 Uiso 0.5 1 calc R U P B -1
H1GC H 0.525630 1.135781 -0.028886 0.248 Uiso 0.5 1 calc R U P B -1
C1H C 0.4948(8) 1.0277(7) 0.0055(5) 0.078(3) Uani 0.5 1 d D U P B -1
C1I C 0.5805(10) 0.9638(10) 0.0154(11) 0.111(6) Uani 0.5 1 d D U P B -1
H1I H 0.635312 0.970288 0.024916 0.133 Uiso 0.5 1 calc R U P B -1
C1J C 0.5894(9) 0.8907(9) 0.0120(7) 0.114(4) Uani 0.5 1 d D U P B -1
H1J H 0.649734 0.847543 0.018524 0.137 Uiso 0.5 1 calc R U P B -1
C1K C 0.5095(9) 0.8804(8) -0.0012(7) 0.088(4) Uani 0.5 1 d D U P B -1
H1K H 0.514821 0.830514 -0.004486 0.105 Uiso 0.5 1 calc R U P B -1
C1L C 0.4220(7) 0.9433(6) -0.0094(5) 0.070(3) Uani 0.5 1 d D U P B -1
H1L H 0.366287 0.937037 -0.017838 0.084 Uiso 0.5 1 calc R U P B -1
C1M C 0.4171(10) 1.0146(7) -0.0053(9) 0.066(3) Uani 0.5 1 d D U P B -1
H1M H 0.356559 1.057279 -0.010192 0.080 Uiso 0.5 1 calc R U P B -1


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C6 1.381(5) . ?
C1 C2 1.384(5) . ?
C1 H1 0.9500 . ?
C2 C3 1.370(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.365(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.386(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.393(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.478(5) . ?
C7 C11 1.409(4) . ?
C7 C8 1.420(5) . ?
C7 Dy2 2.655(3) . ?
C8 C9 1.410(5) . ?
C8 Dy2 2.650(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.427(5) . ?
C9 C12 1.492(5) . ?
C9 Dy2 2.728(3) . ?
C10 C11 1.421(5) . ?
C10 C114 1.480(4) . ?
C10 Dy2 2.718(3) . ?
C11 Dy2 2.662(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.373(5) . ?
C12 C17 1.385(5) . ?
C13 C14 1.397(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.368(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.360(7) . ?
C15 C18 1.526(6) . ?
C16 C17 1.397(6) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.380(6) . ?
C19 C24 1.399(6) . ?
C19 H19 0.9500 . ?
C20 C21 1.360(7) . ?
C20 H20 0.9500 . ?
C21 C22 1.370(8) . ?
C21 H21 0.9500 . ?
C22 C23 1.398(7) . ?
C22 H22 0.9500 . ?
C23 C24 1.387(6) . ?
C23 H23 0.9500 . ?
C24 C25 1.474(5) . ?
C25 C29 1.406(5) . ?
C25 C26 1.414(5) . ?
C25 Dy2 2.644(3) . ?
C26 C27 1.404(5) . ?
C26 Dy2 2.672(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.434(5) . ?
C27 C62 1.492(5) . ?
C27 Dy2 2.723(3) . ?
C28 C29 1.417(5) . ?
C28 C30 1.475(5) . ?
C28 Dy2 2.703(3) . ?
C29 Dy2 2.644(3) . ?
C29 H29 0.9500 . ?
C30 C31 1.391(5) . ?
C30 C35 1.402(5) . ?
C30 K2 3.502(3) . ?
C31 C32 1.388(5) . ?
C31 K2 3.450(4) . ?
C31 H31 0.9500 . ?
C32 C33 1.388(6) . ?
C32 K2 3.277(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.387(6) . ?
C33 C36 1.514(6) . ?
C33 K2 3.158(4) . ?
C34 C35 1.379(5) . ?
C34 K2 3.172(4) . ?
C34 H34 0.9500 . ?
C35 K2 3.336(4) . ?
C35 H35 0.9500 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C42 1.381(5) . ?
C37 C38 1.392(5) . ?
C37 H37 0.9500 . ?
C38 C39 1.358(7) . ?
C38 H38 0.9500 . ?
C39 C40 1.369(7) . ?
C39 H39 0.9500 . ?
C40 C41 1.390(6) . ?
C40 H40 0.9500 . ?
C41 C42 1.389(5) . ?
C41 H41 0.9500 . ?
C42 C43 1.475(5) . ?
C43 C44 1.406(5) . ?
C43 C47 1.410(5) . ?
C43 Dy1 2.662(3) . ?
C44 C45 1.418(4) . ?
C44 Dy1 2.654(3) . ?
C44 H44 0.9500 . ?
C45 C46 1.431(4) . ?
C45 C55 1.477(4) . ?
C45 Dy1 2.733(3) . ?
C46 C47 1.410(4) . ?
C46 C48 1.484(4) . ?
C46 Dy1 2.759(3) . ?
C47 Dy1 2.678(3) . ?
C47 H47 0.9500 . ?
C48 C53 1.385(5) . ?
C48 C49 1.400(5) . ?
C49 C50 1.375(5) . ?
C49 H49 0.9500 . ?
C50 C51 1.376(5) . ?
C50 H50 0.9500 . ?
C51 C52 1.382(5) . ?
C51 C54 1.515(5) . ?
C52 C53 1.377(5) . ?
C52 H52 0.9500 . ?
C53 H53 0.9500 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 C60 1.395(5) . ?
C55 C56 1.397(5) . ?
C55 K2 3.278(3) . ?
C56 C57 1.384(5) . ?
C56 K2 3.486(4) . ?
C56 H56 0.9500 . ?
C57 C58 1.380(6) . ?
C57 K2 3.536(4) . ?
C57 H57 0.9500 . ?
C58 C59 1.390(5) . ?
C58 C61 1.526(5) . ?
C58 K2 3.387(4) . ?
C59 C60 1.391(5) . ?
C59 K2 3.137(4) . ?
C59 H59 0.9500 . ?
C60 K2 3.070(3) . ?
C60 H60 0.9500 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 C67 1.379(5) . ?
C62 C63 1.385(5) . ?
C63 C64 1.393(6) . ?
C63 H63 0.9500 . ?
C64 C65 1.366(6) . ?
C64 H64 0.9500 . ?
C65 C66 1.381(5) . ?
C65 C68 1.520(6) . ?
C66 C67 1.385(5) . ?
C66 H66 0.9500 . ?
C67 H67 0.9500 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 C121 1.386(5) . ?
C69 C70 1.388(5) . ?
C69 K1 3.232(3) . ?
C69 H69 0.9500 . ?
C70 C71 1.397(5) . ?
C70 K1 3.279(3) . ?
C70 H70 0.9500 . ?
C71 C72 1.394(5) . ?
C71 C75 1.477(5) . ?
C71 K1 3.346(3) . ?
C72 C73 1.382(5) . ?
C72 K1 3.342(3) . ?
C72 H72 0.9500 . ?
C73 C121 1.383(5) . ?
C73 K1 3.306(3) . ?
C73 H73 0.9500 . ?
C74 C121 1.513(5) . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 C79 1.412(4) . ?
C75 C76 1.425(4) . ?
C75 Dy1 2.768(3) . ?
C76 C77 1.411(5) . ?
C76 C86 1.483(4) . ?
C76 Dy1 2.758(3) . ?
C77 C78 1.421(5) . ?
C77 Dy1 2.658(3) . ?
C77 H77 0.9500 . ?
C78 C79 1.409(5) . ?
C78 C80 1.469(5) . ?
C78 Dy1 2.665(3) . ?
C79 Dy1 2.694(3) . ?
C79 H79 0.9500 . ?
C80 C81 1.391(5) . ?
C80 C85 1.394(5) . ?
C81 C82 1.382(5) . ?
C81 H81 0.9500 . ?
C82 C83 1.378(6) . ?
C82 H82 0.9500 . ?
C83 C84 1.373(6) . ?
C83 H83 0.9500 . ?
C84 C85 1.384(5) . ?
C84 H84 0.9500 . ?
C85 H85 0.9500 . ?
C86 C91 1.384(5) . ?
C86 C87 1.388(5) . ?
C87 C88 1.400(5) . ?
C87 H87 0.9500 . ?
C88 C89 1.373(6) . ?
C88 H88 0.9500 . ?
C89 C90 1.374(7) . ?
C89 C92 1.526(6) . ?
C90 C91 1.394(6) . ?
C90 H90 0.9500 . ?
C91 H91 0.9500 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C93 C98 1.270(9) . ?
C93 C94 1.416(11) . ?
C93 H93 0.9500 . ?
C94 C95 1.369(10) . ?
C94 H94 0.9500 . ?
C95 C96 1.339(9) . ?
C95 H95 0.9500 . ?
C96 C97 1.459(9) . ?
C96 H96 0.9500 . ?
C97 C98 1.353(9) . ?
C97 C99 1.476(9) . ?
C98 H98 0.9500 . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C100 C101 1.341(9) . ?
C100 C105 1.413(9) . ?
C100 H100 0.9500 . ?
C101 C102 1.323(8) . ?
C101 H101 0.9500 . ?
C102 C103 1.348(9) . ?
C102 H102 0.9500 . ?
C103 C104 1.436(9) . ?
C103 H103 0.9500 . ?
C104 C105 1.374(8) . ?
C104 C106 1.385(9) . ?
C105 H105 0.9500 . ?
C106 H10A 0.9800 . ?
C106 H10B 0.9800 . ?
C106 H10C 0.9800 . ?
C107 C112 1.319(12) . ?
C107 C108 1.368(12) . ?
C107 H107 0.9500 . ?
C108 C109 1.405(13) . ?
C108 H108 0.9500 . ?
C109 C110 1.314(12) . ?
C109 H109 0.9500 . ?
C110 C111 1.387(12) . ?
C110 H110 0.9500 . ?
C111 C112 1.470(12) . ?
C111 H111 0.9500 . ?
C112 C113 1.463(12) . ?
C113 H11A 0.9800 . ?
C113 H11B 0.9800 . ?
C113 H11C 0.9800 . ?
C114 C119 1.397(5) . ?
C114 C115 1.402(5) . ?
C114 K1 3.299(3) . ?
C115 C116 1.383(5) . ?
C115 K1 3.216(3) . ?
C115 H115 0.9500 . ?
C116 C117 1.381(5) . ?
C116 K1 3.241(4) . ?
C116 H116 0.9500 . ?
C117 C118 1.390(5) . ?
C117 C120 1.512(5) . ?
C117 K1 3.309(4) . ?
C118 C119 1.380(5) . ?
C118 K1 3.325(4) . ?
C118 H118 0.9500 . ?
C119 K1 3.322(4) . ?
C119 H119 0.9500 . ?
C120 H12A 0.9800 . ?
C120 H12B 0.9800 . ?
C120 H12C 0.9800 . ?
C121 K1 3.264(3) . ?
Cl1 Dy2 2.6185(8) . ?
Cl1 K2 3.0279(12) . ?
Cl1 K1 3.0559(11) . ?
Cl2 Dy2 2.5874(8) . ?
Cl2 K1 3.1805(11) . ?
Cl3 Dy1 2.5993(8) . ?
Cl3 K1 3.1404(12) . ?
Cl3 K2 3.4657(12) . ?
Cl4 Dy1 2.5903(8) . ?
Cl4 K2 3.0972(12) . ?
C122 C1B 1.331(14) . ?
C122 C1A 1.406(15) . ?
C122 H122 0.9500 . ?
C1A C1C 1.407(15) . ?
C1A H1A 0.9500 . ?
C1B C1D 1.428(14) . ?
C1B C1E 1.47(2) . ?
C1C C1F 1.295(15) . ?
C1C H1C 0.9500 . ?
C1D C1F 1.350(14) . ?
C1D H1D 0.9500 . ?
C1E H1EA 0.9800 . ?
C1E H1EB 0.9800 . ?
C1E H1EC 0.9800 . ?
C1F H1F 0.9500 . ?
C1G C1H 1.523(14) . ?
C1G H1GA 0.9800 . ?
C1G H1GB 0.9800 . ?
C1G H1GC 0.9800 . ?
C1H C1M 1.361(10) . ?
C1H C1I 1.372(10) . ?
C1I C1J 1.372(10) . ?
C1I H1I 0.9500 . ?
C1J C1K 1.385(11) . ?
C1J H1J 0.9500 . ?
C1K C1L 1.381(10) . ?
C1K H1K 0.9500 . ?
C1L C1M 1.365(10) . ?
C1L H1L 0.9500 . ?
C1M H1M 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6 C1 C2 121.2(4) . . ?
C6 C1 H1 119.4 . . ?
C2 C1 H1 119.4 . . ?
C3 C2 C1 120.7(4) . . ?
C3 C2 H2 119.6 . . ?
C1 C2 H2 119.6 . . ?
C4 C3 C2 119.1(4) . . ?
C4 C3 H3 120.5 . . ?
C2 C3 H3 120.5 . . ?
C3 C4 C5 120.8(4) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 H4 119.6 . . ?
C4 C5 C6 120.8(4) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C1 C6 C5 117.4(3) . . ?
C1 C6 C7 120.8(3) . . ?
C5 C6 C7 121.7(3) . . ?
C11 C7 C8 106.2(3) . . ?
C11 C7 C6 125.7(3) . . ?
C8 C7 C6 127.8(3) . . ?
C11 C7 Dy2 74.92(18) . . ?
C8 C7 Dy2 74.25(19) . . ?
C6 C7 Dy2 121.0(2) . . ?
C9 C8 C7 109.4(3) . . ?
C9 C8 Dy2 77.89(19) . . ?
C7 C8 Dy2 74.70(19) . . ?
C9 C8 H8 125.3 . . ?
C7 C8 H8 125.3 . . ?
Dy2 C8 H8 114.2 . . ?
C8 C9 C10 107.8(3) . . ?
C8 C9 C12 122.7(3) . . ?
C10 C9 C12 129.0(3) . . ?
C8 C9 Dy2 71.75(19) . . ?
C10 C9 Dy2 74.42(19) . . ?
C12 C9 Dy2 126.1(2) . . ?
C11 C10 C9 106.5(3) . . ?
C11 C10 C114 124.2(3) . . ?
C9 C10 C114 129.3(3) . . ?
C11 C10 Dy2 72.55(19) . . ?
C9 C10 Dy2 75.20(19) . . ?
C114 C10 Dy2 119.1(2) . . ?
C7 C11 C10 110.0(3) . . ?
C7 C11 Dy2 74.36(18) . . ?
C10 C11 Dy2 76.85(19) . . ?
C7 C11 H11 125.0 . . ?
C10 C11 H11 125.0 . . ?
Dy2 C11 H11 115.7 . . ?
C13 C12 C17 117.3(4) . . ?
C13 C12 C9 123.2(3) . . ?
C17 C12 C9 119.5(3) . . ?
C12 C13 C14 121.3(4) . . ?
C12 C13 H13 119.4 . . ?
C14 C13 H13 119.4 . . ?
C15 C14 C13 121.1(4) . . ?
C15 C14 H14 119.4 . . ?
C13 C14 H14 119.4 . . ?
C16 C15 C14 118.0(4) . . ?
C16 C15 C18 120.4(5) . . ?
C14 C15 C18 121.6(5) . . ?
C15 C16 C17 121.5(4) . . ?
C15 C16 H16 119.2 . . ?
C17 C16 H16 119.2 . . ?
C12 C17 C16 120.8(4) . . ?
C12 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C24 121.8(5) . . ?
C20 C19 H19 119.1 . . ?
C24 C19 H19 119.1 . . ?
C21 C20 C19 120.0(5) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C21 C22 119.8(5) . . ?
C20 C21 H21 120.1 . . ?
C22 C21 H21 120.1 . . ?
C21 C22 C23 120.8(5) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 H22 119.6 . . ?
C24 C23 C22 120.3(5) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C23 C24 C19 117.2(4) . . ?
C23 C24 C25 121.1(4) . . ?
C19 C24 C25 121.6(4) . . ?
C29 C25 C26 106.2(3) . . ?
C29 C25 C24 127.1(4) . . ?
C26 C25 C24 126.5(3) . . ?
C29 C25 Dy2 74.56(18) . . ?
C26 C25 Dy2 75.64(18) . . ?
C24 C25 Dy2 118.6(2) . . ?
C27 C26 C25 110.0(3) . . ?
C27 C26 Dy2 76.95(18) . . ?
C25 C26 Dy2 73.50(18) . . ?
C27 C26 H26 125.0 . . ?
C25 C26 H26 125.0 . . ?
Dy2 C26 H26 116.4 . . ?
C26 C27 C28 107.1(3) . . ?
C26 C27 C62 124.1(3) . . ?
C28 C27 C62 128.2(3) . . ?
C26 C27 Dy2 72.89(19) . . ?
C28 C27 Dy2 73.89(19) . . ?
C62 C27 Dy2 125.4(2) . . ?
C29 C28 C27 106.8(3) . . ?
C29 C28 C30 124.3(3) . . ?
C27 C28 C30 128.7(3) . . ?
C29 C28 Dy2 72.34(19) . . ?
C27 C28 Dy2 75.46(19) . . ?
C30 C28 Dy2 121.9(2) . . ?
C25 C29 C28 109.9(3) . . ?
C25 C29 Dy2 74.61(19) . . ?
C28 C29 Dy2 76.96(19) . . ?
C25 C29 H29 125.1 . . ?
C28 C29 H29 125.1 . . ?
Dy2 C29 H29 115.3 . . ?
C31 C30 C35 117.3(3) . . ?
C31 C30 C28 122.5(3) . . ?
C35 C30 C28 120.1(3) . . ?
C31 C30 K2 76.4(2) . . ?
C35 C30 K2 71.6(2) . . ?
C28 C30 K2 125.0(2) . . ?
C32 C31 C30 121.0(4) . . ?
C32 C31 K2 71.2(2) . . ?
C30 C31 K2 80.5(2) . . ?
C32 C31 H31 119.5 . . ?
C30 C31 H31 119.5 . . ?
K2 C31 H31 119.6 . . ?
C33 C32 C31 121.6(4) . . ?
C33 C32 K2 72.8(2) . . ?
C31 C32 K2 85.2(2) . . ?
C33 C32 H32 119.2 . . ?
C31 C32 H32 119.2 . . ?
K2 C32 H32 112.9 . . ?
C34 C33 C32 117.2(4) . . ?
C34 C33 C36 121.5(4) . . ?
C32 C33 C36 121.2(4) . . ?
C34 C33 K2 77.9(2) . . ?
C32 C33 K2 82.4(2) . . ?
C36 C33 K2 108.9(3) . . ?
C35 C34 C33 121.9(4) . . ?
C35 C34 K2 84.5(2) . . ?
C33 C34 K2 76.8(2) . . ?
C35 C34 H34 119.1 . . ?
C33 C34 H34 119.1 . . ?
K2 C34 H34 109.5 . . ?
C34 C35 C30 120.9(4) . . ?
C34 C35 K2 71.2(2) . . ?
C30 C35 K2 84.9(2) . . ?
C34 C35 H35 119.5 . . ?
C30 C35 H35 119.5 . . ?
K2 C35 H35 114.7 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C42 C37 C38 121.2(4) . . ?
C42 C37 H37 119.4 . . ?
C38 C37 H37 119.4 . . ?
C39 C38 C37 120.9(5) . . ?
C39 C38 H38 119.6 . . ?
C37 C38 H38 119.6 . . ?
C38 C39 C40 119.3(4) . . ?
C38 C39 H39 120.4 . . ?
C40 C39 H39 120.4 . . ?
C39 C40 C41 120.2(5) . . ?
C39 C40 H40 119.9 . . ?
C41 C40 H40 119.9 . . ?
C42 C41 C40 121.4(4) . . ?
C42 C41 H41 119.3 . . ?
C40 C41 H41 119.3 . . ?
C37 C42 C41 117.0(3) . . ?
C37 C42 C43 121.6(3) . . ?
C41 C42 C43 121.4(3) . . ?
C44 C43 C47 106.5(3) . . ?
C44 C43 C42 126.3(3) . . ?
C47 C43 C42 126.8(3) . . ?
C44 C43 Dy1 74.38(19) . . ?
C47 C43 Dy1 75.32(19) . . ?
C42 C43 Dy1 121.7(2) . . ?
C43 C44 C45 109.8(3) . . ?
C43 C44 Dy1 74.96(19) . . ?
C45 C44 Dy1 77.83(19) . . ?
C43 C44 H44 125.1 . . ?
C45 C44 H44 125.1 . . ?
Dy1 C44 H44 114.1 . . ?
C44 C45 C46 106.7(3) . . ?
C44 C45 C55 124.9(3) . . ?
C46 C45 C55 128.2(3) . . ?
C44 C45 Dy1 71.70(18) . . ?
C46 C45 Dy1 75.92(18) . . ?
C55 C45 Dy1 120.7(2) . . ?
C47 C46 C45 107.2(3) . . ?
C47 C46 C48 122.7(3) . . ?
C45 C46 C48 128.8(3) . . ?
C47 C46 Dy1 71.79(19) . . ?
C45 C46 Dy1 73.88(18) . . ?
C48 C46 Dy1 129.8(2) . . ?
C43 C47 C46 109.7(3) . . ?
C43 C47 Dy1 74.07(19) . . ?
C46 C47 Dy1 78.20(19) . . ?
C43 C47 H47 125.2 . . ?
C46 C47 H47 125.2 . . ?
Dy1 C47 H47 114.6 . . ?
C53 C48 C49 116.8(3) . . ?
C53 C48 C46 122.9(3) . . ?
C49 C48 C46 120.0(3) . . ?
C50 C49 C48 121.2(3) . . ?
C50 C49 H49 119.4 . . ?
C48 C49 H49 119.4 . . ?
C49 C50 C51 121.4(4) . . ?
C49 C50 H50 119.3 . . ?
C51 C50 H50 119.3 . . ?
C50 C51 C52 117.9(3) . . ?
C50 C51 C54 121.8(4) . . ?
C52 C51 C54 120.3(4) . . ?
C53 C52 C51 121.1(3) . . ?
C53 C52 H52 119.4 . . ?
C51 C52 H52 119.4 . . ?
C52 C53 C48 121.6(3) . . ?
C52 C53 H53 119.2 . . ?
C48 C53 H53 119.2 . . ?
C51 C54 H54A 109.5 . . ?
C51 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C51 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C60 C55 C56 116.7(3) . . ?
C60 C55 C45 123.2(3) . . ?
C56 C55 C45 120.1(3) . . ?
C60 C55 K2 69.08(19) . . ?
C56 C55 K2 86.6(2) . . ?
C45 C55 K2 115.3(2) . . ?
C57 C56 C55 122.0(3) . . ?
C57 C56 K2 80.7(2) . . ?
C55 C56 K2 69.84(19) . . ?
C57 C56 H56 119.0 . . ?
C55 C56 H56 119.0 . . ?
K2 C56 H56 121.5 . . ?
C58 C57 C56 120.9(4) . . ?
C58 C57 K2 72.5(2) . . ?
C56 C57 K2 76.6(2) . . ?
C58 C57 H57 119.5 . . ?
C56 C57 H57 119.5 . . ?
K2 C57 H57 122.7 . . ?
C57 C58 C59 118.0(3) . . ?
C57 C58 C61 120.2(4) . . ?
C59 C58 C61 121.7(4) . . ?
C57 C58 K2 84.6(2) . . ?
C59 C58 K2 67.7(2) . . ?
C61 C58 K2 118.3(2) . . ?
C58 C59 C60 121.1(3) . . ?
C58 C59 K2 88.0(2) . . ?
C60 C59 K2 74.4(2) . . ?
C58 C59 H59 119.4 . . ?
C60 C59 H59 119.4 . . ?
K2 C59 H59 108.0 . . ?
C59 C60 C55 121.2(3) . . ?
C59 C60 K2 79.7(2) . . ?
C55 C60 K2 85.8(2) . . ?
C59 C60 H60 119.4 . . ?
C55 C60 H60 119.4 . . ?
K2 C60 H60 104.8 . . ?
C58 C61 H61A 109.5 . . ?
C58 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C58 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C67 C62 C63 117.3(4) . . ?
C67 C62 C27 124.5(3) . . ?
C63 C62 C27 118.2(3) . . ?
C62 C63 C64 120.5(4) . . ?
C62 C63 H63 119.7 . . ?
C64 C63 H63 119.7 . . ?
C65 C64 C63 121.9(4) . . ?
C65 C64 H64 119.1 . . ?
C63 C64 H64 119.1 . . ?
C64 C65 C66 117.6(4) . . ?
C64 C65 C68 121.7(4) . . ?
C66 C65 C68 120.6(4) . . ?
C65 C66 C67 121.0(4) . . ?
C65 C66 H66 119.5 . . ?
C67 C66 H66 119.5 . . ?
C62 C67 C66 121.6(3) . . ?
C62 C67 H67 119.2 . . ?
C66 C67 H67 119.2 . . ?
C65 C68 H68A 109.5 . . ?
C65 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C65 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C121 C69 C70 121.8(3) . . ?
C121 C69 K1 79.0(2) . . ?
C70 C69 K1 79.6(2) . . ?
C121 C69 H69 119.1 . . ?
C70 C69 H69 119.1 . . ?
K1 C69 H69 112.5 . . ?
C69 C70 C71 120.9(3) . . ?
C69 C70 K1 75.8(2) . . ?
C71 C70 K1 80.54(19) . . ?
C69 C70 H70 119.6 . . ?
C71 C70 H70 119.6 . . ?
K1 C70 H70 114.5 . . ?
C72 C71 C70 117.0(3) . . ?
C72 C71 C75 119.6(3) . . ?
C70 C71 C75 123.4(3) . . ?
C72 C71 K1 77.82(19) . . ?
C70 C71 K1 75.14(19) . . ?
C75 C71 K1 117.9(2) . . ?
C73 C72 C71 121.5(3) . . ?
C73 C72 K1 76.55(19) . . ?
C71 C72 K1 78.12(18) . . ?
C73 C72 H72 119.3 . . ?
C71 C72 H72 119.3 . . ?
K1 C72 H72 116.7 . . ?
C72 C73 C121 121.6(3) . . ?
C72 C73 K1 79.5(2) . . ?
C121 C73 K1 76.1(2) . . ?
C72 C73 H73 119.2 . . ?
C121 C73 H73 119.2 . . ?
K1 C73 H73 115.7 . . ?
C121 C74 H74A 109.5 . . ?
C121 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C121 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C79 C75 C76 107.1(3) . . ?
C79 C75 C71 123.8(3) . . ?
C76 C75 C71 128.9(3) . . ?
C79 C75 Dy1 72.15(18) . . ?
C76 C75 Dy1 74.66(18) . . ?
C71 C75 Dy1 123.3(2) . . ?
C77 C76 C75 107.3(3) . . ?
C77 C76 C86 122.8(3) . . ?
C75 C76 C86 128.8(3) . . ?
C77 C76 Dy1 71.01(18) . . ?
C75 C76 Dy1 75.45(18) . . ?
C86 C76 Dy1 127.9(2) . . ?
C76 C77 C78 109.5(3) . . ?
C76 C77 Dy1 78.85(18) . . ?
C78 C77 Dy1 74.78(18) . . ?
C76 C77 H77 125.2 . . ?
C78 C77 H77 125.2 . . ?
Dy1 C77 H77 113.3 . . ?
C79 C78 C77 106.0(3) . . ?
C79 C78 C80 126.8(3) . . ?
C77 C78 C80 127.1(3) . . ?
C79 C78 Dy1 75.92(17) . . ?
C77 C78 Dy1 74.26(17) . . ?
C80 C78 Dy1 117.7(2) . . ?
C78 C79 C75 110.0(3) . . ?
C78 C79 Dy1 73.59(18) . . ?
C75 C79 Dy1 77.92(18) . . ?
C78 C79 H79 125.0 . . ?
C75 C79 H79 125.0 . . ?
Dy1 C79 H79 115.4 . . ?
C81 C80 C85 117.7(3) . . ?
C81 C80 C78 121.7(3) . . ?
C85 C80 C78 120.6(3) . . ?
C82 C81 C80 120.6(4) . . ?
C82 C81 H81 119.7 . . ?
C80 C81 H81 119.7 . . ?
C83 C82 C81 120.7(4) . . ?
C83 C82 H82 119.7 . . ?
C81 C82 H82 119.7 . . ?
C84 C83 C82 119.7(4) . . ?
C84 C83 H83 120.1 . . ?
C82 C83 H83 120.1 . . ?
C83 C84 C85 119.8(4) . . ?
C83 C84 H84 120.1 . . ?
C85 C84 H84 120.1 . . ?
C84 C85 C80 121.5(4) . . ?
C84 C85 H85 119.3 . . ?
C80 C85 H85 119.3 . . ?
C91 C86 C87 117.3(3) . . ?
C91 C86 C76 120.8(3) . . ?
C87 C86 C76 121.4(3) . . ?
C86 C87 C88 121.1(4) . . ?
C86 C87 H87 119.5 . . ?
C88 C87 H87 119.5 . . ?
C89 C88 C87 120.8(4) . . ?
C89 C88 H88 119.6 . . ?
C87 C88 H88 119.6 . . ?
C88 C89 C90 118.5(4) . . ?
C88 C89 C92 121.0(5) . . ?
C90 C89 C92 120.4(5) . . ?
C89 C90 C91 120.9(4) . . ?
C89 C90 H90 119.5 . . ?
C91 C90 H90 119.5 . . ?
C86 C91 C90 121.3(4) . . ?
C86 C91 H91 119.3 . . ?
C90 C91 H91 119.3 . . ?
C89 C92 H92A 109.5 . . ?
C89 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C89 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C98 C93 C94 115.2(9) . . ?
C98 C93 H93 122.4 . . ?
C94 C93 H93 122.4 . . ?
C95 C94 C93 122.2(7) . . ?
C95 C94 H94 118.9 . . ?
C93 C94 H94 118.9 . . ?
C96 C95 C94 120.6(8) . . ?
C96 C95 H95 119.7 . . ?
C94 C95 H95 119.7 . . ?
C95 C96 C97 117.5(7) . . ?
C95 C96 H96 121.2 . . ?
C97 C96 H96 121.2 . . ?
C98 C97 C96 116.7(6) . . ?
C98 C97 C99 128.7(8) . . ?
C96 C97 C99 114.4(7) . . ?
C93 C98 C97 127.9(9) . . ?
C93 C98 H98 116.1 . . ?
C97 C98 H98 116.1 . . ?
C97 C99 H99A 109.5 . . ?
C97 C99 H99B 109.5 . . ?
H99A C99 H99B 109.5 . . ?
C97 C99 H99C 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C101 C100 C105 121.6(7) . . ?
C101 C100 H100 119.2 . . ?
C105 C100 H100 119.2 . . ?
C102 C101 C100 115.9(8) . . ?
C102 C101 H101 122.0 . . ?
C100 C101 H101 122.0 . . ?
C101 C102 C103 130.0(8) . . ?
C101 C102 H102 115.0 . . ?
C103 C102 H102 115.0 . . ?
C102 C103 C104 113.1(6) . . ?
C102 C103 H103 123.4 . . ?
C104 C103 H103 123.4 . . ?
C105 C104 C106 121.2(8) . . ?
C105 C104 C103 120.3(7) . . ?
C106 C104 C103 118.4(7) . . ?
C104 C105 C100 118.9(7) . . ?
C104 C105 H105 120.6 . . ?
C100 C105 H105 120.6 . . ?
C104 C106 H10A 109.5 . . ?
C104 C106 H10B 109.5 . . ?
H10A C106 H10B 109.5 . . ?
C104 C106 H10C 109.5 . . ?
H10A C106 H10C 109.5 . . ?
H10B C106 H10C 109.5 . . ?
C112 C107 C108 123.9(9) . . ?
C112 C107 H107 118.1 . . ?
C108 C107 H107 118.1 . . ?
C107 C108 C109 116.7(9) . . ?
C107 C108 H108 121.7 . . ?
C109 C108 H108 121.7 . . ?
C110 C109 C108 123.7(11) . . ?
C110 C109 H109 118.2 . . ?
C108 C109 H109 118.2 . . ?
C109 C110 C111 118.9(9) . . ?
C109 C110 H110 120.6 . . ?
C111 C110 H110 120.6 . . ?
C110 C111 C112 118.8(8) . . ?
C110 C111 H111 120.6 . . ?
C112 C111 H111 120.6 . . ?
C107 C112 C113 120.0(10) . . ?
C107 C112 C111 117.3(8) . . ?
C113 C112 C111 122.7(9) . . ?
C112 C113 H11A 109.5 . . ?
C112 C113 H11B 109.5 . . ?
H11A C113 H11B 109.5 . . ?
C112 C113 H11C 109.5 . . ?
H11A C113 H11C 109.5 . . ?
H11B C113 H11C 109.5 . . ?
C119 C114 C115 116.9(3) . . ?
C119 C114 C10 120.1(3) . . ?
C115 C114 C10 123.0(3) . . ?
C119 C114 K1 78.7(2) . . ?
C115 C114 K1 74.28(19) . . ?
C10 C114 K1 116.0(2) . . ?
C116 C115 C114 120.9(3) . . ?
C116 C115 K1 78.7(2) . . ?
C114 C115 K1 80.9(2) . . ?
C116 C115 H115 119.5 . . ?
C114 C115 H115 119.5 . . ?
K1 C115 H115 111.1 . . ?
C117 C116 C115 121.9(3) . . ?
C117 C116 K1 80.6(2) . . ?
C115 C116 K1 76.6(2) . . ?
C117 C116 H116 119.1 . . ?
C115 C116 H116 119.1 . . ?
K1 C116 H116 114.0 . . ?
C116 C117 C118 117.5(3) . . ?
C116 C117 C120 121.5(4) . . ?
C118 C117 C120 121.0(4) . . ?
C116 C117 K1 75.1(2) . . ?
C118 C117 K1 78.5(2) . . ?
C120 C117 K1 116.6(3) . . ?
C119 C118 C117 121.4(4) . . ?
C119 C118 K1 77.9(2) . . ?
C117 C118 K1 77.3(2) . . ?
C119 C118 H118 119.3 . . ?
C117 C118 H118 119.3 . . ?
K1 C118 H118 116.0 . . ?
C118 C119 C114 121.4(3) . . ?
C118 C119 K1 78.2(2) . . ?
C114 C119 K1 76.9(2) . . ?
C118 C119 H119 119.3 . . ?
C114 C119 H119 119.3 . . ?
K1 C119 H119 116.2 . . ?
C117 C120 H12A 109.5 . . ?
C117 C120 H12B 109.5 . . ?
H12A C120 H12B 109.5 . . ?
C117 C120 H12C 109.5 . . ?
H12A C120 H12C 109.5 . . ?
H12B C120 H12C 109.5 . . ?
C73 C121 C69 117.2(3) . . ?
C73 C121 C74 121.0(3) . . ?
C69 C121 C74 121.8(3) . . ?
C73 C121 K1 79.6(2) . . ?
C69 C121 K1 76.4(2) . . ?
C74 C121 K1 113.0(2) . . ?
Dy2 Cl1 K2 129.24(3) . . ?
Dy2 Cl1 K1 97.95(3) . . ?
K2 Cl1 K1 91.61(3) . . ?
Dy2 Cl2 K1 95.57(3) . . ?
Dy1 Cl3 K1 116.05(3) . . ?
Dy1 Cl3 K2 89.69(3) . . ?
K1 Cl3 K2 82.48(3) . . ?
Dy1 Cl4 K2 98.49(3) . . ?
Cl4 Dy1 Cl3 91.62(3) . . ?
Cl4 Dy1 C44 79.94(8) . . ?
Cl3 Dy1 C44 119.27(7) . . ?
Cl4 Dy1 C77 111.13(7) . . ?
Cl3 Dy1 C77 130.29(7) . . ?
C44 Dy1 C77 108.21(10) . . ?
Cl4 Dy1 C43 104.66(8) . . ?
Cl3 Dy1 C43 135.13(7) . . ?
C44 Dy1 C43 30.67(10) . . ?
C77 Dy1 C43 82.46(10) . . ?
Cl4 Dy1 C78 135.95(8) . . ?
Cl3 Dy1 C78 103.96(7) . . ?
C44 Dy1 C78 123.44(10) . . ?
C77 Dy1 C78 30.96(10) . . ?
C43 Dy1 C78 92.84(10) . . ?
Cl4 Dy1 C47 129.99(8) . . ?
Cl3 Dy1 C47 110.02(7) . . ?
C44 Dy1 C47 50.07(10) . . ?
C77 Dy1 C47 88.78(10) . . ?
C43 Dy1 C47 30.61(10) . . ?
C78 Dy1 C47 83.05(10) . . ?
Cl4 Dy1 C79 118.84(7) . . ?
Cl3 Dy1 C79 80.34(7) . . ?
C44 Dy1 C79 153.93(10) . . ?
C77 Dy1 C79 49.96(10) . . ?
C43 Dy1 C79 123.31(10) . . ?
C78 Dy1 C79 30.49(10) . . ?
C47 Dy1 C79 109.17(10) . . ?
Cl4 Dy1 C45 87.30(7) . . ?
Cl3 Dy1 C45 89.76(7) . . ?
C44 Dy1 C45 30.47(10) . . ?
C77 Dy1 C45 132.99(10) . . ?
C43 Dy1 C45 50.67(10) . . ?
C78 Dy1 C45 132.74(10) . . ?
C47 Dy1 C45 49.99(10) . . ?
C79 Dy1 C45 152.03(10) . . ?
Cl4 Dy1 C76 85.78(7) . . ?
Cl3 Dy1 C76 118.21(7) . . ?
C44 Dy1 C76 120.86(10) . . ?
C77 Dy1 C76 30.14(10) . . ?
C43 Dy1 C76 104.67(10) . . ?
C78 Dy1 C76 50.46(9) . . ?
C47 Dy1 C76 118.15(10) . . ?
C79 Dy1 C76 49.46(9) . . ?
C45 Dy1 C76 151.32(10) . . ?
Cl4 Dy1 C46 117.19(7) . . ?
Cl3 Dy1 C46 85.00(7) . . ?
C44 Dy1 C46 49.90(10) . . ?
C77 Dy1 C46 118.10(10) . . ?
C43 Dy1 C46 50.29(10) . . ?
C78 Dy1 C46 105.19(10) . . ?
C47 Dy1 C46 30.01(9) . . ?
C79 Dy1 C46 122.17(10) . . ?
C45 Dy1 C46 30.20(9) . . ?
C76 Dy1 C46 147.99(9) . . ?
Cl4 Dy1 C75 90.10(7) . . ?
Cl3 Dy1 C75 88.56(7) . . ?
C44 Dy1 C75 150.40(10) . . ?
C77 Dy1 C75 49.76(10) . . ?
C43 Dy1 C75 131.89(9) . . ?
C78 Dy1 C75 50.31(10) . . ?
C47 Dy1 C75 133.13(9) . . ?
C79 Dy1 C75 29.92(9) . . ?
C45 Dy1 C75 176.87(9) . . ?
C76 Dy1 C75 29.89(9) . . ?
C46 Dy1 C75 152.06(9) . . ?
Cl2 Dy2 Cl1 87.19(3) . . ?
Cl2 Dy2 C29 82.26(8) . . ?
Cl1 Dy2 C29 113.06(8) . . ?
Cl2 Dy2 C25 101.18(8) . . ?
Cl1 Dy2 C25 137.72(8) . . ?
C29 Dy2 C25 30.83(11) . . ?
Cl2 Dy2 C8 110.56(8) . . ?
Cl1 Dy2 C8 130.85(8) . . ?
C29 Dy2 C8 114.51(10) . . ?
C25 Dy2 C8 85.06(11) . . ?
Cl2 Dy2 C7 134.21(8) . . ?
Cl1 Dy2 C7 105.27(7) . . ?
C29 Dy2 C7 128.20(10) . . ?
C25 Dy2 C7 98.10(11) . . ?
C8 Dy2 C7 31.04(10) . . ?
Cl2 Dy2 C11 116.00(7) . . ?
Cl1 Dy2 C11 80.48(7) . . ?
C29 Dy2 C11 158.61(10) . . ?
C25 Dy2 C11 128.80(10) . . ?
C8 Dy2 C11 50.40(10) . . ?
C7 Dy2 C11 30.72(9) . . ?
Cl2 Dy2 C26 130.71(8) . . ?
Cl1 Dy2 C26 119.90(8) . . ?
C29 Dy2 C26 50.21(11) . . ?
C25 Dy2 C26 30.85(11) . . ?
C8 Dy2 C26 83.25(11) . . ?
C7 Dy2 C26 80.99(10) . . ?
C11 Dy2 C26 109.05(10) . . ?
Cl2 Dy2 C28 96.63(8) . . ?
Cl1 Dy2 C28 86.88(8) . . ?
C29 Dy2 C28 30.70(11) . . ?
C25 Dy2 C28 51.19(11) . . ?
C8 Dy2 C28 132.65(10) . . ?
C7 Dy2 C28 127.34(10) . . ?
C11 Dy2 C28 144.07(11) . . ?
C26 Dy2 C28 50.27(10) . . ?
Cl2 Dy2 C10 86.79(7) . . ?
Cl1 Dy2 C10 87.26(7) . . ?
C29 Dy2 C10 156.23(11) . . ?
C25 Dy2 C10 134.11(10) . . ?
C8 Dy2 C10 50.55(10) . . ?
C7 Dy2 C10 51.10(10) . . ?
C11 Dy2 C10 30.60(10) . . ?
C26 Dy2 C10 130.77(10) . . ?
C28 Dy2 C10 173.06(10) . . ?
Cl2 Dy2 C27 127.19(8) . . ?
Cl1 Dy2 C27 91.06(7) . . ?
C29 Dy2 C27 50.45(11) . . ?
C25 Dy2 C27 50.95(11) . . ?
C8 Dy2 C27 109.94(10) . . ?
C7 Dy2 C27 97.01(10) . . ?
C11 Dy2 C27 115.68(10) . . ?
C26 Dy2 C27 30.16(11) . . ?
C28 Dy2 C27 30.65(10) . . ?
C10 Dy2 C27 145.88(10) . . ?
Cl2 Dy2 C9 84.09(7) . . ?
Cl1 Dy2 C9 117.25(7) . . ?
C29 Dy2 C9 126.84(11) . . ?
C25 Dy2 C9 104.86(11) . . ?
C8 Dy2 C9 30.36(10) . . ?
C7 Dy2 C9 50.78(10) . . ?
C11 Dy2 C9 50.07(10) . . ?
C26 Dy2 C9 112.09(10) . . ?
C28 Dy2 C9 155.84(10) . . ?
C10 Dy2 C9 30.38(10) . . ?
C27 Dy2 C9 140.21(10) . . ?
Cl1 K1 Cl3 76.73(3) . . ?
Cl1 K1 Cl2 70.26(3) . . ?
Cl3 K1 Cl2 139.99(4) . . ?
Cl1 K1 C115 96.34(6) . . ?
Cl3 K1 C115 138.09(7) . . ?
Cl2 K1 C115 68.98(6) . . ?
Cl1 K1 C69 125.93(7) . . ?
Cl3 K1 C69 111.24(7) . . ?
Cl2 K1 C69 73.20(7) . . ?
C115 K1 C69 106.14(9) . . ?
Cl1 K1 C116 117.23(7) . . ?
Cl3 K1 C116 126.16(7) . . ?
Cl2 K1 C116 89.60(7) . . ?
C115 K1 C116 24.72(8) . . ?
C69 K1 C116 100.71(10) . . ?
Cl1 K1 C121 141.00(7) . . ?
Cl3 K1 C121 127.18(7) . . ?
Cl2 K1 C121 73.58(7) . . ?
C115 K1 C121 83.79(9) . . ?
C69 K1 C121 24.63(9) . . ?
C116 K1 C121 76.09(9) . . ?
Cl1 K1 C70 125.55(7) . . ?
Cl3 K1 C70 86.95(6) . . ?
Cl2 K1 C70 94.15(6) . . ?
C115 K1 C70 127.11(9) . . ?
C69 K1 C70 24.60(9) . . ?
C116 K1 C70 114.32(9) . . ?
C121 K1 C70 43.48(9) . . ?
Cl1 K1 C114 73.87(6) . . ?
Cl3 K1 C114 120.23(7) . . ?
Cl2 K1 C114 71.42(6) . . ?
C115 K1 C114 24.82(8) . . ?
C69 K1 C114 128.22(9) . . ?
C116 K1 C114 43.47(8) . . ?
C121 K1 C114 107.84(9) . . ?
C70 K1 C114 151.30(9) . . ?
Cl1 K1 C73 165.13(7) . . ?
Cl3 K1 C73 114.59(7) . . ?
Cl2 K1 C73 95.41(7) . . ?
C115 K1 C73 81.55(9) . . ?
C69 K1 C73 42.37(9) . . ?
C116 K1 C73 64.98(9) . . ?
C121 K1 C73 24.30(9) . . ?
C70 K1 C73 49.37(9) . . ?
C114 K1 C73 105.98(9) . . ?
Cl1 K1 C117 115.15(7) . . ?
Cl3 K1 C117 101.87(7) . . ?
Cl2 K1 C117 112.15(7) . . ?
C115 K1 C117 43.41(9) . . ?
C69 K1 C117 114.90(10) . . ?
C116 K1 C117 24.30(9) . . ?
C121 K1 C117 91.58(10) . . ?
C70 K1 C117 118.98(9) . . ?
C114 K1 C117 50.75(8) . . ?
C73 K1 C117 73.26(9) . . ?
Cl1 K1 C119 72.70(7) . . ?
Cl3 K1 C119 97.11(7) . . ?
Cl2 K1 C119 94.10(6) . . ?
C115 K1 C119 42.76(9) . . ?
C69 K1 C119 148.49(10) . . ?
C116 K1 C119 49.44(9) . . ?
C121 K1 C119 124.56(10) . . ?
C70 K1 C119 161.69(9) . . ?
C114 K1 C119 24.36(9) . . ?
C73 K1 C119 113.50(9) . . ?
C117 K1 C119 42.71(9) . . ?
Cl1 K2 C60 107.29(7) . . ?
Cl1 K2 Cl4 121.94(4) . . ?
C60 K2 Cl4 96.66(7) . . ?
Cl1 K2 C59 101.65(8) . . ?
C60 K2 C59 25.87(9) . . ?
Cl4 K2 C59 119.27(7) . . ?
Cl1 K2 C33 118.08(8) . . ?
C60 K2 C33 127.01(11) . . ?
Cl4 K2 C33 82.12(8) . . ?
C59 K2 C33 114.08(12) . . ?
Cl1 K2 C34 100.01(8) . . ?
C60 K2 C34 151.16(11) . . ?
Cl4 K2 C34 76.05(7) . . ?
C59 K2 C34 138.58(11) . . ?
C33 K2 C34 25.32(11) . . ?
Cl1 K2 C32 108.19(8) . . ?
C60 K2 C32 116.85(11) . . ?
Cl4 K2 C32 106.20(8) . . ?
C59 K2 C32 96.38(11) . . ?
C33 K2 C32 24.81(11) . . ?
C34 K2 C32 43.06(11) . . ?
Cl1 K2 C55 129.80(7) . . ?
C60 K2 C55 25.12(9) . . ?
Cl4 K2 C55 74.88(6) . . ?
C59 K2 C55 44.40(9) . . ?
C33 K2 C55 110.62(10) . . ?
C34 K2 C55 130.09(10) . . ?
C32 K2 C55 110.93(10) . . ?
Cl1 K2 C35 76.39(7) . . ?
C60 K2 C35 164.99(10) . . ?
Cl4 K2 C35 93.36(7) . . ?
C59 K2 C35 139.78(10) . . ?
C33 K2 C35 43.60(10) . . ?
C34 K2 C35 24.29(10) . . ?
C32 K2 C35 49.15(11) . . ?
C55 K2 C35 153.74(9) . . ?
Cl1 K2 C58 116.66(8) . . ?
C60 K2 C58 43.72(9) . . ?
Cl4 K2 C58 117.10(7) . . ?
C59 K2 C58 24.22(10) . . ?
C33 K2 C58 89.89(12) . . ?
C34 K2 C58 114.68(11) . . ?
C32 K2 C58 73.79(11) . . ?
C55 K2 C58 50.28(8) . . ?
C35 K2 C58 121.40(10) . . ?
Cl1 K2 C31 84.73(7) . . ?
C60 K2 C31 123.98(10) . . ?
Cl4 K2 C31 123.30(7) . . ?
C59 K2 C31 98.77(10) . . ?
C33 K2 C31 42.74(10) . . ?
C34 K2 C31 48.86(10) . . ?
C32 K2 C31 23.64(9) . . ?
C55 K2 C31 128.10(9) . . ?
C35 K2 C31 41.13(10) . . ?
C58 K2 C31 81.45(9) . . ?
Cl1 K2 Cl3 72.29(3) . . ?
C60 K2 Cl3 68.58(7) . . ?
Cl4 K2 Cl3 68.82(3) . . ?
C59 K2 Cl3 89.83(7) . . ?
C33 K2 Cl3 149.17(9) . . ?
C34 K2 Cl3 130.49(8) . . ?
C32 K2 Cl3 173.49(9) . . ?
C55 K2 Cl3 72.32(6) . . ?
C35 K2 Cl3 125.81(7) . . ?
C58 K2 Cl3 112.01(7) . . ?
C31 K2 Cl3 156.69(7) . . ?
C1B C122 C1A 117.4(15) . . ?
C1B C122 H122 121.3 . . ?
C1A C122 H122 121.3 . . ?
C122 C1A C1C 117.3(16) . . ?
C122 C1A H1A 121.4 . . ?
C1C C1A H1A 121.4 . . ?
C122 C1B C1D 122.4(14) . . ?
C122 C1B C1E 117.3(15) . . ?
C1D C1B C1E 118.6(16) . . ?
C1F C1C C1A 123.7(17) . . ?
C1F C1C H1C 118.2 . . ?
C1A C1C H1C 118.2 . . ?
C1F C1D C1B 118.2(16) . . ?
C1F C1D H1D 120.9 . . ?
C1B C1D H1D 120.9 . . ?
C1B C1E H1EA 109.5 . . ?
C1B C1E H1EB 109.5 . . ?
H1EA C1E H1EB 109.5 . . ?
C1B C1E H1EC 109.5 . . ?
H1EA C1E H1EC 109.5 . . ?
H1EB C1E H1EC 109.5 . . ?
C1C C1F C1D 120.0(16) . . ?
C1C C1F H1F 120.0 . . ?
C1D C1F H1F 120.0 . . ?
C1H C1G H1GA 109.5 . . ?
C1H C1G H1GB 109.5 . . ?
H1GA C1G H1GB 109.5 . . ?
C1H C1G H1GC 109.5 . . ?
H1GA C1G H1GC 109.5 . . ?
H1GB C1G H1GC 109.5 . . ?
C1M C1H C1I 117.2(9) . . ?
C1M C1H C1G 121.4(11) . . ?
C1I C1H C1G 121.4(11) . . ?
C1J C1I C1H 122.0(11) . . ?
C1J C1I H1I 119.0 . . ?
C1H C1I H1I 119.0 . . ?
C1I C1J C1K 119.3(11) . . ?
C1I C1J H1J 120.3 . . ?
C1K C1J H1J 120.3 . . ?
C1J C1K C1L 119.5(10) . . ?
C1J C1K H1K 120.2 . . ?
C1L C1K H1K 120.2 . . ?
C1M C1L C1K 118.7(10) . . ?
C1M C1L H1L 120.6 . . ?
C1K C1L H1L 120.6 . . ?
C1H C1M C1L 123.3(10) . . ?
C1H C1M H1M 118.4 . . ?
C1L C1M H1M 118.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 1.1(7) . . . . ?
C1 C2 C3 C4 0.4(7) . . . . ?
C2 C3 C4 C5 -1.3(7) . . . . ?
C3 C4 C5 C6 0.7(6) . . . . ?
C2 C1 C6 C5 -1.6(6) . . . . ?
C2 C1 C6 C7 175.3(4) . . . . ?
C4 C5 C6 C1 0.7(6) . . . . ?
C4 C5 C6 C7 -176.2(4) . . . . ?
C1 C6 C7 C11 -19.8(5) . . . . ?
C5 C6 C7 C11 157.0(4) . . . . ?
C1 C6 C7 C8 167.2(4) . . . . ?
C5 C6 C7 C8 -16.0(6) . . . . ?
C1 C6 C7 Dy2 73.5(4) . . . . ?
C5 C6 C7 Dy2 -109.7(3) . . . . ?
C11 C7 C8 C9 -2.3(4) . . . . ?
C6 C7 C8 C9 171.8(3) . . . . ?
Dy2 C7 C8 C9 -70.9(2) . . . . ?
C11 C7 C8 Dy2 68.7(2) . . . . ?
C6 C7 C8 Dy2 -117.2(3) . . . . ?
C7 C8 C9 C10 2.6(4) . . . . ?
Dy2 C8 C9 C10 -66.2(2) . . . . ?
C7 C8 C9 C12 -169.5(3) . . . . ?
Dy2 C8 C9 C12 121.7(3) . . . . ?
C7 C8 C9 Dy2 68.8(2) . . . . ?
C8 C9 C10 C11 -1.8(4) . . . . ?
C12 C9 C10 C11 169.6(3) . . . . ?
Dy2 C9 C10 C11 -66.3(2) . . . . ?
C8 C9 C10 C114 -179.9(3) . . . . ?
C12 C9 C10 C114 -8.4(6) . . . . ?
Dy2 C9 C10 C114 115.7(3) . . . . ?
C8 C9 C10 Dy2 64.5(2) . . . . ?
C12 C9 C10 Dy2 -124.1(4) . . . . ?
C8 C7 C11 C10 1.1(4) . . . . ?
C6 C7 C11 C10 -173.2(3) . . . . ?
Dy2 C7 C11 C10 69.3(2) . . . . ?
C8 C7 C11 Dy2 -68.2(2) . . . . ?
C6 C7 C11 Dy2 117.5(3) . . . . ?
C9 C10 C11 C7 0.5(4) . . . . ?
C114 C10 C11 C7 178.6(3) . . . . ?
Dy2 C10 C11 C7 -67.7(2) . . . . ?
C9 C10 C11 Dy2 68.1(2) . . . . ?
C114 C10 C11 Dy2 -113.7(3) . . . . ?
C8 C9 C12 C13 -65.9(5) . . . . ?
C10 C9 C12 C13 123.8(4) . . . . ?
Dy2 C9 C12 C13 24.5(5) . . . . ?
C8 C9 C12 C17 110.8(4) . . . . ?
C10 C9 C12 C17 -59.5(5) . . . . ?
Dy2 C9 C12 C17 -158.8(3) . . . . ?
C17 C12 C13 C14 1.9(6) . . . . ?
C9 C12 C13 C14 178.7(4) . . . . ?
C12 C13 C14 C15 -0.6(7) . . . . ?
C13 C14 C15 C16 -1.1(7) . . . . ?
C13 C14 C15 C18 178.1(4) . . . . ?
C14 C15 C16 C17 1.6(7) . . . . ?
C18 C15 C16 C17 -177.6(4) . . . . ?
C13 C12 C17 C16 -1.4(6) . . . . ?
C9 C12 C17 C16 -178.3(4) . . . . ?
C15 C16 C17 C12 -0.3(7) . . . . ?
C24 C19 C20 C21 0.3(7) . . . . ?
C19 C20 C21 C22 1.1(8) . . . . ?
C20 C21 C22 C23 -1.2(8) . . . . ?
C21 C22 C23 C24 0.0(7) . . . . ?
C22 C23 C24 C19 1.3(6) . . . . ?
C22 C23 C24 C25 179.5(4) . . . . ?
C20 C19 C24 C23 -1.5(6) . . . . ?
C20 C19 C24 C25 -179.7(4) . . . . ?
C23 C24 C25 C29 -2.3(6) . . . . ?
C19 C24 C25 C29 175.9(4) . . . . ?
C23 C24 C25 C26 -177.5(4) . . . . ?
C19 C24 C25 C26 0.6(6) . . . . ?
C23 C24 C25 Dy2 89.5(4) . . . . ?
C19 C24 C25 Dy2 -92.3(4) . . . . ?
C29 C25 C26 C27 -0.1(4) . . . . ?
C24 C25 C26 C27 175.9(3) . . . . ?
Dy2 C25 C26 C27 -69.0(2) . . . . ?
C29 C25 C26 Dy2 68.9(2) . . . . ?
C24 C25 C26 Dy2 -115.1(3) . . . . ?
C25 C26 C27 C28 0.2(4) . . . . ?
Dy2 C26 C27 C28 -66.5(2) . . . . ?
C25 C26 C27 C62 -171.7(3) . . . . ?
Dy2 C26 C27 C62 121.5(3) . . . . ?
C25 C26 C27 Dy2 66.7(2) . . . . ?
C26 C27 C28 C29 -0.2(4) . . . . ?
C62 C27 C28 C29 171.3(3) . . . . ?
Dy2 C27 C28 C29 -66.1(2) . . . . ?
C26 C27 C28 C30 -174.7(3) . . . . ?
C62 C27 C28 C30 -3.2(6) . . . . ?
Dy2 C27 C28 C30 119.4(3) . . . . ?
C26 C27 C28 Dy2 65.9(2) . . . . ?
C62 C27 C28 Dy2 -122.6(3) . . . . ?
C26 C25 C29 C28 0.0(4) . . . . ?
C24 C25 C29 C28 -176.0(3) . . . . ?
Dy2 C25 C29 C28 69.6(2) . . . . ?
C26 C25 C29 Dy2 -69.6(2) . . . . ?
C24 C25 C29 Dy2 114.4(3) . . . . ?
C27 C28 C29 C25 0.1(4) . . . . ?
C30 C28 C29 C25 174.9(3) . . . . ?
Dy2 C28 C29 C25 -68.1(2) . . . . ?
C27 C28 C29 Dy2 68.2(2) . . . . ?
C30 C28 C29 Dy2 -117.0(3) . . . . ?
C29 C28 C30 C31 -145.8(4) . . . . ?
C27 C28 C30 C31 27.8(5) . . . . ?
Dy2 C28 C30 C31 124.6(3) . . . . ?
C29 C28 C30 C35 30.5(5) . . . . ?
C27 C28 C30 C35 -155.9(3) . . . . ?
Dy2 C28 C30 C35 -59.1(4) . . . . ?
C29 C28 C30 K2 118.2(3) . . . . ?
C27 C28 C30 K2 -68.2(4) . . . . ?
Dy2 C28 C30 K2 28.6(4) . . . . ?
C35 C30 C31 C32 -0.6(5) . . . . ?
C28 C30 C31 C32 175.7(3) . . . . ?
K2 C30 C31 C32 -61.2(3) . . . . ?
C35 C30 C31 K2 60.6(3) . . . . ?
C28 C30 C31 K2 -123.0(3) . . . . ?
C30 C31 C32 C33 -0.4(6) . . . . ?
K2 C31 C32 C33 -66.4(3) . . . . ?
C30 C31 C32 K2 66.0(3) . . . . ?
C31 C32 C33 C34 0.7(6) . . . . ?
K2 C32 C33 C34 -72.2(3) . . . . ?
C31 C32 C33 C36 -179.6(4) . . . . ?
K2 C32 C33 C36 107.5(4) . . . . ?
C31 C32 C33 K2 72.9(4) . . . . ?
C32 C33 C34 C35 -0.1(6) . . . . ?
C36 C33 C34 C35 -179.7(4) . . . . ?
K2 C33 C34 C35 -74.9(3) . . . . ?
C32 C33 C34 K2 74.8(3) . . . . ?
C36 C33 C34 K2 -104.9(4) . . . . ?
C33 C34 C35 C30 -1.0(6) . . . . ?
K2 C34 C35 C30 -71.7(3) . . . . ?
C33 C34 C35 K2 70.7(3) . . . . ?
C31 C30 C35 C34 1.3(5) . . . . ?
C28 C30 C35 C34 -175.2(3) . . . . ?
K2 C30 C35 C34 64.5(3) . . . . ?
C31 C30 C35 K2 -63.2(3) . . . . ?
C28 C30 C35 K2 120.4(3) . . . . ?
C42 C37 C38 C39 -0.7(7) . . . . ?
C37 C38 C39 C40 1.4(8) . . . . ?
C38 C39 C40 C41 -0.8(8) . . . . ?
C39 C40 C41 C42 -0.7(8) . . . . ?
C38 C37 C42 C41 -0.7(6) . . . . ?
C38 C37 C42 C43 176.6(4) . . . . ?
C40 C41 C42 C37 1.4(7) . . . . ?
C40 C41 C42 C43 -175.9(4) . . . . ?
C37 C42 C43 C44 -161.8(4) . . . . ?
C41 C42 C43 C44 15.4(6) . . . . ?
C37 C42 C43 C47 9.7(6) . . . . ?
C41 C42 C43 C47 -173.1(4) . . . . ?
C37 C42 C43 Dy1 104.8(4) . . . . ?
C41 C42 C43 Dy1 -78.0(4) . . . . ?
C47 C43 C44 C45 -1.8(4) . . . . ?
C42 C43 C44 C45 171.1(3) . . . . ?
Dy1 C43 C44 C45 -70.8(2) . . . . ?
C47 C43 C44 Dy1 69.0(2) . . . . ?
C42 C43 C44 Dy1 -118.1(3) . . . . ?
C43 C44 C45 C46 0.5(4) . . . . ?
Dy1 C44 C45 C46 -68.5(2) . . . . ?
C43 C44 C45 C55 -175.9(3) . . . . ?
Dy1 C44 C45 C55 115.1(3) . . . . ?
C43 C44 C45 Dy1 68.9(2) . . . . ?
C44 C45 C46 C47 1.1(4) . . . . ?
C55 C45 C46 C47 177.3(3) . . . . ?
Dy1 C45 C46 C47 -64.5(2) . . . . ?
C44 C45 C46 C48 -165.9(3) . . . . ?
C55 C45 C46 C48 10.3(6) . . . . ?
Dy1 C45 C46 C48 128.5(3) . . . . ?
C44 C45 C46 Dy1 65.6(2) . . . . ?
C55 C45 C46 Dy1 -118.2(3) . . . . ?
C44 C43 C47 C46 2.5(4) . . . . ?
C42 C43 C47 C46 -170.4(3) . . . . ?
Dy1 C43 C47 C46 70.9(2) . . . . ?
C44 C43 C47 Dy1 -68.4(2) . . . . ?
C42 C43 C47 Dy1 118.8(3) . . . . ?
C45 C46 C47 C43 -2.2(4) . . . . ?
C48 C46 C47 C43 165.8(3) . . . . ?
Dy1 C46 C47 C43 -68.1(2) . . . . ?
C45 C46 C47 Dy1 65.9(2) . . . . ?
C48 C46 C47 Dy1 -126.1(3) . . . . ?
C47 C46 C48 C53 58.8(5) . . . . ?
C45 C46 C48 C53 -136.0(4) . . . . ?
Dy1 C46 C48 C53 -34.1(4) . . . . ?
C47 C46 C48 C49 -114.8(4) . . . . ?
C45 C46 C48 C49 50.4(5) . . . . ?
Dy1 C46 C48 C49 152.3(3) . . . . ?
C53 C48 C49 C50 0.1(5) . . . . ?
C46 C48 C49 C50 174.1(3) . . . . ?
C48 C49 C50 C51 -0.3(6) . . . . ?
C49 C50 C51 C52 0.0(6) . . . . ?
C49 C50 C51 C54 178.1(4) . . . . ?
C50 C51 C52 C53 0.5(5) . . . . ?
C54 C51 C52 C53 -177.6(4) . . . . ?
C51 C52 C53 C48 -0.8(5) . . . . ?
C49 C48 C53 C52 0.5(5) . . . . ?
C46 C48 C53 C52 -173.4(3) . . . . ?
C44 C45 C55 C60 -163.6(3) . . . . ?
C46 C45 C55 C60 20.8(5) . . . . ?
Dy1 C45 C55 C60 -75.4(4) . . . . ?
C44 C45 C55 C56 18.4(5) . . . . ?
C46 C45 C55 C56 -157.3(3) . . . . ?
Dy1 C45 C55 C56 106.6(3) . . . . ?
C44 C45 C55 K2 -83.0(3) . . . . ?
C46 C45 C55 K2 101.4(3) . . . . ?
Dy1 C45 C55 K2 5.2(3) . . . . ?
C60 C55 C56 C57 0.1(5) . . . . ?
C45 C55 C56 C57 178.3(3) . . . . ?
K2 C55 C56 C57 -64.4(4) . . . . ?
C60 C55 C56 K2 64.5(3) . . . . ?
C45 C55 C56 K2 -117.3(3) . . . . ?
C55 C56 C57 C58 -0.7(6) . . . . ?
K2 C56 C57 C58 -59.8(4) . . . . ?
C55 C56 C57 K2 59.1(3) . . . . ?
C56 C57 C58 C59 0.5(6) . . . . ?
K2 C57 C58 C59 -61.3(3) . . . . ?
C56 C57 C58 C61 -178.4(4) . . . . ?
K2 C57 C58 C61 119.7(4) . . . . ?
C56 C57 C58 K2 61.8(4) . . . . ?
C57 C58 C59 C60 0.2(6) . . . . ?
C61 C58 C59 C60 179.2(4) . . . . ?
K2 C58 C59 C60 -70.4(3) . . . . ?
C57 C58 C59 K2 70.6(3) . . . . ?
C61 C58 C59 K2 -110.4(3) . . . . ?
C58 C59 C60 C55 -0.8(6) . . . . ?
K2 C59 C60 C55 -78.7(3) . . . . ?
C58 C59 C60 K2 77.8(3) . . . . ?
C56 C55 C60 C59 0.6(5) . . . . ?
C45 C55 C60 C59 -177.5(3) . . . . ?
K2 C55 C60 C59 75.3(3) . . . . ?
C56 C55 C60 K2 -74.7(3) . . . . ?
C45 C55 C60 K2 107.2(3) . . . . ?
C26 C27 C62 C67 -117.1(4) . . . . ?
C28 C27 C62 C67 72.7(5) . . . . ?
Dy2 C27 C62 C67 -24.5(5) . . . . ?
C26 C27 C62 C63 63.6(5) . . . . ?
C28 C27 C62 C63 -106.5(4) . . . . ?
Dy2 C27 C62 C63 156.2(3) . . . . ?
C67 C62 C63 C64 -3.0(7) . . . . ?
C27 C62 C63 C64 176.3(4) . . . . ?
C62 C63 C64 C65 1.2(8) . . . . ?
C63 C64 C65 C66 1.7(7) . . . . ?
C63 C64 C65 C68 -174.7(4) . . . . ?
C64 C65 C66 C67 -2.7(6) . . . . ?
C68 C65 C66 C67 173.8(4) . . . . ?
C63 C62 C67 C66 2.0(6) . . . . ?
C27 C62 C67 C66 -177.3(4) . . . . ?
C65 C66 C67 C62 0.9(6) . . . . ?
C121 C69 C70 C71 0.4(5) . . . . ?
K1 C69 C70 C71 -69.6(3) . . . . ?
C121 C69 C70 K1 69.9(3) . . . . ?
C69 C70 C71 C72 -0.6(5) . . . . ?
K1 C70 C71 C72 -67.7(3) . . . . ?
C69 C70 C71 C75 -179.0(3) . . . . ?
K1 C70 C71 C75 113.9(3) . . . . ?
C69 C70 C71 K1 67.1(3) . . . . ?
C70 C71 C72 C73 0.2(5) . . . . ?
C75 C71 C72 C73 178.7(3) . . . . ?
K1 C71 C72 C73 -65.9(3) . . . . ?
C70 C71 C72 K1 66.2(3) . . . . ?
C75 C71 C72 K1 -115.3(3) . . . . ?
C71 C72 C73 C121 0.4(5) . . . . ?
K1 C72 C73 C121 -66.4(3) . . . . ?
C71 C72 C73 K1 66.7(3) . . . . ?
C72 C71 C75 C79 37.3(5) . . . . ?
C70 C71 C75 C79 -144.2(3) . . . . ?
K1 C71 C75 C79 -54.2(4) . . . . ?
C72 C71 C75 C76 -135.8(3) . . . . ?
C70 C71 C75 C76 42.7(5) . . . . ?
K1 C71 C75 C76 132.8(3) . . . . ?
C72 C71 C75 Dy1 127.2(3) . . . . ?
C70 C71 C75 Dy1 -54.4(4) . . . . ?
K1 C71 C75 Dy1 35.7(3) . . . . ?
C79 C75 C76 C77 1.0(3) . . . . ?
C71 C75 C76 C77 175.0(3) . . . . ?
Dy1 C75 C76 C77 -64.3(2) . . . . ?
C79 C75 C76 C86 -167.3(3) . . . . ?
C71 C75 C76 C86 6.7(5) . . . . ?
Dy1 C75 C76 C86 127.3(3) . . . . ?
C79 C75 C76 Dy1 65.4(2) . . . . ?
C71 C75 C76 Dy1 -120.6(3) . . . . ?
C75 C76 C77 C78 -2.0(4) . . . . ?
C86 C76 C77 C78 167.2(3) . . . . ?
Dy1 C76 C77 C78 -69.3(2) . . . . ?
C75 C76 C77 Dy1 67.3(2) . . . . ?
C86 C76 C77 Dy1 -123.5(3) . . . . ?
C76 C77 C78 C79 2.1(4) . . . . ?
Dy1 C77 C78 C79 -69.9(2) . . . . ?
C76 C77 C78 C80 -174.9(3) . . . . ?
Dy1 C77 C78 C80 113.1(3) . . . . ?
C76 C77 C78 Dy1 72.0(2) . . . . ?
C77 C78 C79 C75 -1.4(4) . . . . ?
C80 C78 C79 C75 175.6(3) . . . . ?
Dy1 C78 C79 C75 -70.2(2) . . . . ?
C77 C78 C79 Dy1 68.7(2) . . . . ?
C80 C78 C79 Dy1 -114.2(3) . . . . ?
C76 C75 C79 C78 0.3(4) . . . . ?
C71 C75 C79 C78 -174.1(3) . . . . ?
Dy1 C75 C79 C78 67.3(2) . . . . ?
C76 C75 C79 Dy1 -67.1(2) . . . . ?
C71 C75 C79 Dy1 118.6(3) . . . . ?
C79 C78 C80 C81 -160.6(3) . . . . ?
C77 C78 C80 C81 15.8(5) . . . . ?
Dy1 C78 C80 C81 106.6(3) . . . . ?
C79 C78 C80 C85 19.2(5) . . . . ?
C77 C78 C80 C85 -164.4(3) . . . . ?
Dy1 C78 C80 C85 -73.7(4) . . . . ?
C85 C80 C81 C82 3.0(5) . . . . ?
C78 C80 C81 C82 -177.3(3) . . . . ?
C80 C81 C82 C83 -0.9(6) . . . . ?
C81 C82 C83 C84 -1.7(6) . . . . ?
C82 C83 C84 C85 2.1(6) . . . . ?
C83 C84 C85 C80 0.0(6) . . . . ?
C81 C80 C85 C84 -2.6(5) . . . . ?
C78 C80 C85 C84 177.7(3) . . . . ?
C77 C76 C86 C91 39.1(5) . . . . ?
C75 C76 C86 C91 -154.2(3) . . . . ?
Dy1 C76 C86 C91 -51.6(4) . . . . ?
C77 C76 C86 C87 -133.2(4) . . . . ?
C75 C76 C86 C87 33.6(5) . . . . ?
Dy1 C76 C86 C87 136.2(3) . . . . ?
C91 C86 C87 C88 -1.1(5) . . . . ?
C76 C86 C87 C88 171.4(3) . . . . ?
C86 C87 C88 C89 -0.4(6) . . . . ?
C87 C88 C89 C90 1.1(6) . . . . ?
C87 C88 C89 C92 -176.1(4) . . . . ?
C88 C89 C90 C91 -0.4(7) . . . . ?
C92 C89 C90 C91 176.8(4) . . . . ?
C87 C86 C91 C90 1.8(6) . . . . ?
C76 C86 C91 C90 -170.7(3) . . . . ?
C89 C90 C91 C86 -1.1(6) . . . . ?
C98 C93 C94 C95 -0.6(10) . . . . ?
C93 C94 C95 C96 -0.3(10) . . . . ?
C94 C95 C96 C97 1.7(9) . . . . ?
C95 C96 C97 C98 -2.1(9) . . . . ?
C95 C96 C97 C99 -176.3(7) . . . . ?
C94 C93 C98 C97 0.0(11) . . . . ?
C96 C97 C98 C93 1.3(11) . . . . ?
C99 C97 C98 C93 174.5(8) . . . . ?
C105 C100 C101 C102 0.3(10) . . . . ?
C100 C101 C102 C103 1.1(11) . . . . ?
C101 C102 C103 C104 -2.8(10) . . . . ?
C102 C103 C104 C105 3.1(8) . . . . ?
C102 C103 C104 C106 -178.3(6) . . . . ?
C106 C104 C105 C100 179.3(6) . . . . ?
C103 C104 C105 C100 -2.1(9) . . . . ?
C101 C100 C105 C104 0.3(9) . . . . ?
C112 C107 C108 C109 2.5(14) . . . . ?
C107 C108 C109 C110 -4.6(16) . . . . ?
C108 C109 C110 C111 -1.0(16) . . . . ?
C109 C110 C111 C112 8.4(14) . . . . ?
C108 C107 C112 C113 -176.6(8) . . . . ?
C108 C107 C112 C111 4.7(14) . . . . ?
C110 C111 C112 C107 -10.2(13) . . . . ?
C110 C111 C112 C113 171.1(8) . . . . ?
C11 C10 C114 C119 -6.7(5) . . . . ?
C9 C10 C114 C119 171.0(3) . . . . ?
Dy2 C10 C114 C119 -94.6(3) . . . . ?
C11 C10 C114 C115 172.7(3) . . . . ?
C9 C10 C114 C115 -9.6(5) . . . . ?
Dy2 C10 C114 C115 84.8(4) . . . . ?
C11 C10 C114 K1 85.1(3) . . . . ?
C9 C10 C114 K1 -97.2(4) . . . . ?
Dy2 C10 C114 K1 -2.8(3) . . . . ?
C119 C114 C115 C116 -2.6(5) . . . . ?
C10 C114 C115 C116 178.0(3) . . . . ?
K1 C114 C115 C116 -70.9(3) . . . . ?
C119 C114 C115 K1 68.3(3) . . . . ?
C10 C114 C115 K1 -111.2(3) . . . . ?
C114 C115 C116 C117 2.3(5) . . . . ?
K1 C115 C116 C117 -69.8(3) . . . . ?
C114 C115 C116 K1 72.1(3) . . . . ?
C115 C116 C117 C118 -0.5(6) . . . . ?
K1 C116 C117 C118 -68.3(3) . . . . ?
C115 C116 C117 C120 -179.9(4) . . . . ?
K1 C116 C117 C120 112.3(4) . . . . ?
C115 C116 C117 K1 67.7(3) . . . . ?
C116 C117 C118 C119 -0.7(6) . . . . ?
C120 C117 C118 C119 178.7(4) . . . . ?
K1 C117 C118 C119 -67.1(4) . . . . ?
C116 C117 C118 K1 66.3(3) . . . . ?
C120 C117 C118 K1 -114.3(4) . . . . ?
C117 C118 C119 C114 0.3(6) . . . . ?
K1 C118 C119 C114 -66.4(3) . . . . ?
C117 C118 C119 K1 66.8(4) . . . . ?
C115 C114 C119 C118 1.3(5) . . . . ?
C10 C114 C119 C118 -179.2(3) . . . . ?
K1 C114 C119 C118 67.1(4) . . . . ?
C115 C114 C119 K1 -65.7(3) . . . . ?
C10 C114 C119 K1 113.7(3) . . . . ?
C72 C73 C121 C69 -0.6(5) . . . . ?
K1 C73 C121 C69 -68.7(3) . . . . ?
C72 C73 C121 C74 178.7(3) . . . . ?
K1 C73 C121 C74 110.7(3) . . . . ?
C72 C73 C121 K1 68.1(3) . . . . ?
C70 C69 C121 C73 0.2(5) . . . . ?
K1 C69 C121 C73 70.5(3) . . . . ?
C70 C69 C121 C74 -179.1(3) . . . . ?
K1 C69 C121 C74 -108.8(3) . . . . ?
C70 C69 C121 K1 -70.3(3) . . . . ?
C1B C122 C1A C1C -12(3) . . . . ?
C1A C122 C1B C1D 9(3) . . . . ?
C1A C122 C1B C1E -156.1(17) . . . . ?
C122 C1A C1C C1F 9(3) . . . . ?
C122 C1B C1D C1F -1(3) . . . . ?
C1E C1B C1D C1F 163.5(17) . . . . ?
C1A C1C C1F C1D -1(3) . . . . ?
C1B C1D C1F C1C -3(3) . . . . ?
C1M C1H C1I C1J 3(3) . . . . ?
C1G C1H C1I C1J -179.4(16) . . . . ?
C1H C1I C1J C1K -1(3) . . . . ?
C1I C1J C1K C1L -1(2) . . . . ?
C1J C1K C1L C1M 0.9(19) . . . . ?
C1I C1H C1M C1L -3(3) . . . . ?
C1G C1H C1M C1L 179.2(14) . . . . ?
C1K C1L C1M C1H 1(2) . . . . ?

_refine_diff_density_max         0.944
_refine_diff_density_min         -0.484
_refine_diff_density_rms         0.087


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Tolene'
