# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# 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. 
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data_1
_database_code_depnum_ccdc_archive 'CCDC 2071880'
loop_
_audit_author_name
_audit_author_address
'Zhenhua Zhu'
;CIAC
China
;
_audit_update_record             
;
2021-03-21 deposited with the CCDC.	2022-09-25 downloaded from the CCDC.
;
_audit_creation_date             2020-09-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C100 H104 Dy I N2 O2, 2(C7 H8)'
_chemical_formula_sum            'C114 H120 Dy I N2 O2'
_chemical_formula_weight         1839.51
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   17.7162(4)
_cell_length_b                   25.8219(5)
_cell_length_c                   20.9529(5)
_cell_angle_alpha                90
_cell_angle_beta                 92.1670(10)
_cell_angle_gamma                90
_cell_volume                     9578.4(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9984
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      24.98
_cell_measurement_theta_min      2.20
_shelx_estimated_absorpt_T_max   0.977
_shelx_estimated_absorpt_T_min   0.972
_exptl_absorpt_coefficient_mu    1.153
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6585
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1514 before and 0.0708 after correction.
The Ratio of minimum to maximum transmission is 0.8837.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.276
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3812
_exptl_crystal_size_max          0.025
_exptl_crystal_size_mid          0.022
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0891
_diffrn_reflns_av_unetI/netI     0.0553
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            101844
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.046
_diffrn_reflns_theta_max         25.046
_diffrn_reflns_theta_min         2.099
_diffrn_ambient_temperature      180.0
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12877
_reflns_number_total             16900
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.617
_refine_diff_density_min         -1.060
_refine_diff_density_rms         0.090
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1087
_refine_ls_number_reflns         16900
_refine_ls_number_restraints     108
_refine_ls_R_factor_all          0.0664
_refine_ls_R_factor_gt           0.0441
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0205P)²+21.7707P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0852
_refine_ls_wR_factor_ref         0.0985
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid body (RIGU) restrains
 C112, C107, H107, C109, C110, C114, C108, H110, C111, H112, H11D, H11E, H11F,
 H108, H111
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C104, C101, H101, C102, C106, H102, C103, C105, C113, H103, H105, H11A, H11B,
 H11C, H104
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C61, C99, C100, C95
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
3.a Ternary CH refined with riding coordinates:
 C14(H14), C17(H17), C25(H25), C33(H33), C38(H38), C56(H56)
3.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6), C11(H11), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23),
 C26(H26), C29(H29), C36(H36), C40(H40), C41(H41), C42(H42), C49(H49), C52(H52),
  C54(H54), C55(H55), C58(H58), C59(H59), C60(H60), C62(H62), C63(H63),
 C64(H64), C65(H65), C66(H66), C67(H67), C68(H68), C69(H69), C70(H70), C72(H72),
  C73(H73), C75(H75), C76(H76), C77(H77), C78(H78), C79(H79), C80(H80),
 C82(H82), C83(H83), C86(H86), C88(H88), C89(H89), C90(H90), C92(H92), C93(H93),
  C94(H94), C96(H96), C97(H97), C98(H98), C101(H101), C102(H102), C103(H103),
 C104(H104), C105(H105), C107(H107), C108(H108), C110(H110), C111(H111),
 C112(H112)
3.c Fitted hexagon refined as free rotating group:
 C101(C102,C103,C104,C105,C106)
3.d Idealised Me refined as rotating group:
 C31(H31A,H31B,H31C), C45(H45A,H45B,H45C), C48(H48A,H48B,H48C), C50(H50A,H50B,
 H50C), C51(H51A,H51B,H51C), C53(H53A,H53B,H53C), C71(H71A,H71B,H71C), C74(H74A,
 H74B,H74C), C81(H81A,H81B,H81C), C84(H84A,H84B,H84C), C85(H85A,H85B,H85C),
 C87(H87A,H87B,H87C), C91(H91A,H91B,H91C), C95(H95A,H95B,H95C), C99(H99A,H99B,
 H99C), C100(H10A,H10B,H10C), C113(H11A,H11B,H11C), C114(H11D,H11E,H11F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.57917(2) 0.74074(2) 0.67552(2) 0.02866(6) Uani 1 1 d . . . . .
I1 I 0.70802(2) 0.81241(2) 0.68125(2) 0.05079(10) Uani 1 1 d . . . . .
O1 O 0.59607(16) 0.70504(12) 0.58577(14) 0.0333(7) Uani 1 1 d . . . . .
O2 O 0.53332(16) 0.75678(11) 0.76586(13) 0.0324(7) Uani 1 1 d . . . . .
N1 N 0.46376(18) 0.75798(13) 0.61370(16) 0.0271(8) Uani 1 1 d . . . . .
N2 N 0.59873(19) 0.66118(14) 0.73399(16) 0.0297(8) Uani 1 1 d . . . . .
C1 C 0.5448(2) 0.68683(17) 0.8375(2) 0.0330(10) Uani 1 1 d . . . . .
C2 C 0.4905(2) 0.71103(17) 0.5140(2) 0.0308(10) Uani 1 1 d . . . . .
C3 C 0.5319(3) 0.66512(18) 0.8975(2) 0.0366(11) Uani 1 1 d . . . . .
H3 H 0.542751 0.629493 0.904452 0.044 Uiso 1 1 calc R . . . .
C4 C 0.4076(2) 0.79298(16) 0.63811(19) 0.0279(9) Uani 1 1 d . . . . .
C5 C 0.7143(2) 0.61408(17) 0.7088(2) 0.0315(10) Uani 1 1 d . . . . .
C6 C 0.5790(2) 0.65249(17) 0.7923(2) 0.0315(10) Uani 1 1 d . . . . .
H6 H 0.588437 0.618338 0.807428 0.038 Uiso 1 1 calc R . . . .
C7 C 0.6355(2) 0.61668(16) 0.7064(2) 0.0296(10) Uani 1 1 d . . . . .
C8 C 0.5675(2) 0.69842(16) 0.5271(2) 0.0298(10) Uani 1 1 d . . . . .
C9 C 0.5034(2) 0.77110(17) 0.8760(2) 0.0316(10) Uani 1 1 d . . . . .
C10 C 0.5270(2) 0.73924(17) 0.8245(2) 0.0291(9) Uani 1 1 d . . . . .
C11 C 0.4571(3) 0.70109(17) 0.4534(2) 0.0358(11) Uani 1 1 d . . . . .
H11 H 0.405197 0.709087 0.445872 0.043 Uiso 1 1 calc R . . . .
C12 C 0.7057(3) 0.52923(17) 0.6575(2) 0.0360(11) Uani 1 1 d . . . . .
C13 C 0.5914(2) 0.57697(16) 0.6792(2) 0.0312(10) Uani 1 1 d . . . . .
C14 C 0.7606(2) 0.65848(16) 0.7382(2) 0.0323(10) Uani 1 1 d . . . . .
H14 H 0.736823 0.690943 0.720836 0.039 Uiso 1 1 calc R . . . .
C15 C 0.4921(3) 0.82952(18) 0.8674(2) 0.0372(11) Uani 1 1 d . . . . .
C16 C 0.4208(2) 0.84628(17) 0.6340(2) 0.0314(10) Uani 1 1 d . . . . .
C17 C 0.3269(2) 0.71586(17) 0.6688(2) 0.0334(10) Uani 1 1 d . . . . .
H17 H 0.377748 0.698995 0.669119 0.040 Uiso 1 1 calc R . . . .
C18 C 0.3411(2) 0.77368(17) 0.6633(2) 0.0320(10) Uani 1 1 d . . . . .
C19 C 0.2876(3) 0.80941(18) 0.6839(2) 0.0358(11) Uani 1 1 d . . . . .
H19 H 0.243074 0.796837 0.702478 0.043 Uiso 1 1 calc R . . . .
C20 C 0.6279(3) 0.53398(18) 0.6550(2) 0.0364(11) Uani 1 1 d . . . . .
H20 H 0.598341 0.506925 0.636175 0.044 Uiso 1 1 calc R . . . .
C21 C 0.4361(3) 0.85356(18) 0.4936(2) 0.0394(11) Uani 1 1 d . . . . .
H21 H 0.388209 0.862797 0.509168 0.047 Uiso 1 1 calc R . . . .
C22 C 0.3645(3) 0.87987(18) 0.6537(2) 0.0367(11) Uani 1 1 d . . . . .
H22 H 0.372391 0.916139 0.650252 0.044 Uiso 1 1 calc R . . . .
C23 C 0.4457(2) 0.73997(17) 0.5572(2) 0.0301(9) Uani 1 1 d . . . . .
H23 H 0.395475 0.746990 0.542293 0.036 Uiso 1 1 calc R . . . .
C24 C 0.4989(3) 0.85276(17) 0.5351(2) 0.0364(11) Uani 1 1 d . . . . .
C25 C 0.4934(3) 0.86637(17) 0.6056(2) 0.0365(11) Uani 1 1 d . . . . .
H25 H 0.535510 0.847241 0.628272 0.044 Uiso 1 1 calc R . . . .
C26 C 0.7485(3) 0.56945(17) 0.6848(2) 0.0348(11) Uani 1 1 d . . . . .
H26 H 0.801957 0.566560 0.687203 0.042 Uiso 1 1 calc R . . . .
C27 C 0.2975(3) 0.86227(18) 0.6782(2) 0.0375(11) Uani 1 1 d . . . . .
C28 C 0.5039(3) 0.69396(19) 0.9468(2) 0.0385(11) Uani 1 1 d . . . . .
C29 C 0.4918(2) 0.74674(18) 0.9336(2) 0.0375(11) Uani 1 1 d . . . . .
H29 H 0.474148 0.767564 0.967301 0.045 Uiso 1 1 calc R . . . .
C30 C 0.8418(3) 0.65919(18) 0.7167(2) 0.0376(11) Uani 1 1 d . . . . .
C31 C 0.7105(3) 0.6274(2) 0.5363(2) 0.0451(12) Uani 1 1 d . . . . .
H31A H 0.688800 0.637640 0.576726 0.068 Uiso 1 1 calc GR . . . .
H31B H 0.765017 0.622118 0.542823 0.068 Uiso 1 1 calc GR . . . .
H31C H 0.686873 0.595162 0.521072 0.068 Uiso 1 1 calc GR . . . .
C32 C 0.7545(3) 0.66165(19) 0.8105(2) 0.0386(11) Uani 1 1 d . . . . .
C33 C 0.5052(2) 0.57957(18) 0.6806(2) 0.0375(11) Uani 1 1 d . . . . .
H33 H 0.491467 0.617084 0.677645 0.045 Uiso 1 1 calc R . . . .
C34 C 0.2831(3) 0.69438(18) 0.6103(2) 0.0359(11) Uani 1 1 d . . . . .
C35 C 0.2928(2) 0.70184(19) 0.7326(2) 0.0375(11) Uani 1 1 d . . . . .
C36 C 0.4423(3) 0.8411(2) 0.4300(2) 0.0477(13) Uani 1 1 d . . . . .
H36 H 0.398816 0.842430 0.402140 0.057 Uiso 1 1 calc R . . . .
C37 C 0.6961(3) 0.6704(2) 0.4863(2) 0.0399(11) Uani 1 1 d . . . . .
C38 C 0.7432(3) 0.48037(19) 0.6335(3) 0.0454(13) Uani 1 1 d . . . . .
H38 H 0.704086 0.461778 0.606538 0.054 Uiso 1 1 calc R . . . .
C39 C 0.6110(3) 0.67932(18) 0.4766(2) 0.0373(11) Uani 1 1 d . . . . .
C40 C 0.3341(3) 0.7142(2) 0.7878(2) 0.0462(13) Uani 1 1 d . . . . .
H40 H 0.380383 0.732393 0.784412 0.055 Uiso 1 1 calc R . . . .
C41 C 0.7481(3) 0.7098(2) 0.8391(3) 0.0509(14) Uani 1 1 d . . . . .
H41 H 0.748236 0.740227 0.813688 0.061 Uiso 1 1 calc R . . . .
C42 C 0.8998(3) 0.6348(2) 0.7501(3) 0.0498(13) Uani 1 1 d . . . . .
H42 H 0.890344 0.618641 0.789752 0.060 Uiso 1 1 calc R . . . .
C43 C 0.4661(2) 0.55327(18) 0.6234(2) 0.0379(11) Uani 1 1 d . . . . .
C44 C 0.5091(3) 0.92359(19) 0.6177(2) 0.0430(12) Uani 1 1 d . . . . .
C45 C 0.4742(3) 0.8565(2) 0.9300(2) 0.0493(13) Uani 1 1 d . . . . .
H45A H 0.426770 0.842773 0.945778 0.074 Uiso 1 1 calc GR . . . .
H45B H 0.469170 0.893795 0.922710 0.074 Uiso 1 1 calc GR . . . .
H45C H 0.515175 0.850038 0.961793 0.074 Uiso 1 1 calc GR . . . .
C46 C 0.4970(3) 0.68018(19) 0.4047(2) 0.0386(11) Uani 1 1 d . . . . .
C47 C 0.4775(3) 0.5606(2) 0.7442(2) 0.0425(12) Uani 1 1 d . . . . .
C48 C 0.5646(3) 0.85381(19) 0.8430(2) 0.0469(13) Uani 1 1 d . . . . .
H48A H 0.607087 0.845712 0.872647 0.070 Uiso 1 1 calc GR . . . .
H48B H 0.558444 0.891455 0.840004 0.070 Uiso 1 1 calc GR . . . .
H48C H 0.574697 0.839767 0.800683 0.070 Uiso 1 1 calc GR . . . .
C49 C 0.2188(3) 0.7177(2) 0.5846(3) 0.0527(14) Uani 1 1 d . . . . .
H49 H 0.200327 0.748394 0.603379 0.063 Uiso 1 1 calc R . . . .
C50 C 0.7334(3) 0.6535(2) 0.4247(2) 0.0521(14) Uani 1 1 d . . . . .
H50A H 0.787560 0.648224 0.433415 0.078 Uiso 1 1 calc GR . . . .
H50B H 0.725884 0.680392 0.392118 0.078 Uiso 1 1 calc GR . . . .
H50C H 0.710449 0.621044 0.409348 0.078 Uiso 1 1 calc GR . . . .
C51 C 0.4262(3) 0.84062(19) 0.8192(2) 0.0459(12) Uani 1 1 d . . . . .
H51A H 0.436189 0.823995 0.778365 0.069 Uiso 1 1 calc GR . . . .
H51B H 0.421252 0.878092 0.812954 0.069 Uiso 1 1 calc GR . . . .
H51C H 0.379254 0.826831 0.835766 0.069 Uiso 1 1 calc GR . . . .
C52 C 0.5743(3) 0.67090(18) 0.4179(2) 0.0391(11) Uani 1 1 d . . . . .
H52 H 0.603344 0.657941 0.384275 0.047 Uiso 1 1 calc R . . . .
C53 C 0.7351(3) 0.7209(2) 0.5086(2) 0.0475(13) Uani 1 1 d . . . . .
H53A H 0.715065 0.731700 0.549491 0.071 Uiso 1 1 calc GR . . . .
H53B H 0.725509 0.748013 0.476671 0.071 Uiso 1 1 calc GR . . . .
H53C H 0.789647 0.714993 0.513947 0.071 Uiso 1 1 calc GR . . . .
C54 C 0.7532(3) 0.6179(2) 0.8487(3) 0.0534(14) Uani 1 1 d . . . . .
H54 H 0.756743 0.584603 0.829796 0.064 Uiso 1 1 calc R . . . .
C55 C 0.4778(3) 0.5715(2) 0.5627(3) 0.0479(13) Uani 1 1 d . . . . .
H55 H 0.512164 0.599261 0.557154 0.058 Uiso 1 1 calc R . . . .
C56 C 0.2363(3) 0.90005(19) 0.6979(2) 0.0447(12) Uani 1 1 d . . . . .
H56 H 0.252799 0.935701 0.686009 0.054 Uiso 1 1 calc R . . . .
C57 C 0.4862(3) 0.6709(2) 1.0121(2) 0.0495(13) Uani 1 1 d . . . . .
C58 C 0.4165(3) 0.5122(2) 0.6298(3) 0.0527(14) Uani 1 1 d . . . . .
H58 H 0.407617 0.498668 0.670972 0.063 Uiso 1 1 calc R . . . .
C59 C 0.3092(3) 0.6503(2) 0.5814(3) 0.0488(13) Uani 1 1 d . . . . .
H59 H 0.353514 0.633812 0.598298 0.059 Uiso 1 1 calc R . . . .
C60 C 0.4782(3) 0.9620(2) 0.5782(3) 0.0543(15) Uani 1 1 d . . . . .
H60 H 0.444472 0.952527 0.543872 0.065 Uiso 1 1 calc R . . . .
C61 C 0.4622(3) 0.6689(2) 0.3376(2) 0.0577(13) Uani 1 1 d . U . . .
C62 C 0.4406(3) 0.5501(2) 0.5096(3) 0.0538(14) Uani 1 1 d . . . . .
H62 H 0.448502 0.563723 0.468219 0.065 Uiso 1 1 calc R . . . .
C63 C 0.3922(3) 0.5091(2) 0.5171(3) 0.0578(15) Uani 1 1 d . . . . .
H63 H 0.367549 0.493711 0.480786 0.069 Uiso 1 1 calc R . . . .
C64 C 0.5572(4) 0.9388(2) 0.6674(3) 0.0679(18) Uani 1 1 d . . . . .
H64 H 0.579055 0.913334 0.695137 0.081 Uiso 1 1 calc R . . . .
C65 C 0.3105(3) 0.7013(2) 0.8471(3) 0.0632(16) Uani 1 1 d . . . . .
H65 H 0.339707 0.711094 0.884151 0.076 Uiso 1 1 calc R . . . .
C66 C 0.4178(3) 0.5850(3) 0.7721(3) 0.0680(18) Uani 1 1 d . . . . .
H66 H 0.393842 0.613577 0.751212 0.082 Uiso 1 1 calc R . . . .
C67 C 0.5672(3) 0.8382(2) 0.5110(3) 0.0589(15) Uani 1 1 d . . . . .
H67 H 0.611096 0.837512 0.538501 0.071 Uiso 1 1 calc R . . . .
C68 C 0.5103(4) 0.8268(2) 0.4065(3) 0.0618(16) Uani 1 1 d . . . . .
H68 H 0.514323 0.818418 0.362613 0.074 Uiso 1 1 calc R . . . .
C69 C 0.1809(3) 0.6968(2) 0.5316(3) 0.0630(17) Uani 1 1 d . . . . .
H69 H 0.136646 0.713296 0.514609 0.076 Uiso 1 1 calc R . . . .
C70 C 0.2063(4) 0.6527(2) 0.5033(3) 0.0630(17) Uani 1 1 d . . . . .
H70 H 0.179576 0.638205 0.467473 0.076 Uiso 1 1 calc R . . . .
C71 C 0.5342(4) 0.6988(2) 1.0642(3) 0.0654(17) Uani 1 1 d . . . . .
H71A H 0.587858 0.692200 1.057735 0.098 Uiso 1 1 calc GR . . . .
H71B H 0.520853 0.685863 1.106262 0.098 Uiso 1 1 calc GR . . . .
H71C H 0.524525 0.736142 1.061830 0.098 Uiso 1 1 calc GR . . . .
C72 C 0.9718(3) 0.6333(3) 0.7268(3) 0.0652(17) Uani 1 1 d . . . . .
H72 H 1.011045 0.616215 0.750666 0.078 Uiso 1 1 calc R . . . .
C73 C 0.5106(3) 0.5193(2) 0.7760(3) 0.0586(15) Uani 1 1 d . . . . .
H73 H 0.551882 0.502108 0.757627 0.070 Uiso 1 1 calc R . . . .
C74 C 0.5061(4) 0.6131(2) 1.0163(3) 0.0664(17) Uani 1 1 d . . . . .
H74A H 0.476141 0.593964 0.983914 0.100 Uiso 1 1 calc GR . . . .
H74B H 0.494978 0.600056 1.058839 0.100 Uiso 1 1 calc GR . . . .
H74C H 0.559990 0.608443 1.008866 0.100 Uiso 1 1 calc GR . . . .
C75 C 0.3798(3) 0.4907(2) 0.5767(3) 0.0662(17) Uani 1 1 d . . . . .
H75 H 0.345635 0.462763 0.581820 0.079 Uiso 1 1 calc R . . . .
C76 C 0.5725(3) 0.8247(3) 0.4474(3) 0.0701(18) Uani 1 1 d . . . . .
H76 H 0.619720 0.813910 0.431960 0.084 Uiso 1 1 calc R . . . .
C77 C 0.7414(3) 0.7137(3) 0.9045(3) 0.0713(19) Uani 1 1 d . . . . .
H77 H 0.737399 0.746937 0.923633 0.086 Uiso 1 1 calc R . . . .
C78 C 0.4956(4) 1.0134(2) 0.5880(3) 0.0711(19) Uani 1 1 d . . . . .
H78 H 0.473653 1.039089 0.560634 0.085 Uiso 1 1 calc R . . . .
C79 C 0.8579(3) 0.6826(3) 0.6594(3) 0.0698(19) Uani 1 1 d . . . . .
H79 H 0.818929 0.700309 0.635870 0.084 Uiso 1 1 calc R . . . .
C80 C 0.2449(4) 0.6742(3) 0.8530(3) 0.0741(19) Uani 1 1 d . . . . .
H80 H 0.229295 0.663685 0.893867 0.089 Uiso 1 1 calc R . . . .
C81 C 0.4026(3) 0.6775(3) 1.0243(3) 0.079(2) Uani 1 1 d . . . . .
H81A H 0.389216 0.714261 1.021897 0.118 Uiso 1 1 calc GR . . . .
H81B H 0.392099 0.664145 1.066856 0.118 Uiso 1 1 calc GR . . . .
H81C H 0.372591 0.658190 0.992016 0.118 Uiso 1 1 calc GR . . . .
C82 C 0.2258(3) 0.6762(3) 0.7389(3) 0.0689(18) Uani 1 1 d . . . . .
H82 H 0.195530 0.667788 0.701889 0.083 Uiso 1 1 calc R . . . .
C83 C 0.2714(4) 0.6297(2) 0.5279(3) 0.0652(17) Uani 1 1 d . . . . .
H83 H 0.290581 0.599572 0.508109 0.078 Uiso 1 1 calc R . . . .
C84 C 0.1618(3) 0.8891(3) 0.6619(3) 0.077(2) Uani 1 1 d . . . . .
H84A H 0.169800 0.888837 0.615867 0.116 Uiso 1 1 calc GR . . . .
H84B H 0.125102 0.916046 0.671734 0.116 Uiso 1 1 calc GR . . . .
H84C H 0.142493 0.855265 0.674906 0.116 Uiso 1 1 calc GR . . . .
C85 C 0.8079(4) 0.4914(3) 0.5909(4) 0.083(2) Uani 1 1 d . . . . .
H85A H 0.789611 0.511726 0.553958 0.124 Uiso 1 1 calc GR . . . .
H85B H 0.829243 0.458708 0.576278 0.124 Uiso 1 1 calc GR . . . .
H85C H 0.846918 0.511081 0.614853 0.124 Uiso 1 1 calc GR . . . .
C86 C 0.4852(4) 0.5023(3) 0.8340(3) 0.083(2) Uani 1 1 d . . . . .
H86 H 0.508120 0.473318 0.854872 0.099 Uiso 1 1 calc R . . . .
C87 C 0.7650(4) 0.4444(2) 0.6880(3) 0.076(2) Uani 1 1 d . . . . .
H87A H 0.804962 0.460441 0.714875 0.114 Uiso 1 1 calc GR . . . .
H87B H 0.783238 0.411600 0.670892 0.114 Uiso 1 1 calc GR . . . .
H87C H 0.720777 0.437892 0.713599 0.114 Uiso 1 1 calc GR . . . .
C88 C 0.2015(4) 0.6623(3) 0.7991(3) 0.090(2) Uani 1 1 d . . . . .
H88 H 0.154949 0.644604 0.802924 0.108 Uiso 1 1 calc R . . . .
C89 C 0.9872(3) 0.6562(3) 0.6695(4) 0.078(2) Uani 1 1 d . . . . .
H89 H 1.036588 0.655209 0.653460 0.094 Uiso 1 1 calc R . . . .
C90 C 0.7468(3) 0.6223(3) 0.9148(3) 0.072(2) Uani 1 1 d . . . . .
H90 H 0.746704 0.592186 0.940788 0.087 Uiso 1 1 calc R . . . .
C91 C 0.2260(4) 0.8993(3) 0.7692(3) 0.0684(18) Uani 1 1 d . . . . .
H91A H 0.211782 0.864363 0.782406 0.103 Uiso 1 1 calc GR . . . .
H91B H 0.186064 0.923760 0.779847 0.103 Uiso 1 1 calc GR . . . .
H91C H 0.273372 0.909366 0.791422 0.103 Uiso 1 1 calc GR . . . .
C92 C 0.4259(5) 0.5283(4) 0.8611(4) 0.093(3) Uani 1 1 d . . . . .
H92 H 0.408852 0.517658 0.901547 0.112 Uiso 1 1 calc R . . . .
C93 C 0.5742(5) 0.9906(2) 0.6777(4) 0.096(3) Uani 1 1 d . . . . .
H93 H 0.606451 1.000576 0.712795 0.115 Uiso 1 1 calc R . . . .
C94 C 0.7405(4) 0.6706(4) 0.9419(3) 0.079(2) Uani 1 1 d . . . . .
H94 H 0.735465 0.673814 0.986690 0.095 Uiso 1 1 calc R . . . .
C95 C 0.4771(4) 0.6139(3) 0.3186(3) 0.086(2) Uani 1 1 d . U . . .
H95A H 0.531646 0.608517 0.315594 0.129 Uiso 1 1 calc GR . . . .
H95B H 0.451958 0.606780 0.277052 0.129 Uiso 1 1 calc GR . . . .
H95C H 0.457488 0.590352 0.350726 0.129 Uiso 1 1 calc GR . . . .
C96 C 0.9290(4) 0.6807(3) 0.6360(4) 0.098(3) Uani 1 1 d . . . . .
H96 H 0.938293 0.696433 0.596094 0.118 Uiso 1 1 calc R . . . .
C97 C 0.3925(4) 0.5682(3) 0.8306(4) 0.096(3) Uani 1 1 d . . . . .
H97 H 0.351126 0.585272 0.849085 0.115 Uiso 1 1 calc R . . . .
C98 C 0.5439(5) 1.0275(2) 0.6365(3) 0.091(3) Uani 1 1 d . . . . .
H98 H 0.557006 1.062920 0.642214 0.110 Uiso 1 1 calc R . . . .
C99 C 0.3788(4) 0.6775(4) 0.3349(4) 0.130(3) Uani 1 1 d . U . . .
H99A H 0.355093 0.654528 0.365510 0.195 Uiso 1 1 calc GR . . . .
H99B H 0.358529 0.670059 0.291737 0.195 Uiso 1 1 calc GR . . . .
H99C H 0.368042 0.713639 0.345748 0.195 Uiso 1 1 calc GR . . . .
C100 C 0.5000(6) 0.7031(4) 0.2896(3) 0.121(3) Uani 1 1 d . U . . .
H10A H 0.479322 0.738268 0.291822 0.182 Uiso 1 1 calc GR . . . .
H10B H 0.490718 0.689170 0.246583 0.182 Uiso 1 1 calc GR . . . .
H10C H 0.554537 0.704155 0.299466 0.182 Uiso 1 1 calc GR . . . .
C101 C 0.8264(3) 0.9990(2) 0.5420(4) 0.137(3) Uani 1 1 d . U . . .
H101 H 0.870309 1.015538 0.559627 0.164 Uiso 1 1 calc R U . . .
C102 C 0.8012(4) 1.0101(2) 0.4799(4) 0.151(4) Uani 1 1 d G U . . .
H102 H 0.827985 1.034224 0.455012 0.182 Uiso 1 1 calc R U . . .
C103 C 0.7369(5) 0.9859(3) 0.4541(3) 0.161(4) Uani 1 1 d G U . . .
H103 H 0.719755 0.993515 0.411641 0.193 Uiso 1 1 calc R U . . .
C104 C 0.6978(4) 0.9506(3) 0.4905(4) 0.218(7) Uani 1 1 d G U . . .
H104 H 0.653847 0.934121 0.472886 0.261 Uiso 1 1 calc R U . . .
C105 C 0.7229(4) 0.9395(3) 0.5526(4) 0.179(5) Uani 1 1 d G U . . .
H105 H 0.696169 0.915435 0.577501 0.214 Uiso 1 1 calc R U . . .
C106 C 0.7872(4) 0.9637(3) 0.5784(3) 0.121(3) Uani 1 1 d G U . . .
C107 C 0.0675(6) 0.5067(3) 0.6866(6) 0.129(3) Uani 1 1 d . U . . .
H107 H 0.017856 0.492826 0.687046 0.155 Uiso 1 1 calc R U . . .
C108 C 0.1861(7) 0.5298(4) 0.7398(7) 0.153(4) Uani 1 1 d . U . . .
H108 H 0.217933 0.534161 0.776903 0.184 Uiso 1 1 calc R U . . .
C109 C 0.0962(8) 0.5217(4) 0.6310(6) 0.143(3) Uani 1 1 d . U . . .
C110 C 0.1110(7) 0.5117(4) 0.7445(6) 0.141(3) Uani 1 1 d . U . . .
H110 H 0.090724 0.503205 0.784484 0.169 Uiso 1 1 calc R U . . .
C111 C 0.2105(8) 0.5405(5) 0.6829(7) 0.160(4) Uani 1 1 d . U . . .
H111 H 0.262121 0.549696 0.679677 0.192 Uiso 1 1 calc R U . . .
C112 C 0.1666(8) 0.5391(5) 0.6286(7) 0.169(5) Uani 1 1 d . U . . .
H112 H 0.185884 0.550450 0.589255 0.202 Uiso 1 1 calc R U . . .
C113 C 0.8140(7) 0.9520(5) 0.6403(6) 0.194(6) Uani 1 1 d . U . . .
H11A H 0.850459 0.923564 0.638737 0.291 Uiso 1 1 calc GR U . . .
H11B H 0.771671 0.941746 0.666218 0.291 Uiso 1 1 calc GR U . . .
H11C H 0.838730 0.982639 0.659222 0.291 Uiso 1 1 calc GR U . . .
C114 C 0.0468(9) 0.5215(6) 0.5714(7) 0.238(7) Uani 1 1 d . U . . .
H11D H 0.007328 0.495167 0.575109 0.357 Uiso 1 1 calc GR U . . .
H11E H 0.077376 0.513441 0.534645 0.357 Uiso 1 1 calc GR U . . .
H11F H 0.023417 0.555590 0.565429 0.357 Uiso 1 1 calc GR U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 I1 2.9376(4) . ?
Dy1 O1 2.126(3) . ?
Dy1 O2 2.129(3) . ?
Dy1 N1 2.420(3) . ?
Dy1 N2 2.410(4) . ?
O1 C8 1.323(5) . ?
O2 C10 1.319(5) . ?
N1 C4 1.452(5) . ?
N1 C23 1.300(5) . ?
N2 C6 1.303(5) . ?
N2 C7 1.451(5) . ?
C1 C3 1.403(6) . ?
C1 C6 1.448(6) . ?
C1 C10 1.414(6) . ?
C2 C8 1.418(6) . ?
C2 C11 1.405(6) . ?
C2 C23 1.435(6) . ?
C3 C28 1.380(6) . ?
C4 C16 1.399(6) . ?
C4 C18 1.399(6) . ?
C5 C7 1.397(6) . ?
C5 C14 1.525(6) . ?
C5 C26 1.404(6) . ?
C7 C13 1.397(6) . ?
C8 C39 1.420(6) . ?
C9 C10 1.431(6) . ?
C9 C15 1.531(6) . ?
C9 C29 1.384(6) . ?
C11 C46 1.374(6) . ?
C12 C20 1.384(6) . ?
C12 C26 1.395(6) . ?
C12 C38 1.520(6) . ?
C13 C20 1.390(6) . ?
C13 C33 1.530(6) . ?
C14 C30 1.525(6) . ?
C14 C32 1.526(6) . ?
C15 C45 1.529(6) . ?
C15 C48 1.535(7) . ?
C15 C51 1.541(6) . ?
C16 C22 1.396(6) . ?
C16 C25 1.528(6) . ?
C17 C18 1.519(6) . ?
C17 C34 1.530(6) . ?
C17 C35 1.531(6) . ?
C18 C19 1.403(6) . ?
C19 C27 1.382(6) . ?
C21 C24 1.385(6) . ?
C21 C36 1.380(7) . ?
C22 C27 1.387(7) . ?
C24 C25 1.526(6) . ?
C24 C67 1.380(7) . ?
C25 C44 1.523(6) . ?
C27 C56 1.527(6) . ?
C28 C29 1.405(6) . ?
C28 C57 1.534(6) . ?
C30 C42 1.374(6) . ?
C30 C79 1.384(7) . ?
C31 C37 1.540(7) . ?
C32 C41 1.386(7) . ?
C32 C54 1.384(7) . ?
C33 C43 1.521(6) . ?
C33 C47 1.518(7) . ?
C34 C49 1.380(6) . ?
C34 C59 1.377(7) . ?
C35 C40 1.383(7) . ?
C35 C82 1.370(7) . ?
C36 C68 1.369(8) . ?
C37 C39 1.530(6) . ?
C37 C50 1.535(7) . ?
C37 C53 1.540(7) . ?
C38 C85 1.506(8) . ?
C38 C87 1.511(8) . ?
C39 C52 1.387(6) . ?
C40 C65 1.367(7) . ?
C41 C77 1.384(8) . ?
C42 C72 1.382(7) . ?
C43 C55 1.380(7) . ?
C43 C58 1.387(7) . ?
C44 C60 1.389(7) . ?
C44 C64 1.378(7) . ?
C46 C52 1.407(6) . ?
C46 C61 1.540(6) . ?
C47 C66 1.380(7) . ?
C47 C73 1.376(7) . ?
C49 C69 1.385(7) . ?
C54 C90 1.399(8) . ?
C55 C62 1.387(7) . ?
C56 C84 1.522(7) . ?
C56 C91 1.512(7) . ?
C57 C71 1.537(7) . ?
C57 C74 1.536(7) . ?
C57 C81 1.523(8) . ?
C58 C75 1.383(7) . ?
C59 C83 1.390(7) . ?
C60 C78 1.378(7) . ?
C61 C95 1.503(8) . ?
C61 C99 1.494(9) . ?
C61 C100 1.513(10) . ?
C62 C63 1.375(8) . ?
C63 C75 1.362(8) . ?
C64 C93 1.385(8) . ?
C65 C80 1.367(8) . ?
C66 C97 1.389(10) . ?
C67 C76 1.385(8) . ?
C68 C76 1.371(8) . ?
C69 C70 1.365(8) . ?
C70 C83 1.381(8) . ?
C72 C89 1.375(9) . ?
C73 C86 1.383(8) . ?
C77 C94 1.362(10) . ?
C78 C98 1.353(8) . ?
C79 C96 1.369(9) . ?
C80 C88 1.375(9) . ?
C82 C88 1.395(8) . ?
C86 C92 1.387(10) . ?
C89 C96 1.379(9) . ?
C90 C94 1.376(10) . ?
C92 C97 1.341(11) . ?
C93 C98 1.382(9) . ?
C101 C102 1.3900 . ?
C101 C106 1.3900 . ?
C102 C103 1.3900 . ?
C103 C104 1.3900 . ?
C104 C105 1.3900 . ?
C105 C106 1.3900 . ?
C106 C113 1.396(12) . ?
C107 C109 1.345(14) . ?
C107 C110 1.417(14) . ?
C108 C110 1.418(14) . ?
C108 C111 1.312(15) . ?
C109 C112 1.328(15) . ?
C109 C114 1.498(15) . ?
C111 C112 1.355(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
O1 Dy1 I1 100.03(8) . . ?
O1 Dy1 O2 160.45(11) . . ?
O1 Dy1 N1 75.56(11) . . ?
O1 Dy1 N2 93.31(11) . . ?
O2 Dy1 I1 99.39(8) . . ?
O2 Dy1 N1 95.57(11) . . ?
O2 Dy1 N2 76.47(11) . . ?
N1 Dy1 I1 123.06(8) . . ?
N2 Dy1 I1 114.81(8) . . ?
N2 Dy1 N1 122.09(11) . . ?
C8 O1 Dy1 144.7(3) . . ?
C10 O2 Dy1 144.2(3) . . ?
C4 N1 Dy1 120.2(2) . . ?
C23 N1 Dy1 126.5(3) . . ?
C23 N1 C4 113.3(3) . . ?
C6 N2 Dy1 125.8(3) . . ?
C6 N2 C7 112.2(4) . . ?
C7 N2 Dy1 122.0(3) . . ?
C3 C1 C6 115.4(4) . . ?
C3 C1 C10 120.8(4) . . ?
C10 C1 C6 123.8(4) . . ?
C8 C2 C23 123.3(4) . . ?
C11 C2 C8 120.1(4) . . ?
C11 C2 C23 116.1(4) . . ?
C28 C3 C1 122.0(4) . . ?
C16 C4 N1 118.2(4) . . ?
C16 C4 C18 121.2(4) . . ?
C18 C4 N1 120.6(4) . . ?
C7 C5 C14 120.0(4) . . ?
C7 C5 C26 118.1(4) . . ?
C26 C5 C14 122.0(4) . . ?
N2 C6 C1 130.0(4) . . ?
C5 C7 N2 119.1(4) . . ?
C13 C7 N2 119.4(4) . . ?
C13 C7 C5 121.5(4) . . ?
O1 C8 C2 118.7(4) . . ?
O1 C8 C39 122.5(4) . . ?
C2 C8 C39 118.8(4) . . ?
C10 C9 C15 121.2(4) . . ?
C29 C9 C10 116.9(4) . . ?
C29 C9 C15 121.8(4) . . ?
O2 C10 C1 118.8(4) . . ?
O2 C10 C9 122.8(4) . . ?
C1 C10 C9 118.4(4) . . ?
C46 C11 C2 122.2(4) . . ?
C20 C12 C26 118.3(4) . . ?
C20 C12 C38 120.6(4) . . ?
C26 C12 C38 121.1(4) . . ?
C7 C13 C33 120.2(4) . . ?
C20 C13 C7 118.3(4) . . ?
C20 C13 C33 121.4(4) . . ?
C5 C14 C32 112.6(4) . . ?
C30 C14 C5 112.9(4) . . ?
C30 C14 C32 113.2(4) . . ?
C9 C15 C48 109.6(4) . . ?
C9 C15 C51 110.6(4) . . ?
C45 C15 C9 112.2(4) . . ?
C45 C15 C48 107.7(4) . . ?
C45 C15 C51 107.5(4) . . ?
C48 C15 C51 109.2(4) . . ?
C4 C16 C25 120.2(4) . . ?
C22 C16 C4 118.0(4) . . ?
C22 C16 C25 121.7(4) . . ?
C18 C17 C34 112.1(4) . . ?
C18 C17 C35 111.8(4) . . ?
C34 C17 C35 114.1(4) . . ?
C4 C18 C17 121.5(4) . . ?
C4 C18 C19 118.0(4) . . ?
C19 C18 C17 120.5(4) . . ?
C27 C19 C18 122.2(4) . . ?
C12 C20 C13 122.3(4) . . ?
C36 C21 C24 120.7(5) . . ?
C27 C22 C16 122.4(4) . . ?
N1 C23 C2 129.6(4) . . ?
C21 C24 C25 121.6(4) . . ?
C67 C24 C21 118.0(5) . . ?
C67 C24 C25 120.3(4) . . ?
C24 C25 C16 112.6(4) . . ?
C44 C25 C16 114.6(4) . . ?
C44 C25 C24 111.5(4) . . ?
C12 C26 C5 121.5(4) . . ?
C19 C27 C22 118.0(4) . . ?
C19 C27 C56 120.9(4) . . ?
C22 C27 C56 121.1(4) . . ?
C3 C28 C29 115.6(4) . . ?
C3 C28 C57 123.3(4) . . ?
C29 C28 C57 121.1(4) . . ?
C9 C29 C28 125.9(4) . . ?
C42 C30 C14 122.8(4) . . ?
C42 C30 C79 117.9(5) . . ?
C79 C30 C14 119.2(4) . . ?
C41 C32 C14 119.2(4) . . ?
C54 C32 C14 122.2(5) . . ?
C54 C32 C41 118.6(5) . . ?
C43 C33 C13 113.0(4) . . ?
C47 C33 C13 111.0(4) . . ?
C47 C33 C43 113.2(4) . . ?
C49 C34 C17 122.8(4) . . ?
C59 C34 C17 118.9(4) . . ?
C59 C34 C49 118.3(5) . . ?
C40 C35 C17 117.5(4) . . ?
C82 C35 C17 124.8(5) . . ?
C82 C35 C40 117.7(5) . . ?
C68 C36 C21 121.0(5) . . ?
C39 C37 C31 109.6(4) . . ?
C39 C37 C50 112.6(4) . . ?
C39 C37 C53 110.0(4) . . ?
C50 C37 C31 107.5(4) . . ?
C50 C37 C53 107.0(4) . . ?
C53 C37 C31 110.0(4) . . ?
C85 C38 C12 113.0(5) . . ?
C85 C38 C87 112.7(5) . . ?
C87 C38 C12 111.2(4) . . ?
C8 C39 C37 120.9(4) . . ?
C52 C39 C8 117.7(4) . . ?
C52 C39 C37 121.4(4) . . ?
C65 C40 C35 122.3(5) . . ?
C77 C41 C32 120.4(6) . . ?
C30 C42 C72 121.0(5) . . ?
C55 C43 C33 119.6(4) . . ?
C55 C43 C58 117.9(5) . . ?
C58 C43 C33 122.5(5) . . ?
C60 C44 C25 121.9(4) . . ?
C64 C44 C25 120.4(5) . . ?
C64 C44 C60 117.7(5) . . ?
C11 C46 C52 116.3(4) . . ?
C11 C46 C61 123.6(4) . . ?
C52 C46 C61 120.0(4) . . ?
C66 C47 C33 120.2(5) . . ?
C73 C47 C33 121.9(5) . . ?
C73 C47 C66 117.9(6) . . ?
C34 C49 C69 120.8(5) . . ?
C39 C52 C46 124.7(4) . . ?
C32 C54 C90 120.6(6) . . ?
C43 C55 C62 121.4(5) . . ?
C84 C56 C27 111.0(4) . . ?
C91 C56 C27 111.9(4) . . ?
C91 C56 C84 110.6(5) . . ?
C28 C57 C71 109.0(4) . . ?
C28 C57 C74 112.0(4) . . ?
C74 C57 C71 107.1(5) . . ?
C81 C57 C28 109.9(4) . . ?
C81 C57 C71 110.1(5) . . ?
C81 C57 C74 108.7(5) . . ?
C75 C58 C43 120.7(5) . . ?
C34 C59 C83 120.8(5) . . ?
C78 C60 C44 121.2(5) . . ?
C95 C61 C46 110.6(4) . . ?
C95 C61 C100 106.8(6) . . ?
C99 C61 C46 111.6(5) . . ?
C99 C61 C95 108.3(6) . . ?
C99 C61 C100 110.5(7) . . ?
C100 C61 C46 108.9(5) . . ?
C63 C62 C55 119.6(5) . . ?
C75 C63 C62 119.8(5) . . ?
C44 C64 C93 121.1(6) . . ?
C80 C65 C40 119.7(6) . . ?
C47 C66 C97 120.6(7) . . ?
C24 C67 C76 120.8(5) . . ?
C36 C68 C76 118.9(5) . . ?
C70 C69 C49 120.9(5) . . ?
C69 C70 C83 118.8(5) . . ?
C89 C72 C42 120.8(6) . . ?
C47 C73 C86 121.7(6) . . ?
C63 C75 C58 120.6(5) . . ?
C68 C76 C67 120.6(6) . . ?
C94 C77 C41 120.8(6) . . ?
C98 C78 C60 120.2(6) . . ?
C96 C79 C30 121.1(6) . . ?
C65 C80 C88 119.4(6) . . ?
C35 C82 C88 120.5(6) . . ?
C70 C83 C59 120.4(5) . . ?
C73 C86 C92 118.9(7) . . ?
C80 C88 C82 120.3(6) . . ?
C72 C89 C96 118.2(6) . . ?
C94 C90 C54 119.6(6) . . ?
C97 C92 C86 120.3(7) . . ?
C98 C93 C64 119.5(6) . . ?
C77 C94 C90 120.1(6) . . ?
C79 C96 C89 121.0(6) . . ?
C92 C97 C66 120.6(7) . . ?
C78 C98 C93 120.2(6) . . ?
C102 C101 C106 120.0 . . ?
C103 C102 C101 120.0 . . ?
C102 C103 C104 120.0 . . ?
C105 C104 C103 120.0 . . ?
C104 C105 C106 120.0 . . ?
C101 C106 C113 119.4(7) . . ?
C105 C106 C101 120.0 . . ?
C105 C106 C113 120.6(7) . . ?
C109 C107 C110 120.2(13) . . ?
C111 C108 C110 118.3(14) . . ?
C107 C109 C114 119.5(13) . . ?
C112 C109 C107 121.2(14) . . ?
C112 C109 C114 119.3(14) . . ?
C107 C110 C108 116.9(12) . . ?
C108 C111 C112 124.0(15) . . ?
C109 C112 C111 119.1(15) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
