# Electronic Supplementary Material (ESI) for ChemComm.
# 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. 
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data_2
_database_code_depnum_ccdc_archive 'CCDC 1901845'
loop_
_audit_author_name
_audit_author_address
'Haipeng Wu'
;Northwest University, Xian, China
China
;
_audit_update_record             
;
2020-05-17 deposited with the CCDC.	2020-11-26 downloaded from the CCDC.
;
_audit_creation_date             2019-12-07
_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         'C72 H132 Dy2 I6 O4 P4, 3(C7 H8)'
_chemical_formula_sum            'C100 H164 Dy2 I6 O4 P4'
_chemical_formula_weight         2640.58
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.3257 6.8362 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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                   15.6886(10)
_cell_length_b                   28.4973(18)
_cell_length_c                   23.6204(14)
_cell_angle_alpha                90
_cell_angle_beta                 93.442(2)
_cell_angle_gamma                90
_cell_volume                     10541.2(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9485
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      68.288
_cell_measurement_theta_min      3.624
_shelx_estimated_absorpt_T_max   0.176
_shelx_estimated_absorpt_T_min   0.125
_exptl_absorpt_coefficient_mu    22.215
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.2519
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1318 before and 0.0761 after correction. The Ratio of minimum to maximum transmission is 0.3345. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.664
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5224
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0600
_diffrn_reflns_av_unetI/netI     0.0233
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            225120
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.310
_diffrn_reflns_theta_min         3.101
_diffrn_ambient_temperature      152.98
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                18271
_reflns_number_total             19267
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.626
_refine_diff_density_min         -1.353
_refine_diff_density_rms         0.113
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     985
_refine_ls_number_reflns         19267
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0286
_refine_ls_R_factor_gt           0.0269
_refine_ls_restrained_S_all      1.048
_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)+(0.0462P)²+13.7872P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0751
_refine_ls_wR_factor_ref         0.0763
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C25(H25), C37(H37), C67(H67), C43(H43), C13(H13), C55(H55), C61(H61),
 C49(H49), C31(H31), C19(H19), C7(H7), C1(H1)
2.b Secondary CH2 refined with riding coordinates:
 C62(H62A,H62B), C72(H72A,H72B), C56(H56A,H56B), C60(H60A,H60B), C68(H68A,
 H68B), C50(H50A,H50B), C41(H41A,H41B), C24(H24A,H24B), C36(H36A,H36B),
 C42(H42A,H42B), C30(H30A,H30B), C48(H48A,H48B), C66(H66A,H66B), C71(H71A,H71B),
  C54(H54A,H54B), C70(H70A,H70B), C3(H3A,H3B), C47(H47A,H47B), C40(H40A,H40B),
 C2(H2A,H2B), C69(H69A,H69B), C18(H18A,H18B), C38(H38A,H38B), C14(H14A,H14B),
 C51(H51A,H51B), C65(H65A,H65B), C6(H6A,H6B), C26(H26A,H26B), C11(H11A,H11B),
 C12(H12A,H12B), C15(H15A,H15B), C59(H59A,H59B), C4(H4A,H4B), C57(H57A,H57B),
 C63(H63A,H63B), C20(H20A,H20B), C44(H44A,H44B), C32(H32A,H32B), C45(H45A,H45B),
  C17(H17A,H17B), C8(H8A,H8B), C5(H5A,H5B), C10(H10A,H10B), C29(H29A,H29B),
 C9(H9A,H9B), C39(H39A,H39B), C58(H58A,H58B), C46(H46A,H46B), C33(H33A,H33B),
 C64(H64A,H64B), C16(H16A,H16B), C23(H23A,H23B), C53(H53A,H53B), C28(H28A,H28B),
  C35(H35A,H35B), C52(H52A,H52B), C27(H27A,H27B), C21(H21A,H21B), C34(H34A,
 H34B), C22(H22A,H22B)
2.c Aromatic/amide H refined with riding coordinates:
 C86(H86), C82(H82), C83(H83), C84(H84), C85(H85), C89(H89), C93(H93),
 C75(H75), C90(H90), C92(H92), C91(H91), C79(H79), C76(H76), C78(H78), C77(H77)
2.d Idealised Me refined as rotating group:
 C80(H80A,H80B,H80C), C87(H87A,H87B,H87C), C73(H73A,H73B,H73C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.34977(2) 0.33857(2) 0.65469(2) 0.01851(5) Uani 1 1 d . . . . .
Dy2 Dy 0.52496(2) 0.27266(2) 0.51500(2) 0.01800(5) Uani 1 1 d . . . . .
I4 I 0.43201(2) 0.24078(2) 0.62097(2) 0.02381(5) Uani 1 1 d . . . . .
I3 I 0.43562(2) 0.36667(2) 0.54396(2) 0.02534(5) Uani 1 1 d . . . . .
I5 I 0.68505(2) 0.29632(2) 0.58687(2) 0.02810(6) Uani 1 1 d . . . . .
I1 I 0.28753(2) 0.28569(2) 0.75318(2) 0.03016(6) Uani 1 1 d . . . . .
I2 I 0.27289(2) 0.43378(2) 0.67466(2) 0.03065(6) Uani 1 1 d . . . . .
I6 I 0.38654(2) 0.24321(2) 0.42709(2) 0.03183(6) Uani 1 1 d . . . . .
P3 P 0.59946(5) 0.15009(3) 0.50663(3) 0.01866(15) Uani 1 1 d . . . . .
P4 P 0.62632(5) 0.34505(3) 0.40887(3) 0.01902(15) Uani 1 1 d . . . . .
P2 P 0.15312(5) 0.32039(3) 0.56403(3) 0.02127(16) Uani 1 1 d . . . . .
P1 P 0.53812(5) 0.36474(3) 0.74926(3) 0.02192(16) Uani 1 1 d . . . . .
O1 O 0.46712(14) 0.35985(8) 0.70321(9) 0.0242(5) Uani 1 1 d . . . . .
O2 O 0.23209(14) 0.32347(8) 0.60384(9) 0.0237(5) Uani 1 1 d . . . . .
O3 O 0.57429(14) 0.20131(7) 0.51064(9) 0.0221(5) Uani 1 1 d . . . . .
O4 O 0.58380(14) 0.31013(8) 0.44740(9) 0.0220(5) Uani 1 1 d . . . . .
C25 C 0.0636(2) 0.35012(12) 0.59457(15) 0.0271(7) Uani 1 1 d . . . . .
H25 H 0.071818 0.384388 0.587545 0.033 Uiso 1 1 calc R . . . .
C37 C 0.6071(2) 0.40407(11) 0.43415(13) 0.0220(6) Uani 1 1 d . . . . .
H37 H 0.546830 0.403874 0.445657 0.026 Uiso 1 1 calc R . . . .
C67 C 0.5936(2) 0.13180(11) 0.43265(13) 0.0222(6) Uani 1 1 d . . . . .
H67 H 0.532665 0.122900 0.423342 0.027 Uiso 1 1 calc R . . . .
C43 C 0.7400(2) 0.33339(12) 0.41212(14) 0.0232(7) Uani 1 1 d . . . . .
H43 H 0.762589 0.345374 0.449869 0.028 Uiso 1 1 calc R . . . .
C62 C 0.7701(2) 0.17523(13) 0.51274(15) 0.0288(7) Uani 1 1 d . . . . .
H62A H 0.774218 0.166749 0.472345 0.035 Uiso 1 1 calc R . . . .
H62B H 0.748969 0.207902 0.514362 0.035 Uiso 1 1 calc R . . . .
C13 C 0.6070(2) 0.31366(13) 0.74724(15) 0.0272(7) Uani 1 1 d . . . . .
H13 H 0.613620 0.307340 0.706088 0.033 Uiso 1 1 calc R . . . .
C72 C 0.6470(2) 0.08827(12) 0.41971(14) 0.0266(7) Uani 1 1 d . . . . .
H72A H 0.708504 0.095709 0.425680 0.032 Uiso 1 1 calc R . . . .
H72B H 0.633571 0.062446 0.445764 0.032 Uiso 1 1 calc R . . . .
C55 C 0.5262(2) 0.11484(11) 0.54527(13) 0.0226(7) Uani 1 1 d . . . . .
H55 H 0.527911 0.127529 0.584793 0.027 Uiso 1 1 calc R . . . .
C61 C 0.7061(2) 0.14217(12) 0.53970(14) 0.0247(7) Uani 1 1 d . . . . .
H61 H 0.724314 0.109023 0.533519 0.030 Uiso 1 1 calc R . . . .
C49 C 0.5770(2) 0.34046(12) 0.33771(14) 0.0243(7) Uani 1 1 d . . . . .
H49 H 0.604351 0.363986 0.313159 0.029 Uiso 1 1 calc R . . . .
C56 C 0.5502(2) 0.06227(12) 0.55019(15) 0.0271(7) Uani 1 1 d . . . . .
H56A H 0.547253 0.047927 0.511943 0.032 Uiso 1 1 calc R . . . .
H56B H 0.609511 0.059198 0.566521 0.032 Uiso 1 1 calc R . . . .
C31 C 0.1769(2) 0.34757(13) 0.49697(14) 0.0283(7) Uani 1 1 d . . . . .
H31 H 0.233784 0.334877 0.487491 0.034 Uiso 1 1 calc R . . . .
C60 C 0.4333(2) 0.11970(12) 0.52097(15) 0.0268(7) Uani 1 1 d . . . . .
H60A H 0.417450 0.153304 0.518727 0.032 Uiso 1 1 calc R . . . .
H60B H 0.427988 0.106477 0.482164 0.032 Uiso 1 1 calc R . . . .
C68 C 0.6134(2) 0.17194(12) 0.39181(14) 0.0281(7) Uani 1 1 d . . . . .
H68A H 0.578886 0.199900 0.400263 0.034 Uiso 1 1 calc R . . . .
H68B H 0.674469 0.180549 0.396898 0.034 Uiso 1 1 calc R . . . .
C50 C 0.4811(2) 0.35255(14) 0.33906(15) 0.0308(8) Uani 1 1 d . . . . .
H50A H 0.454538 0.332002 0.366848 0.037 Uiso 1 1 calc R . . . .
H50B H 0.474882 0.385448 0.351641 0.037 Uiso 1 1 calc R . . . .
C41 C 0.5772(3) 0.48933(13) 0.41793(17) 0.0353(8) Uani 1 1 d . . . . .
H41A H 0.579460 0.515649 0.390710 0.042 Uiso 1 1 calc R . . . .
H41B H 0.516827 0.484533 0.426564 0.042 Uiso 1 1 calc R . . . .
C19 C 0.1284(2) 0.25890(12) 0.55051(16) 0.0283(7) Uani 1 1 d . . . . .
H19 H 0.076777 0.257129 0.523661 0.034 Uiso 1 1 calc R . . . .
C24 C 0.1096(3) 0.23245(13) 0.60476(17) 0.0355(8) Uani 1 1 d . . . . .
H24A H 0.157130 0.237318 0.633625 0.043 Uiso 1 1 calc R . . . .
H24B H 0.056896 0.245187 0.620013 0.043 Uiso 1 1 calc R . . . .
C7 C 0.6042(2) 0.41579(12) 0.73679(14) 0.0262(7) Uani 1 1 d . . . . .
H7 H 0.651679 0.415943 0.766997 0.031 Uiso 1 1 calc R . . . .
C36 C 0.1886(3) 0.40098(13) 0.50238(16) 0.0368(9) Uani 1 1 d . . . . .
H36A H 0.133211 0.415894 0.509300 0.044 Uiso 1 1 calc R . . . .
H36B H 0.229163 0.408172 0.534963 0.044 Uiso 1 1 calc R . . . .
C42 C 0.6115(2) 0.44471(12) 0.39123(15) 0.0295(7) Uani 1 1 d . . . . .
H42A H 0.671275 0.449624 0.381357 0.035 Uiso 1 1 calc R . . . .
H42B H 0.576812 0.436996 0.356060 0.035 Uiso 1 1 calc R . . . .
C30 C -0.0232(2) 0.33734(15) 0.56580(17) 0.0360(9) Uani 1 1 d . . . . .
H30A H -0.022417 0.343465 0.524573 0.043 Uiso 1 1 calc R . . . .
H30B H -0.034075 0.303450 0.571104 0.043 Uiso 1 1 calc R . . . .
C48 C 0.7617(2) 0.28083(13) 0.41175(16) 0.0300(8) Uani 1 1 d . . . . .
H48A H 0.732229 0.264724 0.442167 0.036 Uiso 1 1 calc R . . . .
H48B H 0.741268 0.266939 0.374984 0.036 Uiso 1 1 calc R . . . .
C66 C 0.7054(2) 0.15108(14) 0.60435(15) 0.0314(8) Uani 1 1 d . . . . .
H66A H 0.680592 0.182414 0.610978 0.038 Uiso 1 1 calc R . . . .
H66B H 0.668675 0.127352 0.621483 0.038 Uiso 1 1 calc R . . . .
C71 C 0.6272(3) 0.07291(13) 0.35844(15) 0.0324(8) Uani 1 1 d . . . . .
H71A H 0.567090 0.062282 0.353939 0.039 Uiso 1 1 calc R . . . .
H71B H 0.664155 0.045983 0.349878 0.039 Uiso 1 1 calc R . . . .
C54 C 0.5894(3) 0.29172(14) 0.31260(16) 0.0362(9) Uani 1 1 d . . . . .
H54A H 0.569402 0.267713 0.339035 0.043 Uiso 1 1 calc R . . . .
H54B H 0.650998 0.286328 0.308144 0.043 Uiso 1 1 calc R . . . .
C70 C 0.6411(2) 0.11229(13) 0.31620(14) 0.0315(8) Uani 1 1 d . . . . .
H70A H 0.702836 0.119610 0.316355 0.038 Uiso 1 1 calc R . . . .
H70B H 0.622086 0.101700 0.277577 0.038 Uiso 1 1 calc R . . . .
C3 C 0.3711(2) 0.39770(15) 0.87373(16) 0.0350(8) Uani 1 1 d . . . . .
H3A H 0.322989 0.420170 0.873560 0.042 Uiso 1 1 calc R . . . .
H3B H 0.347823 0.365756 0.878559 0.042 Uiso 1 1 calc R . . . .
C1 C 0.4902(2) 0.36791(13) 0.81775(14) 0.0269(7) Uani 1 1 d . . . . .
H1 H 0.467901 0.335725 0.824940 0.032 Uiso 1 1 calc R . . . .
C47 C 0.8585(3) 0.27349(15) 0.42096(19) 0.0404(9) Uani 1 1 d . . . . .
H47A H 0.877755 0.284189 0.459505 0.048 Uiso 1 1 calc R . . . .
H47B H 0.871739 0.239636 0.418083 0.048 Uiso 1 1 calc R . . . .
C40 C 0.6297(3) 0.50155(13) 0.47217(16) 0.0359(9) Uani 1 1 d . . . . .
H40A H 0.605126 0.529696 0.489585 0.043 Uiso 1 1 calc R . . . .
H40B H 0.688832 0.509161 0.462872 0.043 Uiso 1 1 calc R . . . .
C2 C 0.4128(2) 0.40051(14) 0.81737(15) 0.0302(8) Uani 1 1 d . . . . .
H2A H 0.431041 0.433181 0.810555 0.036 Uiso 1 1 calc R . . . .
H2B H 0.371019 0.391382 0.786252 0.036 Uiso 1 1 calc R . . . .
C69 C 0.5925(2) 0.15619(13) 0.33064(14) 0.0296(8) Uani 1 1 d . . . . .
H69A H 0.530433 0.150066 0.325106 0.036 Uiso 1 1 calc R . . . .
H69B H 0.606953 0.181742 0.304489 0.036 Uiso 1 1 calc R . . . .
C18 C 0.5644(2) 0.26941(13) 0.77016(17) 0.0337(8) Uani 1 1 d . . . . .
H18A H 0.559698 0.272357 0.811617 0.040 Uiso 1 1 calc R . . . .
H18B H 0.506210 0.265948 0.752082 0.040 Uiso 1 1 calc R . . . .
C38 C 0.6617(2) 0.41545(12) 0.48860(14) 0.0281(7) Uani 1 1 d . . . . .
H38A H 0.657232 0.389565 0.516218 0.034 Uiso 1 1 calc R . . . .
H38B H 0.722383 0.418461 0.479745 0.034 Uiso 1 1 calc R . . . .
C14 C 0.6984(2) 0.31910(15) 0.77384(17) 0.0354(9) Uani 1 1 d . . . . .
H14A H 0.725426 0.347105 0.757776 0.043 Uiso 1 1 calc R . . . .
H14B H 0.696508 0.323708 0.815287 0.043 Uiso 1 1 calc R . . . .
C51 C 0.4345(3) 0.34629(16) 0.28075(18) 0.0430(10) Uani 1 1 d . . . . .
H51A H 0.372831 0.352585 0.283604 0.052 Uiso 1 1 calc R . . . .
H51B H 0.456855 0.369147 0.253789 0.052 Uiso 1 1 calc R . . . .
C65 C 0.7954(3) 0.14865(16) 0.63320(17) 0.0413(10) Uani 1 1 d . . . . .
H65A H 0.792797 0.156496 0.673891 0.050 Uiso 1 1 calc R . . . .
H65B H 0.817522 0.116241 0.630505 0.050 Uiso 1 1 calc R . . . .
C6 C 0.5549(2) 0.37859(15) 0.86782(15) 0.0364(9) Uani 1 1 d . . . . .
H6A H 0.601998 0.355464 0.868494 0.044 Uiso 1 1 calc R . . . .
H6B H 0.579479 0.410241 0.863133 0.044 Uiso 1 1 calc R . . . .
C26 C 0.0629(2) 0.34432(15) 0.65933(16) 0.0355(9) Uani 1 1 d . . . . .
H26A H 0.055728 0.310753 0.668726 0.043 Uiso 1 1 calc R . . . .
H26B H 0.118149 0.355039 0.677296 0.043 Uiso 1 1 calc R . . . .
C11 C 0.7060(3) 0.45213(15) 0.67138(18) 0.0393(9) Uani 1 1 d . . . . .
H11A H 0.752920 0.451125 0.701293 0.047 Uiso 1 1 calc R . . . .
H11B H 0.731338 0.448934 0.634190 0.047 Uiso 1 1 calc R . . . .
C12 C 0.6451(2) 0.41145(14) 0.67962(15) 0.0326(8) Uani 1 1 d . . . . .
H12A H 0.676744 0.381441 0.678281 0.039 Uiso 1 1 calc R . . . .
H12B H 0.599944 0.411315 0.648509 0.039 Uiso 1 1 calc R . . . .
C15 C 0.7515(3) 0.27548(16) 0.7621(2) 0.0455(10) Uani 1 1 d . . . . .
H15A H 0.758362 0.272867 0.720866 0.055 Uiso 1 1 calc R . . . .
H15B H 0.808952 0.278717 0.781403 0.055 Uiso 1 1 calc R . . . .
C59 C 0.3732(2) 0.09383(13) 0.55873(16) 0.0304(8) Uani 1 1 d . . . . .
H59A H 0.313929 0.096407 0.542123 0.037 Uiso 1 1 calc R . . . .
H59B H 0.375474 0.108742 0.596648 0.037 Uiso 1 1 calc R . . . .
C4 C 0.4340(3) 0.40873(15) 0.92302(16) 0.0387(9) Uani 1 1 d . . . . .
H4A H 0.453523 0.441639 0.920065 0.046 Uiso 1 1 calc R . . . .
H4B H 0.405426 0.405391 0.959031 0.046 Uiso 1 1 calc R . . . .
C57 C 0.4899(3) 0.03644(13) 0.58757(18) 0.0360(8) Uani 1 1 d . . . . .
H57A H 0.496570 0.048967 0.626680 0.043 Uiso 1 1 calc R . . . .
H57B H 0.504946 0.002702 0.588877 0.043 Uiso 1 1 calc R . . . .
C63 C 0.8589(2) 0.17231(16) 0.54325(17) 0.0385(9) Uani 1 1 d . . . . .
H63A H 0.882812 0.140580 0.537852 0.046 Uiso 1 1 calc R . . . .
H63B H 0.897200 0.195283 0.526233 0.046 Uiso 1 1 calc R . . . .
C20 C 0.2039(2) 0.23690(14) 0.52172(18) 0.0354(8) Uani 1 1 d . . . . .
H20A H 0.210289 0.252527 0.484784 0.043 Uiso 1 1 calc R . . . .
H20B H 0.256974 0.242285 0.545651 0.043 Uiso 1 1 calc R . . . .
C44 C 0.7888(2) 0.36044(16) 0.36773(17) 0.0361(9) Uani 1 1 d . . . . .
H44A H 0.769888 0.349595 0.329182 0.043 Uiso 1 1 calc R . . . .
H44B H 0.776039 0.394363 0.370321 0.043 Uiso 1 1 calc R . . . .
C32 C 0.1155(3) 0.33599(15) 0.44600(15) 0.0374(9) Uani 1 1 d . . . . .
H32A H 0.109618 0.301526 0.442207 0.045 Uiso 1 1 calc R . . . .
H32B H 0.058491 0.349272 0.452023 0.045 Uiso 1 1 calc R . . . .
C45 C 0.8851(2) 0.35256(16) 0.37776(19) 0.0418(10) Uani 1 1 d . . . . .
H45A H 0.915392 0.368781 0.347834 0.050 Uiso 1 1 calc R . . . .
H45B H 0.904819 0.366173 0.414810 0.050 Uiso 1 1 calc R . . . .
C17 C 0.6179(3) 0.22631(15) 0.7574(2) 0.0439(10) Uani 1 1 d . . . . .
H17A H 0.618713 0.222113 0.715846 0.053 Uiso 1 1 calc R . . . .
H17B H 0.591540 0.198042 0.773358 0.053 Uiso 1 1 calc R . . . .
C8 C 0.5572(3) 0.46308(14) 0.74041(18) 0.0365(8) Uani 1 1 d . . . . .
H8A H 0.508263 0.463749 0.711946 0.044 Uiso 1 1 calc R . . . .
H8B H 0.534661 0.466446 0.778461 0.044 Uiso 1 1 calc R . . . .
C81 C 0.3998(3) 0.54394(15) 0.8372(2) 0.0465(10) Uani 1 1 d . . . . .
C5 C 0.5103(3) 0.37628(16) 0.92361(16) 0.0413(10) Uani 1 1 d . . . . .
H5A H 0.491335 0.343685 0.930082 0.050 Uiso 1 1 calc R . . . .
H5B H 0.551329 0.385069 0.955310 0.050 Uiso 1 1 calc R . . . .
C10 C 0.6600(3) 0.49902(16) 0.6739(2) 0.0476(10) Uani 1 1 d . . . . .
H10A H 0.701369 0.524870 0.670040 0.057 Uiso 1 1 calc R . . . .
H10B H 0.616309 0.501229 0.641934 0.057 Uiso 1 1 calc R . . . .
C29 C -0.0950(3) 0.36571(18) 0.5903(2) 0.0480(11) Uani 1 1 d . . . . .
H29A H -0.087304 0.399368 0.581515 0.058 Uiso 1 1 calc R . . . .
H29B H -0.150523 0.355531 0.572249 0.058 Uiso 1 1 calc R . . . .
C9 C 0.6173(3) 0.50405(16) 0.7297(2) 0.0483(11) Uani 1 1 d . . . . .
H9A H 0.584492 0.533735 0.729310 0.058 Uiso 1 1 calc R . . . .
H9B H 0.661822 0.505802 0.761157 0.058 Uiso 1 1 calc R . . . .
C39 C 0.6315(3) 0.46124(13) 0.51450(16) 0.0352(8) Uani 1 1 d . . . . .
H39A H 0.573464 0.456653 0.527905 0.042 Uiso 1 1 calc R . . . .
H39B H 0.670044 0.469436 0.547736 0.042 Uiso 1 1 calc R . . . .
C58 C 0.3973(2) 0.04204(13) 0.56504(18) 0.0348(8) Uani 1 1 d . . . . .
H58A H 0.359197 0.026712 0.591402 0.042 Uiso 1 1 calc R . . . .
H58B H 0.389121 0.026314 0.527736 0.042 Uiso 1 1 calc R . . . .
C46 C 0.9064(2) 0.30057(16) 0.37715(19) 0.0429(10) Uani 1 1 d . . . . .
H46A H 0.968615 0.296411 0.385155 0.051 Uiso 1 1 calc R . . . .
H46B H 0.891349 0.287658 0.338942 0.051 Uiso 1 1 calc R . . . .
C33 C 0.1492(3) 0.35633(18) 0.39183(17) 0.0497(12) Uani 1 1 d . . . . .
H33A H 0.203772 0.340850 0.384159 0.060 Uiso 1 1 calc R . . . .
H33B H 0.107799 0.349701 0.359508 0.060 Uiso 1 1 calc R . . . .
C64 C 0.8560(2) 0.18219(16) 0.60616(17) 0.0399(9) Uani 1 1 d . . . . .
H64A H 0.913932 0.178783 0.624691 0.048 Uiso 1 1 calc R . . . .
H64B H 0.836862 0.214879 0.611801 0.048 Uiso 1 1 calc R . . . .
C86 C 0.4758(3) 0.55602(17) 0.8671(2) 0.0568(13) Uani 1 1 d . . . . .
H86 H 0.522350 0.567400 0.847148 0.068 Uiso 1 1 calc R . . . .
C16 C 0.7094(3) 0.23151(16) 0.7828(2) 0.0491(11) Uani 1 1 d . . . . .
H16A H 0.708801 0.232517 0.824703 0.059 Uiso 1 1 calc R . . . .
H16B H 0.743222 0.203823 0.772447 0.059 Uiso 1 1 calc R . . . .
C23 C 0.0983(3) 0.17996(15) 0.5935(2) 0.0449(10) Uani 1 1 d . . . . .
H23A H 0.089648 0.163577 0.629707 0.054 Uiso 1 1 calc R . . . .
H23B H 0.046829 0.174832 0.567916 0.054 Uiso 1 1 calc R . . . .
C53 C 0.5404(3) 0.28633(17) 0.25491(17) 0.0485(11) Uani 1 1 d . . . . .
H53A H 0.564836 0.307884 0.227267 0.058 Uiso 1 1 calc R . . . .
H53B H 0.547118 0.253842 0.241010 0.058 Uiso 1 1 calc R . . . .
C28 C -0.0958(3) 0.3593(2) 0.6539(2) 0.0556(12) Uani 1 1 d . . . . .
H28A H -0.108698 0.326190 0.662617 0.067 Uiso 1 1 calc R . . . .
H28B H -0.141100 0.379172 0.668876 0.067 Uiso 1 1 calc R . . . .
C35 C 0.2228(3) 0.42059(17) 0.44790(18) 0.0498(12) Uani 1 1 d . . . . .
H35A H 0.228348 0.455110 0.451084 0.060 Uiso 1 1 calc R . . . .
H35B H 0.280121 0.407394 0.442664 0.060 Uiso 1 1 calc R . . . .
C52 C 0.4464(3) 0.29703(16) 0.25874(18) 0.0473(11) Uani 1 1 d . . . . .
H52A H 0.416712 0.293853 0.220766 0.057 Uiso 1 1 calc R . . . .
H52B H 0.420982 0.274236 0.284477 0.057 Uiso 1 1 calc R . . . .
C82 C 0.3340(3) 0.52743(16) 0.8684(2) 0.0464(10) Uani 1 1 d . . . . .
H82 H 0.281611 0.518504 0.849183 0.056 Uiso 1 1 calc R . . . .
C80 C 0.3886(4) 0.5480(2) 0.7745(2) 0.0609(13) Uani 1 1 d . . . . .
H80A H 0.348060 0.573297 0.764572 0.091 Uiso 1 1 calc GR . . . .
H80B H 0.366494 0.518340 0.758609 0.091 Uiso 1 1 calc GR . . . .
H80C H 0.443689 0.555073 0.759049 0.091 Uiso 1 1 calc GR . . . .
C27 C -0.0097(3) 0.37276(19) 0.6826(2) 0.0510(12) Uani 1 1 d . . . . .
H27A H -0.010881 0.367305 0.723964 0.061 Uiso 1 1 calc R . . . .
H27B H 0.000788 0.406593 0.676570 0.061 Uiso 1 1 calc R . . . .
C21 C 0.1921(3) 0.18454(15) 0.5121(2) 0.0482(11) Uani 1 1 d . . . . .
H21A H 0.143531 0.179203 0.484139 0.058 Uiso 1 1 calc R . . . .
H21B H 0.244073 0.171372 0.496402 0.058 Uiso 1 1 calc R . . . .
C83 C 0.3427(3) 0.52361(17) 0.9271(2) 0.0524(11) Uani 1 1 d . . . . .
H83 H 0.296221 0.512715 0.947504 0.063 Uiso 1 1 calc R . . . .
C34 C 0.1630(4) 0.40841(19) 0.39654(19) 0.0568(14) Uani 1 1 d . . . . .
H34A H 0.107408 0.424244 0.400029 0.068 Uiso 1 1 calc R . . . .
H34B H 0.187832 0.420063 0.361634 0.068 Uiso 1 1 calc R . . . .
C22 C 0.1753(3) 0.15964(15) 0.5669(2) 0.0514(12) Uani 1 1 d . . . . .
H22A H 0.165708 0.125836 0.559266 0.062 Uiso 1 1 calc R . . . .
H22B H 0.225980 0.162664 0.593748 0.062 Uiso 1 1 calc R . . . .
C84 C 0.4182(3) 0.53552(17) 0.9556(2) 0.0549(13) Uani 1 1 d . . . . .
H84 H 0.424814 0.532662 0.995739 0.066 Uiso 1 1 calc R . . . .
C88 C 0.2659(3) 0.0308(2) 0.3856(2) 0.0608(14) Uani 1 1 d . . . . .
C85 C 0.4842(3) 0.55165(18) 0.9253(2) 0.0591(14) Uani 1 1 d . . . . .
H85 H 0.536705 0.559985 0.944793 0.071 Uiso 1 1 calc R . . . .
C89 C 0.2604(4) 0.0748(2) 0.4088(3) 0.0656(16) Uani 1 1 d . . . . .
H89 H 0.224931 0.079219 0.439565 0.079 Uiso 1 1 calc R . . . .
C93 C 0.3187(4) 0.0242(3) 0.3411(3) 0.0766(19) Uani 1 1 d . . . . .
H93 H 0.324563 -0.005754 0.324035 0.092 Uiso 1 1 calc R . . . .
C75 C 0.1252(6) 0.5534(3) 0.7537(3) 0.092(2) Uani 1 1 d . . . . .
H75 H 0.181705 0.541483 0.753426 0.111 Uiso 1 1 calc R . . . .
C90 C 0.3017(4) 0.1107(3) 0.3902(3) 0.0782(18) Uani 1 1 d . . . . .
H90 H 0.295022 0.140491 0.407511 0.094 Uiso 1 1 calc R . . . .
C92 C 0.3649(4) 0.0650(4) 0.3215(3) 0.094(3) Uani 1 1 d . . . . .
H92 H 0.401956 0.062296 0.291313 0.113 Uiso 1 1 calc R . . . .
C91 C 0.3538(4) 0.1068(3) 0.3471(4) 0.087(2) Uani 1 1 d . . . . .
H91 H 0.383051 0.133696 0.334572 0.105 Uiso 1 1 calc R . . . .
C79 C 0.0299(5) 0.6164(3) 0.7725(2) 0.089(2) Uani 1 1 d . . . . .
H79 H 0.021176 0.647497 0.785365 0.107 Uiso 1 1 calc R . . . .
C74 C 0.1105(6) 0.5978(3) 0.7720(2) 0.085(2) Uani 1 1 d . . . . .
C87 C 0.2166(5) -0.0077(3) 0.4058(4) 0.107(3) Uani 1 1 d . . . . .
H87A H 0.218753 -0.007230 0.447348 0.161 Uiso 1 1 calc GR . . . .
H87B H 0.240299 -0.037387 0.392868 0.161 Uiso 1 1 calc GR . . . .
H87C H 0.157180 -0.004738 0.390904 0.161 Uiso 1 1 calc GR . . . .
C76 C 0.0557(8) 0.5260(4) 0.7356(3) 0.125(4) Uani 1 1 d . . . . .
H76 H 0.065196 0.494842 0.723314 0.150 Uiso 1 1 calc R . . . .
C78 C -0.0376(7) 0.5888(4) 0.7538(3) 0.114(3) Uani 1 1 d . . . . .
H78 H -0.093696 0.601379 0.753693 0.136 Uiso 1 1 calc R . . . .
C73 C 0.1881(7) 0.6292(4) 0.7907(3) 0.121(3) Uani 1 1 d . . . . .
H73A H 0.208581 0.620853 0.829385 0.181 Uiso 1 1 calc GR . . . .
H73B H 0.170737 0.662238 0.789563 0.181 Uiso 1 1 calc GR . . . .
H73C H 0.233955 0.624304 0.764899 0.181 Uiso 1 1 calc GR . . . .
C77 C -0.0266(8) 0.5428(4) 0.7350(3) 0.125(4) Uani 1 1 d . . . . .
H77 H -0.073863 0.524003 0.722253 0.150 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 I4 3.1917(3) . ?
Dy1 I3 3.1176(3) . ?
Dy1 I1 2.9848(3) . ?
Dy1 I2 3.0179(3) . ?
Dy1 O1 2.195(2) . ?
Dy1 O2 2.184(2) . ?
Dy2 I4 3.1073(3) . ?
Dy2 I3 3.1184(3) . ?
Dy2 I5 3.0221(3) . ?
Dy2 I6 3.0315(3) . ?
Dy2 O3 2.180(2) . ?
Dy2 O4 2.172(2) . ?
P3 O3 1.517(2) . ?
P3 C67 1.820(3) . ?
P3 C55 1.814(3) . ?
P3 C61 1.818(3) . ?
P4 O4 1.529(2) . ?
P4 C37 1.816(3) . ?
P4 C43 1.810(3) . ?
P4 C49 1.813(3) . ?
P2 O2 1.512(2) . ?
P2 C25 1.825(4) . ?
P2 C31 1.822(4) . ?
P2 C19 1.819(3) . ?
P1 O1 1.516(2) . ?
P1 C13 1.815(4) . ?
P1 C7 1.821(4) . ?
P1 C1 1.826(4) . ?
C25 C30 1.530(5) . ?
C25 C26 1.539(5) . ?
C37 C42 1.543(4) . ?
C37 C38 1.537(4) . ?
C67 C72 1.538(5) . ?
C67 C68 1.540(5) . ?
C43 C48 1.536(5) . ?
C43 C44 1.542(5) . ?
C62 C61 1.542(5) . ?
C62 C63 1.532(5) . ?
C13 C18 1.540(5) . ?
C13 C14 1.538(5) . ?
C72 C71 1.526(5) . ?
C55 C56 1.547(4) . ?
C55 C60 1.540(4) . ?
C61 C66 1.549(5) . ?
C49 C50 1.546(5) . ?
C49 C54 1.528(5) . ?
C56 C57 1.522(5) . ?
C31 C36 1.538(5) . ?
C31 C32 1.532(4) . ?
C60 C59 1.527(5) . ?
C68 C69 1.529(5) . ?
C50 C51 1.530(5) . ?
C41 C42 1.531(5) . ?
C41 C40 1.522(5) . ?
C19 C24 1.531(5) . ?
C19 C20 1.534(5) . ?
C24 C23 1.527(6) . ?
C7 C12 1.535(5) . ?
C7 C8 1.541(5) . ?
C36 C35 1.529(6) . ?
C30 C29 1.528(6) . ?
C48 C47 1.536(5) . ?
C66 C65 1.533(5) . ?
C71 C70 1.526(5) . ?
C54 C53 1.532(5) . ?
C70 C69 1.515(5) . ?
C3 C2 1.520(5) . ?
C3 C4 1.513(5) . ?
C1 C2 1.529(5) . ?
C1 C6 1.541(4) . ?
C47 C46 1.525(7) . ?
C40 C39 1.522(5) . ?
C18 C17 1.527(6) . ?
C38 C39 1.529(5) . ?
C14 C15 1.531(6) . ?
C51 C52 1.512(7) . ?
C65 C64 1.516(6) . ?
C6 C5 1.530(6) . ?
C26 C27 1.527(6) . ?
C11 C12 1.522(5) . ?
C11 C10 1.522(6) . ?
C15 C16 1.511(7) . ?
C59 C58 1.528(5) . ?
C4 C5 1.512(6) . ?
C57 C58 1.526(5) . ?
C63 C64 1.516(6) . ?
C20 C21 1.519(6) . ?
C44 C45 1.531(5) . ?
C32 C33 1.527(6) . ?
C45 C46 1.519(6) . ?
C17 C16 1.530(6) . ?
C8 C9 1.531(6) . ?
C81 C86 1.391(7) . ?
C81 C82 1.386(7) . ?
C81 C80 1.486(7) . ?
C10 C9 1.521(6) . ?
C29 C28 1.515(7) . ?
C33 C34 1.503(7) . ?
C86 C85 1.379(8) . ?
C23 C22 1.511(6) . ?
C53 C52 1.514(7) . ?
C28 C27 1.523(6) . ?
C35 C34 1.528(6) . ?
C82 C83 1.389(7) . ?
C21 C22 1.513(7) . ?
C83 C84 1.370(7) . ?
C84 C85 1.373(8) . ?
C88 C89 1.372(8) . ?
C88 C93 1.392(9) . ?
C88 C87 1.440(9) . ?
C89 C90 1.302(9) . ?
C93 C92 1.461(11) . ?
C75 C74 1.361(10) . ?
C75 C76 1.388(13) . ?
C90 C91 1.348(11) . ?
C92 C91 1.351(11) . ?
C79 C74 1.371(10) . ?
C79 C78 1.370(13) . ?
C74 C73 1.553(13) . ?
C76 C77 1.376(14) . ?
C78 C77 1.398(13) . ?

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
I3 Dy1 I4 79.247(7) . . ?
I1 Dy1 I4 84.823(8) . . ?
I1 Dy1 I3 164.070(9) . . ?
I1 Dy1 I2 100.343(9) . . ?
I2 Dy1 I4 174.432(8) . . ?
I2 Dy1 I3 95.570(8) . . ?
O1 Dy1 I4 91.87(6) . . ?
O1 Dy1 I3 88.63(6) . . ?
O1 Dy1 I1 92.06(6) . . ?
O1 Dy1 I2 90.03(6) . . ?
O2 Dy1 I4 91.82(6) . . ?
O2 Dy1 I3 89.01(6) . . ?
O2 Dy1 I1 91.37(6) . . ?
O2 Dy1 I2 86.01(6) . . ?
O2 Dy1 O1 175.17(9) . . ?
I4 Dy2 I3 80.536(7) . . ?
I5 Dy2 I4 91.551(8) . . ?
I5 Dy2 I3 93.116(8) . . ?
I5 Dy2 I6 169.593(9) . . ?
I6 Dy2 I4 96.852(9) . . ?
I6 Dy2 I3 94.309(8) . . ?
O3 Dy2 I4 87.17(6) . . ?
O3 Dy2 I3 167.70(6) . . ?
O3 Dy2 I5 87.09(6) . . ?
O3 Dy2 I6 87.20(6) . . ?
O4 Dy2 I4 167.55(6) . . ?
O4 Dy2 I3 87.44(6) . . ?
O4 Dy2 I5 85.85(6) . . ?
O4 Dy2 I6 87.20(6) . . ?
O4 Dy2 O3 104.83(8) . . ?
Dy2 I4 Dy1 99.329(8) . . ?
Dy1 I3 Dy2 100.712(8) . . ?
O3 P3 C67 109.69(14) . . ?
O3 P3 C55 109.05(14) . . ?
O3 P3 C61 109.21(14) . . ?
C55 P3 C67 109.10(15) . . ?
C55 P3 C61 108.05(15) . . ?
C61 P3 C67 111.69(15) . . ?
O4 P4 C37 108.69(14) . . ?
O4 P4 C43 108.60(14) . . ?
O4 P4 C49 109.13(14) . . ?
C43 P4 C37 109.78(15) . . ?
C43 P4 C49 112.99(16) . . ?
C49 P4 C37 107.56(15) . . ?
O2 P2 C25 110.37(14) . . ?
O2 P2 C31 108.22(15) . . ?
O2 P2 C19 108.84(15) . . ?
C31 P2 C25 110.43(17) . . ?
C19 P2 C25 110.86(16) . . ?
C19 P2 C31 108.04(17) . . ?
O1 P1 C13 108.69(15) . . ?
O1 P1 C7 111.00(14) . . ?
O1 P1 C1 108.46(14) . . ?
C13 P1 C7 106.90(16) . . ?
C13 P1 C1 109.89(16) . . ?
C7 P1 C1 111.85(16) . . ?
P1 O1 Dy1 163.19(15) . . ?
P2 O2 Dy1 170.87(15) . . ?
P3 O3 Dy2 174.29(14) . . ?
P4 O4 Dy2 167.83(14) . . ?
C30 C25 P2 113.5(3) . . ?
C30 C25 C26 110.9(3) . . ?
C26 C25 P2 113.2(2) . . ?
C42 C37 P4 117.7(2) . . ?
C38 C37 P4 112.1(2) . . ?
C38 C37 C42 110.3(3) . . ?
C72 C67 P3 115.1(2) . . ?
C72 C67 C68 110.0(3) . . ?
C68 C67 P3 112.8(2) . . ?
C48 C43 P4 113.4(2) . . ?
C48 C43 C44 111.4(3) . . ?
C44 C43 P4 114.1(2) . . ?
C63 C62 C61 111.6(3) . . ?
C18 C13 P1 112.1(3) . . ?
C14 C13 P1 116.8(3) . . ?
C14 C13 C18 110.6(3) . . ?
C71 C72 C67 109.7(3) . . ?
C56 C55 P3 114.5(2) . . ?
C60 C55 P3 112.1(2) . . ?
C60 C55 C56 109.6(3) . . ?
C62 C61 P3 110.6(2) . . ?
C62 C61 C66 110.5(3) . . ?
C66 C61 P3 110.0(2) . . ?
C50 C49 P4 109.1(2) . . ?
C54 C49 P4 111.6(2) . . ?
C54 C49 C50 111.0(3) . . ?
C57 C56 C55 110.8(3) . . ?
C36 C31 P2 112.2(3) . . ?
C32 C31 P2 116.1(3) . . ?
C32 C31 C36 110.2(3) . . ?
C59 C60 C55 110.0(3) . . ?
C69 C68 C67 109.5(3) . . ?
C51 C50 C49 111.6(3) . . ?
C40 C41 C42 110.5(3) . . ?
C24 C19 P2 112.2(3) . . ?
C24 C19 C20 111.3(3) . . ?
C20 C19 P2 108.0(2) . . ?
C23 C24 C19 111.3(3) . . ?
C12 C7 P1 110.5(2) . . ?
C12 C7 C8 110.3(3) . . ?
C8 C7 P1 114.3(2) . . ?
C35 C36 C31 109.8(3) . . ?
C41 C42 C37 108.8(3) . . ?
C29 C30 C25 111.3(3) . . ?
C47 C48 C43 110.5(3) . . ?
C65 C66 C61 111.7(3) . . ?
C72 C71 C70 112.3(3) . . ?
C49 C54 C53 111.6(3) . . ?
C69 C70 C71 111.5(3) . . ?
C4 C3 C2 111.6(3) . . ?
C2 C1 P1 113.2(2) . . ?
C2 C1 C6 111.7(3) . . ?
C6 C1 P1 113.8(3) . . ?
C46 C47 C48 111.0(3) . . ?
C41 C40 C39 111.6(3) . . ?
C3 C2 C1 110.3(3) . . ?
C70 C69 C68 111.9(3) . . ?
C17 C18 C13 109.5(3) . . ?
C39 C38 C37 110.1(3) . . ?
C15 C14 C13 110.4(3) . . ?
C52 C51 C50 110.8(3) . . ?
C64 C65 C66 111.6(3) . . ?
C5 C6 C1 109.8(3) . . ?
C27 C26 C25 110.6(3) . . ?
C10 C11 C12 111.2(3) . . ?
C11 C12 C7 110.5(3) . . ?
C16 C15 C14 111.2(4) . . ?
C60 C59 C58 111.4(3) . . ?
C5 C4 C3 111.0(3) . . ?
C56 C57 C58 111.0(3) . . ?
C64 C63 C62 111.8(3) . . ?
C21 C20 C19 112.2(3) . . ?
C45 C44 C43 110.3(3) . . ?
C33 C32 C31 110.1(3) . . ?
C46 C45 C44 111.0(3) . . ?
C18 C17 C16 111.0(3) . . ?
C9 C8 C7 110.9(3) . . ?
C86 C81 C80 122.2(5) . . ?
C82 C81 C86 117.2(5) . . ?
C82 C81 C80 120.6(4) . . ?
C4 C5 C6 111.6(3) . . ?
C9 C10 C11 110.5(4) . . ?
C28 C29 C30 111.2(4) . . ?
C10 C9 C8 112.3(4) . . ?
C40 C39 C38 112.0(3) . . ?
C57 C58 C59 111.1(3) . . ?
C45 C46 C47 111.7(3) . . ?
C34 C33 C32 111.6(4) . . ?
C65 C64 C63 110.7(3) . . ?
C85 C86 C81 120.7(5) . . ?
C15 C16 C17 111.8(3) . . ?
C22 C23 C24 111.1(4) . . ?
C52 C53 C54 111.4(4) . . ?
C29 C28 C27 110.6(4) . . ?
C34 C35 C36 110.9(4) . . ?
C51 C52 C53 110.4(4) . . ?
C81 C82 C83 121.7(4) . . ?
C28 C27 C26 111.5(4) . . ?
C22 C21 C20 111.0(4) . . ?
C84 C83 C82 120.1(5) . . ?
C33 C34 C35 111.2(4) . . ?
C23 C22 C21 111.1(4) . . ?
C83 C84 C85 118.8(5) . . ?
C89 C88 C93 118.7(6) . . ?
C89 C88 C87 121.1(7) . . ?
C93 C88 C87 120.2(7) . . ?
C84 C85 C86 121.4(5) . . ?
C90 C89 C88 122.7(7) . . ?
C88 C93 C92 117.4(6) . . ?
C74 C75 C76 118.4(9) . . ?
C89 C90 C91 121.7(8) . . ?
C91 C92 C93 118.7(7) . . ?
C90 C91 C92 120.8(8) . . ?
C78 C79 C74 118.2(8) . . ?
C75 C74 C79 122.3(9) . . ?
C75 C74 C73 118.7(8) . . ?
C79 C74 C73 118.9(7) . . ?
C77 C76 C75 121.8(10) . . ?
C79 C78 C77 122.1(10) . . ?
C76 C77 C78 117.2(11) . . ?

_olex2_submission_special_instructions 'No special instructions were received'

# SQUEEZE RESULTS (Version = 160117)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.500 0.500 212 62 ' '
2 0.249 0.916 0.258 17 2 ' '
3 0.251 0.416 0.242 17 2 ' '
4 0.500 0.000 1.000 212 62 ' '
5 0.749 0.584 0.758 17 2 ' '
6 0.751 0.084 0.742 17 2 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          ?
