# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_2
_audit_block_doi                 10.5517/ccdc.csd.cc1mnz2b
_database_code_depnum_ccdc_archive 'CCDC 1509702'
_audit_update_record             
;
2016-11-13 deposited with the CCDC.
2016-12-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C52 H89 Dy3 N6 O24'
_chemical_formula_weight         1669.79

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'
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'

_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                   13.335(6)
_cell_length_b                   16.628(7)
_cell_length_c                   18.090(8)
_cell_angle_alpha                77.468(7)
_cell_angle_beta                 70.836(6)
_cell_angle_gamma                68.592(6)
_cell_volume                     3506(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9838
_cell_measurement_theta_min      2.33
_cell_measurement_theta_max      23.91

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.582
_exptl_crystal_F_000             1666
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.24
_exptl_absorpt_coefficient_mu    3.237
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.364
_exptl_absorpt_correction_T_max  0.460
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            33248
_diffrn_reflns_av_unetI/netI     0.0286
_diffrn_reflns_av_R_equivalents  0.0247
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.199
_diffrn_reflns_theta_max         24.037
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.862
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.862
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.862
_reflns_number_total             10931
_reflns_number_gt                9276
_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    'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXL-2014 (Sheldrick, 2014)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'

_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)+(0.0485P)²+16.7172P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10931
_refine_ls_number_parameters     742
_refine_ls_number_restraints     600
_refine_ls_R_factor_all          0.0484
_refine_ls_R_factor_gt           0.0383
_refine_ls_wR_factor_ref         0.1037
_refine_ls_wR_factor_gt          0.0967
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.120
_refine_ls_shift/su_max          0.026
_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
Dy2 Dy 0.91917(2) 0.52496(2) 0.11811(2) 0.03032(9) Uani 1 1 d . . . . .
Dy1 Dy 0.63208(3) 0.72897(2) 0.25908(2) 0.03368(10) Uani 1 1 d . . . . .
Dy3 Dy 0.55043(3) 0.96310(2) 0.38563(2) 0.03158(9) Uani 1 1 d . . . . .
O1 O 1.2406(4) 0.4412(3) -0.0688(3) 0.0392(11) Uani 1 1 d . . . . .
O2 O 0.9386(4) 0.3806(3) 0.1087(3) 0.0409(11) Uani 1 1 d . . . . .
H2C H 0.9769 0.3674 0.0626 0.049 Uiso 1 1 d R U . . .
H2D H 0.8899 0.3544 0.1258 0.049 Uiso 1 1 d R U . . .
O3 O 1.0939(4) 0.4813(3) 0.0296(3) 0.0408(11) Uani 1 1 d . . . . .
O4 O 0.7926(5) 0.4908(3) 0.2265(3) 0.0605(11) Uani 1 1 d D U . . .
O5 O 0.7214(5) 0.5923(3) 0.3059(3) 0.0626(11) Uani 1 1 d D U . . .
O6 O 0.9319(4) 0.6547(3) 0.0391(3) 0.0438(12) Uani 1 1 d . . . . .
O7 O 0.7861(4) 0.6875(3) 0.1394(3) 0.0366(10) Uani 1 1 d . . . . .
O8 O 0.9761(4) 0.5924(3) 0.1979(3) 0.0529(13) Uani 1 1 d . . . . .
O9 O 1.0320(5) 0.4513(3) 0.2124(3) 0.0536(13) Uani 1 1 d . . . . .
O10 O 0.5847(4) 0.6644(4) 0.1758(3) 0.0581(15) Uani 1 1 d . . . . .
H10A H 0.5197 0.6597 0.1881 0.070 Uiso 1 1 d R U . . .
H10B H 0.6328 0.6460 0.1337 0.070 Uiso 1 1 d R U . . .
O11 O 0.8017(4) 0.7379(3) 0.2714(4) 0.0618(16) Uani 1 1 d . . . . .
H11A H 0.8049 0.7452 0.3155 0.074 Uiso 1 1 d R U . . .
H11B H 0.8585 0.7337 0.2315 0.074 Uiso 1 1 d R U . . .
O12 O 0.4892(5) 0.6787(4) 0.3532(4) 0.0713(17) Uani 1 1 d . . . . .
O13 O 0.4213(5) 0.7865(4) 0.2724(4) 0.0653(16) Uani 1 1 d . . . . .
O14 O 0.6092(4) 0.8647(3) 0.1973(3) 0.0478(12) Uani 1 1 d . . . . .
O15 O 0.5148(4) 0.9746(3) 0.2685(3) 0.0449(12) Uani 1 1 d . . . . .
O16 O 0.5900(4) 0.7991(3) 0.3722(3) 0.0393(11) Uani 1 1 d . . . . .
O17 O 0.5966(4) 0.8396(3) 0.4768(3) 0.0429(12) Uani 1 1 d . . . . .
O18 O 0.7472(4) 0.8953(3) 0.3212(3) 0.0457(12) Uani 1 1 d . . . . .
O19 O 0.6854(4) 1.0342(3) 0.2881(3) 0.0531(13) Uani 1 1 d . . . . .
O20 O 0.6058(4) 1.0118(3) 0.4719(3) 0.0434(12) Uani 1 1 d . . . . .
O21 O 0.4421(4) 1.1107(3) 0.3797(3) 0.0406(11) Uani 1 1 d . . . . .
H21C H 0.4271 1.1278 0.4242 0.049 Uiso 1 1 d R U . . .
H21D H 0.3846 1.1343 0.3624 0.049 Uiso 1 1 d R U . . .
O22 O 0.6306(4) 1.0541(3) 0.5675(3) 0.0502(13) Uani 1 1 d . . . . .
O23 O 0.2963(7) 0.8301(6) 0.1750(5) 0.1146(19) Uani 1 1 d . U . . .
H23 H 0.3387 0.8121 0.2033 0.172 Uiso 1 1 calc R U . . .
O24 O 0.3903(8) 0.7038(6) 0.1354(5) 0.1146(19) Uani 1 1 d . U . . .
N1 N 0.2594(6) 0.1834(4) 0.3176(4) 0.0609(18) Uani 1 1 d . . . . .
N2 N 0.2184(6) 0.2672(5) 0.3021(5) 0.067(2) Uani 1 1 d . . . . .
N3 N 0.1347(6) 0.2835(4) 0.2696(4) 0.0577(18) Uani 1 1 d . . . . .
H3 H 0.0951 0.3346 0.2548 0.069 Uiso 1 1 calc R U . . .
N4 N 0.7717(6) 0.2987(4) 0.1740(4) 0.0600(18) Uani 1 1 d . . . . .
N5 N 0.7911(6) 0.2150(4) 0.1932(5) 0.0639(19) Uani 1 1 d . . . . .
N6 N 0.6912(6) 0.2016(4) 0.2230(4) 0.0564(17) Uani 1 1 d . . . . .
H6A H 0.6829 0.1514 0.2402 0.068 Uiso 1 1 calc R U . . .
C1 C 1.1994(5) 0.4535(4) 0.0022(4) 0.0354(15) Uani 1 1 d . U . . .
C2 C 1.2721(7) 0.4351(6) 0.0554(5) 0.061(2) Uani 1 1 d . U . . .
H2 H 1.2313 0.4614 0.1048 0.073 Uiso 1 1 calc R U . . .
C3 C 1.3772(12) 0.4526(11) 0.0188(9) 0.143(5) Uani 1 1 d D U . . .
H3A H 1.4183 0.4390 0.0570 0.214 Uiso 1 1 calc R U . . .
H3B H 1.4202 0.4174 -0.0237 0.214 Uiso 1 1 calc R U . . .
H3C H 1.3627 0.5129 -0.0013 0.214 Uiso 1 1 calc R U . . .
C4 C 1.3255(14) 0.3363(9) 0.0693(9) 0.166(6) Uani 1 1 d D U . . .
H4A H 1.2678 0.3100 0.0945 0.248 Uiso 1 1 calc R U . . .
H4B H 1.3680 0.3139 0.0198 0.248 Uiso 1 1 calc R U . . .
H4C H 1.3742 0.3234 0.1024 0.248 Uiso 1 1 calc R U . . .
C5 C 0.7458(8) 0.5157(5) 0.2935(5) 0.0733(10) Uani 1 1 d D U . . .
C6 C 0.7321(6) 0.4531(5) 0.3599(5) 0.0733(10) Uani 1 1 d D U . . .
H6 H 0.7619 0.4684 0.3958 0.088 Uiso 1 1 calc R U . . .
C7 C 0.7918(7) 0.3615(5) 0.3561(5) 0.0733(10) Uani 1 1 d D U . . .
H7A H 0.7711 0.3303 0.4069 0.110 Uiso 1 1 calc R U . . .
H7B H 0.7732 0.3412 0.3181 0.110 Uiso 1 1 calc R U . . .
H7C H 0.8710 0.3522 0.3408 0.110 Uiso 1 1 calc R U . . .
C8 C 0.6173(6) 0.4592(5) 0.4062(5) 0.0733(10) Uani 1 1 d D U . . .
H8A H 0.6184 0.4138 0.4493 0.110 Uiso 1 1 calc R U . . .
H8B H 0.5808 0.5147 0.4263 0.110 Uiso 1 1 calc R U . . .
H8C H 0.5772 0.4531 0.3734 0.110 Uiso 1 1 calc R U . . .
C9 C 1.0259(7) 0.5221(6) 0.2307(5) 0.056(2) Uani 1 1 d . U . . .
C10 C 1.0789(11) 0.5191(8) 0.2940(7) 0.097(3) Uani 1 1 d . U . . .
H10 H 1.1464 0.4680 0.2879 0.116 Uiso 1 1 calc R U . . .
C11 C 1.0029(15) 0.5027(12) 0.3727(9) 0.162(6) Uani 1 1 d . U . . .
H11C H 0.9830 0.4523 0.3740 0.243 Uiso 1 1 calc R U . . .
H11D H 1.0403 0.4929 0.4126 0.243 Uiso 1 1 calc R U . . .
H11E H 0.9365 0.5522 0.3823 0.243 Uiso 1 1 calc R U . . .
C12 C 1.1153(16) 0.5926(12) 0.2839(11) 0.172(6) Uani 1 1 d . U . . .
H12A H 1.1637 0.5980 0.2317 0.259 Uiso 1 1 calc R U . . .
H12B H 1.0515 0.6442 0.2915 0.259 Uiso 1 1 calc R U . . .
H12C H 1.1553 0.5849 0.3218 0.259 Uiso 1 1 calc R U . . .
C13 C 0.4091(10) 0.7300(8) 0.3288(7) 0.081(3) Uani 1 1 d . U . . .
C14 C 0.3092(10) 0.7225(8) 0.3800(10) 0.136(4) Uani 1 1 d D U . . .
H14 H 0.3147 0.7243 0.4323 0.163 Uiso 1 1 calc R U . . .
C15 C 0.2852(12) 0.6404(7) 0.3863(10) 0.157(5) Uani 1 1 d D U . . .
H15A H 0.2137 0.6436 0.4235 0.235 Uiso 1 1 calc R U . . .
H15B H 0.2838 0.6322 0.3358 0.235 Uiso 1 1 calc R U . . .
H15C H 0.3424 0.5925 0.4037 0.235 Uiso 1 1 calc R U . . .
C16 C 0.1962(11) 0.7824(8) 0.3779(11) 0.180(7) Uani 1 1 d D U . . .
H16A H 0.1409 0.7630 0.4197 0.270 Uiso 1 1 calc R U . . .
H16B H 0.1902 0.8399 0.3846 0.270 Uiso 1 1 calc R U . . .
H16C H 0.1843 0.7832 0.3282 0.270 Uiso 1 1 calc R U . . .
C17 C 0.8508(6) 0.7117(4) 0.0773(4) 0.0364(15) Uani 1 1 d . U . . .
C18 C 0.8333(7) 0.8046(5) 0.0472(5) 0.060(2) Uani 1 1 d . U . . .
H18 H 0.7926 0.8393 0.0917 0.072 Uiso 1 1 calc R U . . .
C19 C 0.9437(9) 0.8238(6) 0.0066(7) 0.097(4) Uani 1 1 d . U . . .
H19A H 0.9283 0.8845 -0.0119 0.145 Uiso 1 1 calc R U . . .
H19B H 0.9874 0.8086 0.0433 0.145 Uiso 1 1 calc R U . . .
H19C H 0.9845 0.7902 -0.0372 0.145 Uiso 1 1 calc R U . . .
C20 C 0.7616(10) 0.8288(8) -0.0083(7) 0.111(4) Uani 1 1 d . U . . .
H20A H 0.7490 0.8889 -0.0287 0.167 Uiso 1 1 calc R U . . .
H20B H 0.7989 0.7934 -0.0510 0.167 Uiso 1 1 calc R U . . .
H20C H 0.6911 0.8195 0.0193 0.167 Uiso 1 1 calc R U . . .
C21 C 0.6083(7) 0.7796(4) 0.4392(4) 0.0452(17) Uani 1 1 d . U . . .
C22 C 0.6457(10) 0.6875(6) 0.4758(6) 0.079(2) Uani 1 1 d . U . . .
H22 H 0.6677 0.6481 0.4360 0.095 Uiso 1 1 calc R U . . .
C23 C 0.5377(14) 0.6769(9) 0.5399(8) 0.132(5) Uani 1 1 d . U . . .
H23A H 0.4787 0.6899 0.5155 0.198 Uiso 1 1 calc R U . . .
H23B H 0.5531 0.6182 0.5648 0.198 Uiso 1 1 calc R U . . .
H23C H 0.5150 0.7160 0.5786 0.198 Uiso 1 1 calc R U . . .
C24 C 0.7376(13) 0.6688(8) 0.5089(9) 0.139(5) Uani 1 1 d . U . . .
H24A H 0.7574 0.6092 0.5313 0.209 Uiso 1 1 calc R U . . .
H24B H 0.8008 0.6788 0.4682 0.209 Uiso 1 1 calc R U . . .
H24C H 0.7157 0.7060 0.5491 0.209 Uiso 1 1 calc R U . . .
C25 C 0.5517(6) 0.9428(4) 0.2051(4) 0.0374(15) Uani 1 1 d . U . . .
C26 C 0.5274(7) 1.0007(5) 0.1315(5) 0.0552(19) Uani 1 1 d . U . . .
H26 H 0.5973 0.9871 0.0891 0.066 Uiso 1 1 calc R U . . .
C27 C 0.4445(9) 0.9766(8) 0.1091(6) 0.097(3) Uani 1 1 d . U . . .
H27A H 0.4285 1.0128 0.0625 0.145 Uiso 1 1 calc R U . . .
H27B H 0.4751 0.9168 0.0990 0.145 Uiso 1 1 calc R U . . .
H27C H 0.3767 0.9846 0.1513 0.145 Uiso 1 1 calc R U . . .
C28 C 0.4913(10) 1.0971(6) 0.1387(6) 0.095(4) Uani 1 1 d . U . . .
H28A H 0.5470 1.1092 0.1532 0.143 Uiso 1 1 calc R U . . .
H28B H 0.4828 1.1297 0.0892 0.143 Uiso 1 1 calc R U . . .
H28C H 0.4211 1.1133 0.1784 0.143 Uiso 1 1 calc R U . . .
C29 C 0.6666(6) 1.0314(5) 0.5009(4) 0.0448(17) Uani 1 1 d . U . . .
C30 C 0.7800(9) 1.0306(8) 0.4511(7) 0.086(3) Uani 1 1 d . U . . .
H30 H 0.7885 1.0105 0.4017 0.104 Uiso 1 1 calc R U . . .
C31 C 0.7987(16) 1.1099(13) 0.4301(12) 0.196(7) Uani 1 1 d . U . . .
H31A H 0.7395 1.1514 0.4095 0.295 Uiso 1 1 calc R U . . .
H31B H 0.8007 1.1297 0.4755 0.295 Uiso 1 1 calc R U . . .
H31C H 0.8690 1.1037 0.3905 0.295 Uiso 1 1 calc R U . . .
C32 C 0.8675(13) 0.9701(13) 0.4813(10) 0.188(7) Uani 1 1 d . U . . .
H32A H 0.8550 0.9148 0.4961 0.283 Uiso 1 1 calc R U . . .
H32B H 0.9376 0.9642 0.4417 0.283 Uiso 1 1 calc R U . . .
H32C H 0.8693 0.9902 0.5266 0.283 Uiso 1 1 calc R U . . .
C33 C 0.7634(6) 0.9634(5) 0.2818(5) 0.0493(18) Uani 1 1 d . U . . .
C34 C 0.8768(8) 0.9645(7) 0.2296(6) 0.078(3) Uani 1 1 d . U . . .
H34 H 0.8860 1.0148 0.2433 0.094 Uiso 1 1 calc R U . . .
C35 C 0.9711(8) 0.8905(8) 0.2496(8) 0.108(4) Uani 1 1 d . U . . .
H35A H 0.9604 0.8824 0.3055 0.163 Uiso 1 1 calc R U . . .
H35B H 0.9736 0.8387 0.2328 0.163 Uiso 1 1 calc R U . . .
H35C H 1.0402 0.9026 0.2234 0.163 Uiso 1 1 calc R U . . .
C36 C 0.8758(11) 0.9889(9) 0.1461(7) 0.115(4) Uani 1 1 d . U . . .
H36A H 0.8103 1.0375 0.1423 0.173 Uiso 1 1 calc R U . . .
H36B H 0.9416 1.0044 0.1162 0.173 Uiso 1 1 calc R U . . .
H36C H 0.8750 0.9406 0.1257 0.173 Uiso 1 1 calc R U . . .
C37 C 0.3227(10) 0.7750(9) 0.1266(7) 0.099(3) Uani 1 1 d . U . . .
C38 C 0.2493(12) 0.7965(10) 0.0740(9) 0.119(4) Uani 1 1 d . U . . .
H38 H 0.1782 0.7865 0.1042 0.143 Uiso 1 1 calc R U . . .
C39 C 0.2954(15) 0.7512(13) 0.0084(10) 0.174(6) Uani 1 1 d . U . . .
H39A H 0.2429 0.7688 -0.0224 0.262 Uiso 1 1 calc R U . . .
H39B H 0.3630 0.7634 -0.0228 0.262 Uiso 1 1 calc R U . . .
H39C H 0.3123 0.6900 0.0251 0.262 Uiso 1 1 calc R U . . .
C40 C 0.2264(15) 0.8947(12) 0.0412(10) 0.167(6) Uani 1 1 d . U . . .
H40A H 0.1942 0.9295 0.0842 0.250 Uiso 1 1 calc R U . . .
H40B H 0.2955 0.9041 0.0097 0.250 Uiso 1 1 calc R U . . .
H40C H 0.1754 0.9107 0.0094 0.250 Uiso 1 1 calc R U . . .
C41 C 0.6593(7) 0.3394(5) 0.1914(5) 0.0485(17) Uani 1 1 d . U . . .
C42 C 0.5962(7) 0.4272(5) 0.1832(5) 0.060(2) Uani 1 1 d . U . . .
H42 H 0.6300 0.4702 0.1621 0.072 Uiso 1 1 calc R U . . .
C43 C 0.4828(8) 0.4468(6) 0.2074(6) 0.071(2) Uani 1 1 d . U . . .
H43 H 0.4385 0.5047 0.2030 0.085 Uiso 1 1 calc R U . . .
C44 C 0.4302(8) 0.3830(6) 0.2388(6) 0.072(2) Uani 1 1 d . U . . .
H44 H 0.3524 0.3997 0.2546 0.086 Uiso 1 1 calc R U . . .
C45 C 0.4901(7) 0.2972(6) 0.2467(5) 0.063(2) Uani 1 1 d . U . . .
H45 H 0.4553 0.2547 0.2671 0.076 Uiso 1 1 calc R U . . .
C46 C 0.6065(7) 0.2760(5) 0.2227(4) 0.0478(17) Uani 1 1 d . U . . .
C47 C 0.2006(6) 0.1445(5) 0.2952(5) 0.0491(17) Uani 1 1 d . U . . .
C48 C 0.2135(7) 0.0568(6) 0.2980(5) 0.062(2) Uani 1 1 d . U . . .
H48 H 0.2670 0.0130 0.3192 0.075 Uiso 1 1 calc R U . . .
C49 C 0.1434(8) 0.0382(6) 0.2679(6) 0.071(2) Uani 1 1 d . U . . .
H49 H 0.1495 -0.0195 0.2686 0.085 Uiso 1 1 calc R U . . .
C50 C 0.0624(8) 0.1047(6) 0.2361(6) 0.071(2) Uani 1 1 d . U . . .
H50 H 0.0159 0.0897 0.2167 0.085 Uiso 1 1 calc R U . . .
C51 C 0.0497(7) 0.1900(6) 0.2328(5) 0.062(2) Uani 1 1 d . U . . .
H51 H -0.0035 0.2337 0.2113 0.074 Uiso 1 1 calc R U . . .
C52 C 0.1210(6) 0.2084(5) 0.2633(4) 0.0478(17) Uani 1 1 d . 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
Dy2 O4 2.249(5) . ?
Dy2 O3 2.310(4) . ?
Dy2 O6 2.345(5) . ?
Dy2 O2 2.356(4) . ?
Dy2 O1 2.409(5) 2_765 ?
Dy2 O8 2.442(5) . ?
Dy2 O9 2.472(5) . ?
Dy2 O7 2.666(4) . ?
Dy2 O3 2.761(5) 2_765 ?
Dy2 C9 2.826(8) . ?
Dy2 C17 2.898(6) . ?
Dy2 C1 2.979(7) 2_765 ?
Dy1 O14 2.250(5) . ?
Dy1 O5 2.269(5) . ?
Dy1 O10 2.376(5) . ?
Dy1 O12 2.376(6) . ?
Dy1 O16 2.379(4) . ?
Dy1 O11 2.404(5) . ?
Dy1 O7 2.465(4) . ?
Dy1 O13 2.563(6) . ?
Dy1 C13 2.818(11) . ?
Dy3 O15 2.275(5) . ?
Dy3 O20 2.318(5) . ?
Dy3 O21 2.350(4) . ?
Dy3 O17 2.364(5) . ?
Dy3 O22 2.384(5) 2_676 ?
Dy3 O18 2.433(5) . ?
Dy3 O19 2.513(5) . ?
Dy3 O16 2.633(4) . ?
Dy3 O20 2.732(5) 2_676 ?
Dy3 C33 2.846(8) . ?
Dy3 C21 2.886(7) . ?
Dy3 C29 2.930(7) 2_676 ?
O1 C1 1.251(8) . ?
O1 Dy2 2.409(5) 2_765 ?
O3 C1 1.267(8) . ?
O3 Dy2 2.761(5) 2_765 ?
O4 C5 1.250(7) . ?
O5 C5 1.246(7) . ?
O6 C17 1.261(8) . ?
O7 C17 1.260(8) . ?
O8 C9 1.245(10) . ?
O9 C9 1.257(9) . ?
O12 C13 1.243(13) . ?
O13 C13 1.239(12) . ?
O14 C25 1.255(8) . ?
O15 C25 1.239(8) . ?
O16 C21 1.265(8) . ?
O17 C21 1.261(8) . ?
O18 C33 1.251(9) . ?
O19 C33 1.252(9) . ?
O20 C29 1.260(8) . ?
O20 Dy3 2.732(5) 2_676 ?
O22 C29 1.229(8) . ?
O22 Dy3 2.384(5) 2_676 ?
O23 C37 1.281(14) . ?
O24 C37 1.214(13) . ?
N1 N2 1.302(9) . ?
N1 C47 1.375(10) . ?
N2 N3 1.343(9) . ?
N3 C52 1.359(10) . ?
N4 N5 1.309(9) . ?
N4 C41 1.359(10) . ?
N5 N6 1.344(9) . ?
N6 C46 1.337(10) . ?
C1 C2 1.493(10) . ?
C1 Dy2 2.979(7) 2_765 ?
C2 C3 1.446(15) . ?
C2 C4 1.533(15) . ?
C5 C6 1.418(11) . ?
C6 C7 1.444(8) . ?
C6 C8 1.462(5) . ?
C9 C10 1.516(13) . ?
C10 C12 1.429(19) . ?
C10 C11 1.487(19) . ?
C13 C14 1.381(15) . ?
C14 C16 1.479(5) . ?
C14 C15 1.486(5) . ?
C17 C18 1.481(10) . ?
C18 C20 1.503(15) . ?
C18 C19 1.529(13) . ?
C21 C22 1.501(11) . ?
C22 C24 1.441(17) . ?
C22 C23 1.565(17) . ?
C25 C26 1.518(10) . ?
C26 C27 1.496(14) . ?
C26 C28 1.518(12) . ?
C29 C30 1.481(12) . ?
C29 Dy3 2.930(7) 2_676 ?
C30 C31 1.380(19) . ?
C30 C32 1.413(18) . ?
C33 C34 1.502(12) . ?
C34 C36 1.479(15) . ?
C34 C35 1.484(14) . ?
C37 C38 1.483(16) . ?
C38 C39 1.387(19) . ?
C38 C40 1.56(2) . ?
C41 C46 1.396(10) . ?
C41 C42 1.398(11) . ?
C42 C43 1.361(12) . ?
C43 C44 1.399(13) . ?
C44 C45 1.360(12) . ?
C45 C46 1.396(11) . ?
C47 C52 1.379(10) . ?
C47 C48 1.397(11) . ?
C48 C49 1.372(12) . ?
C49 C50 1.408(13) . ?
C50 C51 1.356(12) . ?
C51 C52 1.389(11) . ?

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
O4 Dy2 O3 148.26(18) . . ?
O4 Dy2 O6 134.30(17) . . ?
O3 Dy2 O6 77.19(16) . . ?
O4 Dy2 O2 76.08(17) . . ?
O3 Dy2 O2 78.32(16) . . ?
O6 Dy2 O2 141.15(16) . . ?
O4 Dy2 O1 78.35(19) . 2_765 ?
O3 Dy2 O1 116.94(16) . 2_765 ?
O6 Dy2 O1 81.43(17) . 2_765 ?
O2 Dy2 O1 83.38(16) . 2_765 ?
O4 Dy2 O8 89.4(2) . . ?
O3 Dy2 O8 95.23(17) . . ?
O6 Dy2 O8 77.84(18) . . ?
O2 Dy2 O8 134.23(17) . . ?
O1 Dy2 O8 136.41(16) 2_765 . ?
O4 Dy2 O9 77.1(2) . . ?
O3 Dy2 O9 80.99(18) . . ?
O6 Dy2 O9 122.90(18) . . ?
O2 Dy2 O9 81.89(17) . . ?
O1 Dy2 O9 153.81(18) 2_765 . ?
O8 Dy2 O9 52.44(17) . . ?
O4 Dy2 O7 83.63(17) . . ?
O3 Dy2 O7 127.10(15) . . ?
O6 Dy2 O7 50.83(14) . . ?
O2 Dy2 O7 148.80(15) . . ?
O1 Dy2 O7 69.32(14) 2_765 . ?
O8 Dy2 O7 67.80(16) . . ?
O9 Dy2 O7 116.60(15) . . ?
O4 Dy2 O3 120.31(18) . 2_765 ?
O3 Dy2 O3 67.82(18) . 2_765 ?
O6 Dy2 O3 70.75(16) . 2_765 ?
O2 Dy2 O3 72.26(15) . 2_765 ?
O1 Dy2 O3 49.12(14) 2_765 2_765 ?
O8 Dy2 O3 146.78(17) . 2_765 ?
O9 Dy2 O3 142.58(15) . 2_765 ?
O7 Dy2 O3 98.98(13) . 2_765 ?
O4 Dy2 C9 82.1(2) . . ?
O3 Dy2 C9 88.4(2) . . ?
O6 Dy2 C9 100.8(2) . . ?
O2 Dy2 C9 108.2(2) . . ?
O1 Dy2 C9 154.2(2) 2_765 . ?
O8 Dy2 C9 26.1(2) . . ?
O9 Dy2 C9 26.4(2) . . ?
O7 Dy2 C9 91.9(2) . . ?
O3 Dy2 C9 155.9(2) 2_765 . ?
O4 Dy2 C17 109.35(19) . . ?
O3 Dy2 C17 101.73(18) . . ?
O6 Dy2 C17 25.11(17) . . ?
O2 Dy2 C17 155.48(18) . . ?
O1 Dy2 C17 74.71(18) 2_765 . ?
O8 Dy2 C17 70.29(18) . . ?
O9 Dy2 C17 122.53(18) . . ?
O7 Dy2 C17 25.75(16) . . ?
O3 Dy2 C17 84.95(16) 2_765 . ?
C9 Dy2 C17 96.3(2) . . ?
O4 Dy2 C1 99.4(2) . 2_765 ?
O3 Dy2 C1 92.94(18) . 2_765 ?
O6 Dy2 C1 74.36(18) . 2_765 ?
O2 Dy2 C1 77.30(17) . 2_765 ?
O1 Dy2 C1 24.00(16) 2_765 2_765 ?
O8 Dy2 C1 148.44(18) . 2_765 ?
O9 Dy2 C1 159.11(17) . 2_765 ?
O7 Dy2 C1 83.01(16) . 2_765 ?
O3 Dy2 C1 25.14(15) 2_765 2_765 ?
C9 Dy2 C1 174.5(2) . 2_765 ?
C17 Dy2 C1 78.21(18) . 2_765 ?
O14 Dy1 O5 158.8(2) . . ?
O14 Dy1 O10 101.2(2) . . ?
O5 Dy1 O10 87.4(2) . . ?
O14 Dy1 O12 125.7(2) . . ?
O5 Dy1 O12 74.6(2) . . ?
O10 Dy1 O12 80.4(2) . . ?
O14 Dy1 O16 83.11(17) . . ?
O5 Dy1 O16 98.12(18) . . ?
O10 Dy1 O16 152.89(17) . . ?
O12 Dy1 O16 75.63(19) . . ?
O14 Dy1 O11 85.1(2) . . ?
O5 Dy1 O11 75.5(2) . . ?
O10 Dy1 O11 136.03(17) . . ?
O12 Dy1 O11 130.5(2) . . ?
O16 Dy1 O11 70.70(17) . . ?
O14 Dy1 O7 84.02(16) . . ?
O5 Dy1 O7 81.36(17) . . ?
O10 Dy1 O7 67.72(16) . . ?
O12 Dy1 O7 140.68(18) . . ?
O16 Dy1 O7 139.28(16) . . ?
O11 Dy1 O7 69.82(17) . . ?
O14 Dy1 O13 77.8(2) . . ?
O5 Dy1 O13 123.4(2) . . ?
O10 Dy1 O13 68.44(17) . . ?
O12 Dy1 O13 52.0(2) . . ?
O16 Dy1 O13 86.72(18) . . ?
O11 Dy1 O13 153.19(17) . . ?
O7 Dy1 O13 127.62(18) . . ?
O14 Dy1 C13 102.2(3) . . ?
O5 Dy1 C13 98.9(3) . . ?
O10 Dy1 C13 72.3(3) . . ?
O12 Dy1 C13 25.9(3) . . ?
O16 Dy1 C13 80.6(2) . . ?
O11 Dy1 C13 149.4(3) . . ?
O7 Dy1 C13 140.0(2) . . ?
O13 Dy1 C13 26.1(3) . . ?
O15 Dy3 O20 152.02(18) . . ?
O15 Dy3 O21 81.98(16) . . ?
O20 Dy3 O21 79.08(16) . . ?
O15 Dy3 O17 129.95(16) . . ?
O20 Dy3 O17 76.25(16) . . ?
O21 Dy3 O17 141.55(15) . . ?
O15 Dy3 O22 80.54(18) . 2_676 ?
O20 Dy3 O22 116.43(17) . 2_676 ?
O21 Dy3 O22 81.54(18) . 2_676 ?
O17 Dy3 O22 83.59(18) . 2_676 ?
O15 Dy3 O18 87.79(17) . . ?
O20 Dy3 O18 88.45(17) . . ?
O21 Dy3 O18 129.31(17) . . ?
O17 Dy3 O18 79.09(17) . . ?
O22 Dy3 O18 145.20(17) 2_676 . ?
O15 Dy3 O19 75.47(18) . . ?
O20 Dy3 O19 80.42(18) . . ?
O21 Dy3 O19 77.41(17) . . ?
O17 Dy3 O19 125.93(18) . . ?
O22 Dy3 O19 149.91(18) 2_676 . ?
O18 Dy3 O19 52.01(16) . . ?
O15 Dy3 O16 78.73(15) . . ?
O20 Dy3 O16 125.36(16) . . ?
O21 Dy3 O16 152.52(16) . . ?
O17 Dy3 O16 51.37(14) . . ?
O22 Dy3 O16 76.16(16) 2_676 . ?
O18 Dy3 O16 69.42(15) . . ?
O19 Dy3 O16 115.80(15) . . ?
O15 Dy3 O20 125.95(16) . 2_676 ?
O20 Dy3 O20 67.04(19) . 2_676 ?
O21 Dy3 O20 72.92(15) . 2_676 ?
O17 Dy3 O20 70.47(15) . 2_676 ?
O22 Dy3 O20 49.40(15) 2_676 2_676 ?
O18 Dy3 O20 144.39(16) . 2_676 ?
O19 Dy3 O20 139.18(15) . 2_676 ?
O16 Dy3 O20 103.23(14) . 2_676 ?
O15 Dy3 C33 80.5(2) . . ?
O20 Dy3 C33 84.1(2) . . ?
O21 Dy3 C33 103.5(2) . . ?
O17 Dy3 C33 102.8(2) . . ?
O22 Dy3 C33 159.48(19) 2_676 . ?
O18 Dy3 C33 25.93(19) . . ?
O19 Dy3 C33 26.08(19) . . ?
O16 Dy3 C33 92.49(19) . . ?
O20 Dy3 C33 151.11(18) 2_676 . ?
O15 Dy3 C21 104.69(19) . . ?
O20 Dy3 C21 100.44(19) . . ?
O21 Dy3 C21 158.41(19) . . ?
O17 Dy3 C21 25.39(18) . . ?
O22 Dy3 C21 79.4(2) 2_676 . ?
O18 Dy3 C21 71.99(19) . . ?
O19 Dy3 C21 124.00(19) . . ?
O16 Dy3 C21 25.99(17) . . ?
O20 Dy3 C21 86.92(17) 2_676 . ?
C33 Dy3 C21 97.9(2) . . ?
O15 Dy3 C29 102.5(2) . 2_676 ?
O20 Dy3 C29 92.40(19) . 2_676 ?
O21 Dy3 C29 75.17(19) . 2_676 ?
O17 Dy3 C29 76.9(2) . 2_676 ?
O22 Dy3 C29 24.03(17) 2_676 2_676 ?
O18 Dy3 C29 155.01(19) . 2_676 ?
O19 Dy3 C29 152.51(19) . 2_676 ?
O16 Dy3 C29 90.06(18) . 2_676 ?
O20 Dy3 C29 25.40(17) 2_676 2_676 ?
C33 Dy3 C29 176.4(2) . 2_676 ?
C21 Dy3 C29 83.3(2) . 2_676 ?
C1 O1 Dy2 104.4(4) . 2_765 ?
C1 O3 Dy2 160.6(5) . . ?
C1 O3 Dy2 87.1(4) . 2_765 ?
Dy2 O3 Dy2 112.18(18) . 2_765 ?
C5 O4 Dy2 136.1(6) . . ?
C5 O5 Dy1 139.5(6) . . ?
C17 O6 Dy2 102.8(4) . . ?
C17 O7 Dy1 147.5(4) . . ?
C17 O7 Dy2 87.5(4) . . ?
Dy1 O7 Dy2 124.00(17) . . ?
C9 O8 Dy2 94.4(5) . . ?
C9 O9 Dy2 92.7(5) . . ?
C13 O12 Dy1 97.3(6) . . ?
C13 O13 Dy1 88.5(6) . . ?
C25 O14 Dy1 142.8(5) . . ?
C25 O15 Dy3 143.0(5) . . ?
C21 O16 Dy1 138.1(4) . . ?
C21 O16 Dy3 88.3(4) . . ?
Dy1 O16 Dy3 130.44(19) . . ?
C21 O17 Dy3 101.1(4) . . ?
C33 O18 Dy3 95.8(4) . . ?
C33 O19 Dy3 92.0(4) . . ?
C29 O20 Dy3 160.6(5) . . ?
C29 O20 Dy3 86.1(4) . 2_676 ?
Dy3 O20 Dy3 112.96(18) . 2_676 ?
C29 O22 Dy3 103.8(4) . 2_676 ?
N2 N1 C47 108.4(6) . . ?
N1 N2 N3 108.1(7) . . ?
N2 N3 C52 111.0(6) . . ?
N5 N4 C41 109.1(6) . . ?
N4 N5 N6 107.4(6) . . ?
C46 N6 N5 111.6(6) . . ?
O1 C1 O3 119.3(6) . . ?
O1 C1 C2 121.2(6) . . ?
O3 C1 C2 119.5(6) . . ?
O1 C1 Dy2 51.6(3) . 2_765 ?
O3 C1 Dy2 67.8(4) . 2_765 ?
C2 C1 Dy2 172.4(5) . 2_765 ?
C3 C2 C1 115.0(9) . . ?
C3 C2 C4 95.1(8) . . ?
C1 C2 C4 108.3(8) . . ?
O5 C5 O4 122.7(8) . . ?
O5 C5 C6 117.7(7) . . ?
O4 C5 C6 119.1(7) . . ?
C5 C6 C7 122.3(7) . . ?
C5 C6 C8 116.9(8) . . ?
C7 C6 C8 105.8(6) . . ?
O8 C9 O9 120.4(7) . . ?
O8 C9 C10 121.4(8) . . ?
O9 C9 C10 118.3(8) . . ?
O8 C9 Dy2 59.5(4) . . ?
O9 C9 Dy2 60.9(4) . . ?
C10 C9 Dy2 177.3(8) . . ?
C12 C10 C11 115.4(13) . . ?
C12 C10 C9 112.4(12) . . ?
C11 C10 C9 109.2(11) . . ?
O13 C13 O12 122.1(10) . . ?
O13 C13 C14 127.0(13) . . ?
O12 C13 C14 110.2(12) . . ?
O13 C13 Dy1 65.4(5) . . ?
O12 C13 Dy1 56.7(5) . . ?
C14 C13 Dy1 165.4(11) . . ?
C13 C14 C16 125.7(14) . . ?
C13 C14 C15 117.8(12) . . ?
C16 C14 C15 96.9(4) . . ?
O7 C17 O6 118.8(6) . . ?
O7 C17 C18 122.1(6) . . ?
O6 C17 C18 119.1(6) . . ?
O7 C17 Dy2 66.8(3) . . ?
O6 C17 Dy2 52.1(3) . . ?
C18 C17 Dy2 171.0(5) . . ?
C17 C18 C20 107.8(8) . . ?
C17 C18 C19 112.4(7) . . ?
C20 C18 C19 111.0(9) . . ?
O17 C21 O16 119.2(6) . . ?
O17 C21 C22 118.1(7) . . ?
O16 C21 C22 122.7(6) . . ?
O17 C21 Dy3 53.5(3) . . ?
O16 C21 Dy3 65.8(3) . . ?
C22 C21 Dy3 171.0(6) . . ?
C24 C22 C21 113.5(10) . . ?
C24 C22 C23 112.1(11) . . ?
C21 C22 C23 103.8(9) . . ?
O15 C25 O14 124.2(6) . . ?
O15 C25 C26 119.0(6) . . ?
O14 C25 C26 116.8(6) . . ?
C27 C26 C25 108.7(7) . . ?
C27 C26 C28 112.6(8) . . ?
C25 C26 C28 113.7(7) . . ?
O22 C29 O20 120.6(7) . . ?
O22 C29 C30 121.2(7) . . ?
O20 C29 C30 118.2(7) . . ?
O22 C29 Dy3 52.2(4) . 2_676 ?
O20 C29 Dy3 68.5(4) . 2_676 ?
C30 C29 Dy3 173.3(6) . 2_676 ?
C31 C30 C32 109.0(15) . . ?
C31 C30 C29 116.4(12) . . ?
C32 C30 C29 113.9(11) . . ?
O18 C33 O19 120.2(7) . . ?
O18 C33 C34 121.9(8) . . ?
O19 C33 C34 117.8(8) . . ?
O18 C33 Dy3 58.3(4) . . ?
O19 C33 Dy3 61.9(4) . . ?
C34 C33 Dy3 177.7(6) . . ?
C36 C34 C35 118.9(10) . . ?
C36 C34 C33 111.2(9) . . ?
C35 C34 C33 114.1(9) . . ?
O24 C37 O23 119.4(11) . . ?
O24 C37 C38 123.4(13) . . ?
O23 C37 C38 115.8(11) . . ?
C39 C38 C37 114.7(13) . . ?
C39 C38 C40 105.7(15) . . ?
C37 C38 C40 108.3(13) . . ?
N4 C41 C46 107.9(7) . . ?
N4 C41 C42 131.6(7) . . ?
C46 C41 C42 120.5(8) . . ?
C43 C42 C41 116.8(8) . . ?
C42 C43 C44 122.5(9) . . ?
C45 C44 C43 121.6(9) . . ?
C44 C45 C46 116.6(8) . . ?
N6 C46 C45 134.1(7) . . ?
N6 C46 C41 104.0(7) . . ?
C45 C46 C41 121.9(8) . . ?
N1 C47 C52 108.6(7) . . ?
N1 C47 C48 130.6(7) . . ?
C52 C47 C48 120.8(8) . . ?
C49 C48 C47 116.8(8) . . ?
C48 C49 C50 121.3(9) . . ?
C51 C50 C49 122.3(9) . . ?
C50 C51 C52 116.1(8) . . ?
N3 C52 C47 103.8(7) . . ?
N3 C52 C51 133.5(7) . . ?
C47 C52 C51 122.7(8) . . ?

_refine_diff_density_max         1.646
_refine_diff_density_min         -2.833
_refine_diff_density_rms         0.120

_shelxl_version_number           2014-3


_vrf_THETM01_2                   
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.575
            Calculated sin(theta_max)/wavelength =    0.5731 
RESPONSE:  A full set of data was collected, however the very high 
          angle data was dominated by noise [I/sigma(I) < 1.0] and 
          was omitted. This arbitrary theta limit is inappropriate 
          for highly disordered structures. A limit on data / parameter 
          ratio??s that properly takes into account the number of 
          restraints / constraints and the redundancy of the 
          measurements would be more appropriate. Unfortunately 
          the cifcheck routine does not do this.
;

_vrf_PLAT242_2                   
;
PROBLEM: 'MainMol' Ueq as Compared to Neighbors of
RESPONSE: These alerts are generated because there is a large amount 
          of disorder in the structure. In particular the disordered 
          terminal isopropyl groups are very dynamic. Short contacts 
          between disordered fragments are to be expected. 
;
####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1509701'
_audit_update_record             
;
2016-11-13 deposited with the CCDC.
2016-12-12 downloaded from the CCDC.
;
_audit_creation_date             2016-11-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.5(C64 H130 Dy6 O42), 2(C6 H5 N3)'
_chemical_formula_sum            'C44 H75 Dy3 N6 O21'
_chemical_formula_weight         1511.60
_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'
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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
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'
'-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                   31.340(8)
_cell_length_b                   13.874(3)
_cell_length_c                   20.741(10)
_cell_angle_alpha                90
_cell_angle_beta                 129.133(2)
_cell_angle_gamma                90
_cell_volume                     6996(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5286
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.166
_cell_measurement_theta_min      2.462
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.234
_exptl_absorpt_correction_T_max  0.851
_exptl_absorpt_correction_T_min  0.610
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.435
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2988
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0442
_diffrn_reflns_av_unetI/netI     0.0562
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            23827
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.658
_diffrn_reflns_theta_min         1.675
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5432
_reflns_number_total             8080
_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 v8.27A (Bruker, 2012)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_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    ?
_refine_diff_density_max         1.118
_refine_diff_density_min         -0.846
_refine_diff_density_rms         0.105
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     323
_refine_ls_number_reflns         8080
_refine_ls_number_restraints     400
_refine_ls_R_factor_all          0.0700
_refine_ls_R_factor_gt           0.0378
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0447P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0874
_refine_ls_wR_factor_ref         0.0987
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups, All O(H) groups, All O(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 C2, C3
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C6) \\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C7) \\sim
Ueq, Uanis(C8) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of
0.005
Uanis(C14) = Uanis(C15)
Uanis(C2) = Uanis(C3)
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Fixed Sof: H2(0.5)
6.a Riding coordinates:
 O1(H1A,H1B), O2(H2), O9(H9A,H9B)
6.b Ternary CH refined with riding coordinates:
 C2(H2A), C6(H6), C10(H10), C14(H14)
6.c Me refined with riding coordinates:
 C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C11(H11A,
 H11B,H11C), C12(H12C,H12A,H12B), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C)
6.d Aromatic/amide H refined with riding coordinates:
 N2(H2B), C18(H18), C19(H19), C20(H20), C21(H21)
;
_atom_sites_solution_hydrogens   mixed
_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 1.0000 0.32361(3) 0.2500 0.04897(11) Uani 1 2 d S TU P . .
Dy2 Dy 0.82564(2) 0.25050(2) 0.12020(2) 0.03783(8) Uani 1 1 d . U . . .
O1 O 0.94225(14) 0.4608(3) 0.1838(2) 0.0782(13) Uani 1 1 d . U . . .
H1A H 0.9079 0.4700 0.1557 0.094 Uiso 1 1 d R . . . .
H1B H 0.9536 0.4952 0.1634 0.094 Uiso 1 1 d R . . . .
O2 O 1.0000 0.1556(4) 0.2500 0.0804(19) Uani 1 2 d S TU P . .
H2 H 0.9702 0.1250 0.2155 0.097 Uiso 0.5 1 d R . . . .
O3 O 0.96989(15) 0.3251(3) 0.3222(2) 0.0757(12) Uani 1 1 d . U . . .
O4 O 0.88039(14) 0.3309(3) 0.2441(2) 0.0642(10) Uani 1 1 d . U . . .
O5 O 0.91402(13) 0.2743(3) 0.1303(2) 0.0498(9) Uani 1 1 d . U . . .
O6 O 0.83899(13) 0.2060(3) 0.0231(2) 0.0534(9) Uani 1 1 d . U . . .
O7 O 0.88952(15) 0.1180(3) 0.1924(2) 0.0665(10) Uani 1 1 d . U . . .
O8 O 0.83187(15) 0.1372(3) 0.2155(2) 0.0631(10) Uani 1 1 d . U . . .
O9 O 0.76068(12) 0.3154(2) 0.12968(19) 0.0487(8) Uani 1 1 d . U . . .
H9A H 0.7606 0.3677 0.1510 0.058 Uiso 1 1 d R . . . .
H9B H 0.7295 0.3091 0.0819 0.058 Uiso 1 1 d R . . . .
O10 O 0.74861(13) 0.1558(2) 0.0231(2) 0.0460(8) Uani 1 1 d . U . . .
O11 O 0.67150(12) 0.0881(2) -0.0784(2) 0.0494(8) Uani 1 1 d . U . . .
N1 N 0.7608(2) 0.4855(4) 0.1994(3) 0.0744(14) Uani 1 1 d . U . . .
N2 N 0.7250(2) 0.5896(4) 0.2291(3) 0.0684(13) Uani 1 1 d . U . . .
H2B H 0.7049 0.6135 0.2400 0.082 Uiso 1 1 calc R . . . .
N3 N 0.7267(2) 0.4958(4) 0.2156(4) 0.0797(15) Uani 1 1 d . U . . .
C1 C 0.8870(2) 0.2358(4) 0.0585(3) 0.0494(13) Uani 1 1 d . U . . .
C2 C 0.9115(4) 0.2307(6) 0.0153(5) 0.1028(18) Uani 1 1 d . U . . .
H2A H 0.9517 0.2289 0.0570 0.123 Uiso 1 1 calc R . . . .
C3 C 0.8930(3) 0.1492(6) -0.0398(5) 0.1028(18) Uani 1 1 d . U . . .
H3A H 0.9102 0.1505 -0.0651 0.154 Uiso 1 1 calc R . . . .
H3B H 0.9027 0.0906 -0.0087 0.154 Uiso 1 1 calc R . . . .
H3C H 0.8538 0.1522 -0.0822 0.154 Uiso 1 1 calc R . . . .
C4 C 0.8933(4) 0.3290(7) -0.0350(6) 0.142(3) Uani 1 1 d . U . . .
H4A H 0.9059 0.3822 0.0027 0.212 Uiso 1 1 calc R . . . .
H4B H 0.9089 0.3331 -0.0624 0.212 Uiso 1 1 calc R . . . .
H4C H 0.8539 0.3312 -0.0756 0.212 Uiso 1 1 calc R . . . .
C5 C 0.9268(2) 0.3424(4) 0.3112(3) 0.0557(14) Uani 1 1 d . U . . .
C6 C 0.9330(4) 0.3725(7) 0.3867(5) 0.117(3) Uani 1 1 d . U . . .
H6 H 0.9651 0.3409 0.4365 0.141 Uiso 1 1 calc R . . . .
C7 C 0.9428(6) 0.4769(10) 0.3906(8) 0.221(5) Uani 1 1 d . U . . .
H7A H 0.9744 0.4880 0.3940 0.332 Uiso 1 1 calc R . . . .
H7B H 0.9112 0.5073 0.3416 0.332 Uiso 1 1 calc R . . . .
H7C H 0.9493 0.5034 0.4389 0.332 Uiso 1 1 calc R . . . .
C8 C 0.8859(5) 0.3581(9) 0.3818(7) 0.181(4) Uani 1 1 d . U . . .
H8A H 0.8788 0.2903 0.3792 0.271 Uiso 1 1 calc R . . . .
H8B H 0.8926 0.3852 0.4301 0.271 Uiso 1 1 calc R . . . .
H8C H 0.8546 0.3891 0.3328 0.271 Uiso 1 1 calc R . . . .
C9 C 0.8726(2) 0.0951(4) 0.2322(3) 0.0621(15) Uani 1 1 d . U . . .
C10 C 0.9019(3) 0.0186(6) 0.2993(5) 0.101(2) Uani 1 1 d . U . . .
H10 H 0.8741 -0.0130 0.2996 0.121 Uiso 1 1 calc R . . . .
C11 C 0.9415(4) 0.0659(8) 0.3814(5) 0.161(4) Uani 1 1 d . U . . .
H11A H 0.9227 0.1134 0.3888 0.242 Uiso 1 1 calc R . . . .
H11B H 0.9575 0.0184 0.4246 0.242 Uiso 1 1 calc R . . . .
H11C H 0.9700 0.0964 0.3839 0.242 Uiso 1 1 calc R . . . .
C12 C 0.9266(4) -0.0578(7) 0.2804(7) 0.160(4) Uani 1 1 d . U . . .
H12C H 0.8985 -0.0848 0.2265 0.239 Uiso 1 1 calc R . . . .
H12A H 0.9548 -0.0298 0.2809 0.239 Uiso 1 1 calc R . . . .
H12B H 0.9423 -0.1077 0.3216 0.239 Uiso 1 1 calc R . . . .
C13 C 0.71671(19) 0.0832(4) -0.0065(3) 0.0418(11) Uani 1 1 d . U . . .
C14 C 0.7349(3) -0.0073(5) 0.0444(5) 0.0960(16) Uani 1 1 d . U . . .
H14 H 0.7537 0.0102 0.1025 0.115 Uiso 1 1 calc R . . . .
C15 C 0.6899(3) -0.0757(5) 0.0167(4) 0.0960(16) Uani 1 1 d . U . . .
H15A H 0.7048 -0.1313 0.0521 0.144 Uiso 1 1 calc R . . . .
H15B H 0.6637 -0.0449 0.0194 0.144 Uiso 1 1 calc R . . . .
H15C H 0.6721 -0.0951 -0.0395 0.144 Uiso 1 1 calc R . . . .
C16 C 0.7768(4) -0.0581(6) 0.0387(5) 0.126(3) Uani 1 1 d . U . . .
H16A H 0.8062 -0.0145 0.0566 0.188 Uiso 1 1 calc R . . . .
H16B H 0.7915 -0.1141 0.0738 0.188 Uiso 1 1 calc R . . . .
H16C H 0.7585 -0.0772 -0.0177 0.188 Uiso 1 1 calc R . . . .
C17 C 0.7820(2) 0.5752(5) 0.2051(3) 0.0623(14) Uani 1 1 d . U . . .
C18 C 0.8208(3) 0.6033(5) 0.1959(4) 0.086(2) Uani 1 1 d . U . . .
H18 H 0.8370 0.5586 0.1839 0.103 Uiso 1 1 calc R . . . .
C19 C 0.8337(3) 0.6976(6) 0.2051(5) 0.100(2) Uani 1 1 d . U . . .
H19 H 0.8595 0.7182 0.1997 0.120 Uiso 1 1 calc R . . . .
C20 C 0.8094(4) 0.7649(5) 0.2228(5) 0.094(2) Uani 1 1 d . U . . .
H20 H 0.8191 0.8294 0.2280 0.112 Uiso 1 1 calc R . . . .
C21 C 0.7721(3) 0.7398(5) 0.2325(4) 0.0768(18) Uani 1 1 d . U . . .
H21 H 0.7563 0.7852 0.2446 0.092 Uiso 1 1 calc R . . . .
C22 C 0.7584(2) 0.6411(4) 0.2234(3) 0.0583(14) Uani 1 1 d . 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 O1 2.376(4) 2_755 ?
Dy1 O1 2.376(4) . ?
Dy1 O2 2.330(6) . ?
Dy1 O3 2.218(4) 2_755 ?
Dy1 O3 2.218(4) . ?
Dy1 O5 2.334(3) 2_755 ?
Dy1 O5 2.334(3) . ?
Dy2 O4 2.286(4) . ?
Dy2 O5 2.663(3) . ?
Dy2 O6 2.382(3) . ?
Dy2 O7 2.418(4) . ?
Dy2 O8 2.435(4) . ?
Dy2 O9 2.345(3) . ?
Dy2 O10 2.685(3) 7_655 ?
Dy2 O10 2.340(3) . ?
Dy2 O11 2.423(3) 7_655 ?
Dy2 C1 2.914(5) . ?
Dy2 C9 2.810(6) . ?
Dy2 C13 2.949(5) 7_655 ?
O3 C5 1.242(6) . ?
O4 C5 1.235(6) . ?
O5 C1 1.277(6) . ?
O6 C1 1.258(6) . ?
O7 C9 1.271(6) . ?
O8 C9 1.237(6) . ?
O10 Dy2 2.685(3) 7_655 ?
O10 C13 1.271(5) . ?
O11 Dy2 2.423(3) 7_655 ?
O11 C13 1.253(5) . ?
N1 N3 1.313(6) . ?
N1 C17 1.379(7) . ?
N2 N3 1.339(6) . ?
N2 C22 1.335(7) . ?
C1 C2 1.503(8) . ?
C2 C3 1.444(10) . ?
C2 C4 1.588(12) . ?
C5 C6 1.511(9) . ?
C6 C7 1.472(14) . ?
C6 C8 1.428(12) . ?
C9 C10 1.515(8) . ?
C10 C11 1.485(11) . ?
C10 C12 1.504(11) . ?
C13 Dy2 2.949(5) 7_655 ?
C13 C14 1.502(8) . ?
C14 C15 1.482(8) . ?
C14 C16 1.558(10) . ?
C17 C18 1.400(8) . ?
C17 C22 1.371(7) . ?
C18 C19 1.347(10) . ?
C19 C20 1.394(10) . ?
C20 C21 1.349(10) . ?
C21 C22 1.410(8) . ?

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 O1 73.57(18) 2_755 . ?
O2 Dy1 O1 143.22(9) . 2_755 ?
O2 Dy1 O1 143.22(9) . . ?
O2 Dy1 O5 72.95(9) . . ?
O2 Dy1 O5 72.95(9) . 2_755 ?
O3 Dy1 O1 83.65(15) . . ?
O3 Dy1 O1 95.48(16) 2_755 . ?
O3 Dy1 O1 83.65(15) 2_755 2_755 ?
O3 Dy1 O1 95.48(16) . 2_755 ?
O3 Dy1 O2 90.54(12) 2_755 . ?
O3 Dy1 O2 90.54(12) . . ?
O3 Dy1 O3 178.9(2) . 2_755 ?
O3 Dy1 O5 91.33(13) . . ?
O3 Dy1 O5 88.99(13) 2_755 . ?
O3 Dy1 O5 88.99(13) . 2_755 ?
O3 Dy1 O5 91.32(13) 2_755 2_755 ?
O5 Dy1 O1 70.92(13) . . ?
O5 Dy1 O1 70.92(13) 2_755 2_755 ?
O5 Dy1 O1 142.80(13) 2_755 . ?
O5 Dy1 O1 142.80(13) . 2_755 ?
O5 Dy1 O5 145.91(18) . 2_755 ?
O4 Dy2 O5 81.09(12) . . ?
O4 Dy2 O6 131.98(12) . . ?
O4 Dy2 O7 86.22(14) . . ?
O4 Dy2 O8 77.53(14) . . ?
O4 Dy2 O9 78.11(12) . . ?
O4 Dy2 O10 121.27(13) . 7_655 ?
O4 Dy2 O10 151.22(13) . . ?
O4 Dy2 O11 77.30(13) . 7_655 ?
O4 Dy2 C1 107.01(14) . . ?
O4 Dy2 C9 79.35(15) . . ?
O4 Dy2 C13 99.02(14) . 7_655 ?
O5 Dy2 O10 99.16(10) . 7_655 ?
O5 Dy2 C1 25.98(12) . . ?
O5 Dy2 C9 93.10(15) . . ?
O5 Dy2 C13 83.50(12) . 7_655 ?
O6 Dy2 O5 50.95(10) . . ?
O6 Dy2 O7 78.95(13) . . ?
O6 Dy2 O8 123.51(13) . . ?
O6 Dy2 O10 71.44(12) . 7_655 ?
O6 Dy2 O11 82.59(13) . 7_655 ?
O6 Dy2 C1 24.98(12) . . ?
O6 Dy2 C9 102.74(16) . . ?
O6 Dy2 C13 75.93(13) . 7_655 ?
O7 Dy2 O5 68.41(12) . . ?
O7 Dy2 O8 52.80(13) . . ?
O7 Dy2 O10 148.69(12) . 7_655 ?
O7 Dy2 O11 136.15(12) . 7_655 ?
O7 Dy2 C1 72.59(14) . . ?
O7 Dy2 C9 26.83(14) . . ?
O7 Dy2 C13 150.35(13) . 7_655 ?
O8 Dy2 O5 118.00(12) . . ?
O8 Dy2 O10 141.31(11) . 7_655 ?
O8 Dy2 C1 125.07(14) . . ?
O8 Dy2 C9 26.06(14) . . ?
O8 Dy2 C13 156.83(13) . 7_655 ?
O9 Dy2 O5 149.38(11) . . ?
O9 Dy2 O6 142.68(11) . . ?
O9 Dy2 O7 131.54(13) . . ?
O9 Dy2 O8 78.98(12) . . ?
O9 Dy2 O10 73.44(11) . 7_655 ?
O9 Dy2 O11 84.57(12) . 7_655 ?
O9 Dy2 C1 155.86(13) . . ?
O9 Dy2 C9 104.75(16) . . ?
O9 Dy2 C13 77.90(12) . 7_655 ?
O10 Dy2 O5 126.47(11) . . ?
O10 Dy2 O6 76.30(12) . . ?
O10 Dy2 O7 96.16(13) . . ?
O10 Dy2 O8 81.17(13) . . ?
O10 Dy2 O9 79.00(11) . . ?
O10 Dy2 O10 67.45(13) . 7_655 ?
O10 Dy2 O11 117.52(11) . 7_655 ?
O10 Dy2 C1 84.20(13) 7_655 . ?
O10 Dy2 C1 101.02(13) . . ?
O10 Dy2 C9 157.30(14) 7_655 . ?
O10 Dy2 C9 89.90(14) . . ?
O10 Dy2 C13 25.52(10) 7_655 7_655 ?
O10 Dy2 C13 92.97(13) . 7_655 ?
O11 Dy2 O5 69.03(11) 7_655 . ?
O11 Dy2 O8 152.25(12) 7_655 . ?
O11 Dy2 O10 50.09(10) 7_655 7_655 ?
O11 Dy2 C1 73.96(13) 7_655 . ?
O11 Dy2 C9 152.44(14) 7_655 . ?
O11 Dy2 C13 24.56(11) 7_655 7_655 ?
C1 Dy2 C13 78.00(14) . 7_655 ?
C9 Dy2 C1 99.39(17) . . ?
C9 Dy2 C13 176.44(15) . 7_655 ?
C5 O3 Dy1 139.0(4) . . ?
C5 O4 Dy2 147.7(4) . . ?
Dy1 O5 Dy2 124.44(14) . . ?
C1 O5 Dy1 146.5(3) . . ?
C1 O5 Dy2 88.1(3) . . ?
C1 O6 Dy2 101.9(3) . . ?
C9 O7 Dy2 94.0(3) . . ?
C9 O8 Dy2 94.1(3) . . ?
Dy2 O10 Dy2 112.55(13) . 7_655 ?
C13 O10 Dy2 88.9(3) . 7_655 ?
C13 O10 Dy2 158.5(3) . . ?
C13 O11 Dy2 101.9(3) . 7_655 ?
N3 N1 C17 107.8(5) . . ?
C22 N2 N3 111.4(5) . . ?
N1 N3 N2 107.8(5) . . ?
O5 C1 Dy2 66.0(3) . . ?
O5 C1 C2 120.2(5) . . ?
O6 C1 Dy2 53.1(2) . . ?
O6 C1 O5 119.0(5) . . ?
O6 C1 C2 120.7(5) . . ?
C2 C1 Dy2 172.3(5) . . ?
C1 C2 C4 104.0(6) . . ?
C3 C2 C1 114.0(7) . . ?
C3 C2 C4 110.8(8) . . ?
O3 C5 C6 116.7(5) . . ?
O4 C5 O3 123.6(5) . . ?
O4 C5 C6 119.5(5) . . ?
C7 C6 C5 102.4(9) . . ?
C8 C6 C5 115.9(8) . . ?
C8 C6 C7 108.2(10) . . ?
O7 C9 Dy2 59.1(3) . . ?
O7 C9 C10 120.8(6) . . ?
O8 C9 Dy2 59.8(3) . . ?
O8 C9 O7 118.7(5) . . ?
O8 C9 C10 120.5(6) . . ?
C10 C9 Dy2 174.3(5) . . ?
C11 C10 C9 109.1(7) . . ?
C11 C10 C12 114.5(7) . . ?
C12 C10 C9 111.6(7) . . ?
O10 C13 Dy2 65.5(2) . 7_655 ?
O10 C13 C14 119.3(5) . . ?
O11 C13 Dy2 53.5(2) . 7_655 ?
O11 C13 O10 119.0(4) . . ?
O11 C13 C14 121.7(5) . . ?
C14 C13 Dy2 174.7(4) . 7_655 ?
C13 C14 C16 106.9(6) . . ?
C15 C14 C13 114.6(5) . . ?
C15 C14 C16 108.7(7) . . ?
N1 C17 C18 130.7(6) . . ?
C22 C17 N1 108.1(5) . . ?
C22 C17 C18 121.1(6) . . ?
C19 C18 C17 117.5(7) . . ?
C18 C19 C20 121.4(8) . . ?
C21 C20 C19 122.4(7) . . ?
C20 C21 C22 116.7(7) . . ?
N2 C22 C17 104.8(5) . . ?
N2 C22 C21 134.3(6) . . ?
C17 C22 C21 120.9(6) . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'

_vrf_PLAT420_1                   
;
PROBLEM: D-H Without Acceptor       O1     --  H1B
RESPONSE:  The H acceptors are acturally the solvent molecules and perchlorate 
           ions. They are highly disordered and squeezed by PLATON program.
;
