# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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 1901590'
loop_
_audit_author_name
_audit_author_address
'Hongshan Ke'
;Northwest University
China
;
_audit_update_record             
;
2019-04-23 deposited with the CCDC.	2019-04-23 downloaded from the CCDC.
;
_audit_creation_date             2019-04-23
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2019.04.18 svn.r3594 for OlexSys, GUI svn.r5739)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C74 H84 Dy2 N6 O20 Zn2, 2(C3 H6 O)'
_chemical_formula_sum            'C80 H96 Dy2 N6 O22 Zn2'
_chemical_formula_weight         1949.36
_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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   13.7944(17)
_cell_length_b                   14.3871(18)
_cell_length_c                   20.258(3)
_cell_angle_alpha                90
_cell_angle_beta                 91.245(3)
_cell_angle_gamma                90
_cell_volume                     4019.5(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3169
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      23.37
_cell_measurement_theta_min      2.46
_shelx_estimated_absorpt_T_max   0.690
_shelx_estimated_absorpt_T_min   0.585
_exptl_absorpt_coefficient_mu    2.504
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4995
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.0972 before and 0.0708 after correction. The Ratio of minimum to maximum transmission is 0.6699. The λ/2 correction factor is 0.00150.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'yellowish yellow'
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1972
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0838
_diffrn_reflns_av_unetI/netI     0.0909
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            29674
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.542
_diffrn_reflns_theta_min         1.736
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.989
_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                6592
_reflns_number_total             9169
_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       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.656
_refine_diff_density_min         -2.184
_refine_diff_density_rms         0.171
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         9169
_refine_ls_number_restraints     72
_refine_ls_R_factor_all          0.0784
_refine_ls_R_factor_gt           0.0520
_refine_ls_restrained_S_all      0.999
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0695P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1254
_refine_ls_wR_factor_ref         0.1430
_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, All O(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C16) = Uanis(C16A)
Uanis(C18) = Uanis(C18A)
Uanis(C34) = Uanis(C34A)
Uanis(C17) = Uanis(C17A)
3. Rigid body (RIGU) restrains
 C33, C36, C35, C34
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C15, C17, C16, C18
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C33, C35A, C36A, C34A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C15, C17A, C16A, C18A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Sof(C36A)=Sof(H36D)=Sof(H36E)=Sof(H36F)=Sof(C34A)=Sof(H34D)=Sof(H34E)=
 Sof(H34F)=Sof(C35A)=Sof(H35D)=Sof(H35E)=Sof(H35F)=1-FVAR(1)
 Sof(C34)=Sof(H34A)=Sof(H34B)=Sof(H34C)=Sof(C35)=Sof(H35A)=Sof(H35B)=Sof(H35C)=
 Sof(C36)=Sof(H36A)=Sof(H36B)=Sof(H36C)=FVAR(1)
 Sof(C17A)=Sof(H17D)=Sof(H17E)=Sof(H17F)=Sof(C16A)=Sof(H16D)=Sof(H16E)=
 Sof(H16F)=Sof(C18A)=Sof(H18D)=Sof(H18E)=Sof(H18F)=1-FVAR(2)
 Sof(C16)=Sof(H16A)=Sof(H16B)=Sof(H16C)=Sof(C17)=Sof(H17A)=Sof(H17B)=Sof(H17C)=
 Sof(C18)=Sof(H18A)=Sof(H18B)=Sof(H18C)=FVAR(2)
5.a Riding coordinates:
 C18(H18A,H18B,H18C), O10(H10A), C34A(H34D,H34E,H34F), C17A(H17D,H17E,H17F),
 C18A(H18D,H18E,H18F)
5.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C13(H13), C22(H22),
 C23(H23), C24(H24), C26(H26), C27(H27), C28(H28), C31(H31)
5.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C19(H19A,H19B,
 H19C), C34(H34A,H34B,H34C), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C37(H37A,
 H37B,H37C), C39(H39A,H39B,H39C), C40(H40A,H40B,H40C), C36A(H36D,H36E,H36F),
 C35A(H35D,H35E,H35F), C16A(H16D,H16E,H16F)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.0509(5) -0.2670(5) 0.4778(4) 0.0430(18) Uani 1 1 d . . . . .
H1A H -0.105565 -0.274656 0.446527 0.065 Uiso 1 1 calc GR . . . .
H1B H -0.074804 -0.244102 0.519997 0.065 Uiso 1 1 calc GR . . . .
H1C H -0.018652 -0.327038 0.484633 0.065 Uiso 1 1 calc GR . . . .
C2 C 0.1471(4) -0.1751(4) 0.3823(3) 0.0228(12) Uani 1 1 d . . . . .
C3 C 0.0628(4) -0.2283(4) 0.3961(3) 0.0283(14) Uani 1 1 d . . . . .
C4 C 0.0347(4) -0.2995(5) 0.3553(3) 0.0358(15) Uani 1 1 d . . . . .
H4 H -0.022465 -0.333452 0.364715 0.043 Uiso 1 1 calc R . . . .
C5 C 0.0883(5) -0.3236(5) 0.2998(3) 0.0391(17) Uani 1 1 d . . . . .
H5 H 0.067495 -0.372439 0.271330 0.047 Uiso 1 1 calc R . . . .
C6 C 0.1707(5) -0.2755(5) 0.2877(3) 0.0359(16) Uani 1 1 d . . . . .
H6 H 0.207662 -0.291618 0.250376 0.043 Uiso 1 1 calc R . . . .
C7 C 0.2030(4) -0.2028(5) 0.3287(3) 0.0297(14) Uani 1 1 d . . . . .
C8 C 0.2956(4) -0.1620(4) 0.3141(3) 0.0280(14) Uani 1 1 d . . . . .
H8 H 0.326060 -0.185107 0.275834 0.034 Uiso 1 1 calc R . . . .
C9 C 0.6191(5) -0.0058(4) 0.2909(3) 0.0305(15) Uani 1 1 d . . . . .
H9 H 0.681816 0.015879 0.279959 0.037 Uiso 1 1 calc R . . . .
C10 C 0.5832(4) 0.0153(4) 0.3525(3) 0.0252(13) Uani 1 1 d . . . . .
H10 H 0.620340 0.052348 0.382421 0.030 Uiso 1 1 calc R . . . .
C11 C 0.4929(4) -0.0177(4) 0.3704(3) 0.0222(12) Uani 1 1 d . . . . .
C12 C 0.4369(4) -0.0689(4) 0.3248(3) 0.0239(13) Uani 1 1 d . . . . .
C13 C 0.4731(4) -0.0876(5) 0.2633(3) 0.0301(14) Uani 1 1 d . . . . .
H13 H 0.433974 -0.121574 0.232615 0.036 Uiso 1 1 calc R . . . .
C14 C 0.5662(4) -0.0581(5) 0.2441(3) 0.0286(14) Uani 1 1 d . . . . .
C15 C 0.6062(5) -0.0864(6) 0.1769(3) 0.0409(16) Uani 1 1 d . U . . .
C16 C 0.6234(11) -0.1905(10) 0.1759(7) 0.065(3) Uani 0.811(18) 1 d . U P A 1
H16A H 0.640933 -0.209773 0.131280 0.097 Uiso 0.811(18) 1 calc GR . P A 1
H16B H 0.564055 -0.222797 0.188588 0.097 Uiso 0.811(18) 1 calc GR . P A 1
H16C H 0.676129 -0.206290 0.207036 0.097 Uiso 0.811(18) 1 calc GR . P A 1
C17 C 0.5333(8) -0.0624(9) 0.1218(4) 0.046(3) Uani 0.811(18) 1 d . U P A 1
H17A H 0.518075 0.004052 0.123515 0.069 Uiso 0.811(18) 1 calc GR . P A 1
H17B H 0.473897 -0.098592 0.127567 0.069 Uiso 0.811(18) 1 calc GR . P A 1
H17C H 0.561128 -0.077352 0.078993 0.069 Uiso 0.811(18) 1 calc GR . P A 1
C18 C 0.6985(9) -0.0365(12) 0.1625(6) 0.073(4) Uani 0.811(18) 1 d . U P A 1
H18A H 0.746692 -0.047154 0.197909 0.110 Uiso 0.811(18) 1 d R . P A 1
H18B H 0.684692 0.030186 0.159029 0.110 Uiso 0.811(18) 1 d R . P A 1
H18C H 0.723922 -0.058894 0.120569 0.110 Uiso 0.811(18) 1 d R . P A 1
C19 C 0.1039(5) -0.0308(5) 0.5633(4) 0.0430(19) Uani 1 1 d . . . . .
H19A H 0.110474 -0.059334 0.607110 0.065 Uiso 1 1 calc GR . . . .
H19B H 0.089586 -0.079039 0.530365 0.065 Uiso 1 1 calc GR . . . .
H19C H 0.050871 0.014575 0.563345 0.065 Uiso 1 1 calc GR . . . .
C20 C 0.3058(4) 0.1359(4) 0.5653(3) 0.0231(12) Uani 1 1 d . . . . .
C21 C 0.2186(4) 0.0932(4) 0.5846(3) 0.0248(13) Uani 1 1 d . . . . .
C22 C 0.1672(4) 0.1278(5) 0.6365(3) 0.0330(15) Uani 1 1 d . . . . .
H22 H 0.108781 0.098276 0.648963 0.040 Uiso 1 1 calc R . . . .
C23 C 0.1996(5) 0.2051(5) 0.6705(3) 0.0356(16) Uani 1 1 d . . . . .
H23 H 0.163964 0.228428 0.706529 0.043 Uiso 1 1 calc R . . . .
C24 C 0.2848(4) 0.2487(5) 0.6520(3) 0.0309(14) Uani 1 1 d . . . . .
H24 H 0.306121 0.302785 0.675050 0.037 Uiso 1 1 calc R . . . .
C25 C 0.3402(4) 0.2141(4) 0.5997(3) 0.0236(13) Uani 1 1 d . . . . .
C26 C 0.4311(4) 0.2591(4) 0.5878(3) 0.0276(13) Uani 1 1 d . . . . .
H26 H 0.443837 0.314824 0.611577 0.033 Uiso 1 1 calc R . . . .
C27 C 0.7604(4) 0.3631(4) 0.5149(3) 0.0313(14) Uani 1 1 d . . . . .
H27 H 0.821386 0.390786 0.506571 0.038 Uiso 1 1 calc R . . . .
C28 C 0.7456(4) 0.2709(4) 0.4979(3) 0.0272(13) Uani 1 1 d . . . . .
H28 H 0.796626 0.236903 0.478394 0.033 Uiso 1 1 calc R . . . .
C29 C 0.6581(4) 0.2276(4) 0.5087(3) 0.0192(11) Uani 1 1 d . . . . .
C30 C 0.5855(4) 0.2788(4) 0.5390(3) 0.0227(12) Uani 1 1 d . . . . .
C31 C 0.5998(4) 0.3730(4) 0.5544(3) 0.0253(13) Uani 1 1 d . . . . .
H31 H 0.548146 0.407954 0.572274 0.030 Uiso 1 1 calc R . . . .
C32 C 0.6891(4) 0.4162(4) 0.5437(3) 0.0262(13) Uani 1 1 d . . . . .
C33 C 0.7050(5) 0.5186(5) 0.5635(4) 0.0410(16) Uani 1 1 d . U . . .
C34 C 0.7592(15) 0.5736(11) 0.5126(9) 0.070(4) Uani 0.64(2) 1 d . U P B 1
H34A H 0.756284 0.639875 0.523433 0.105 Uiso 0.64(2) 1 calc GR . P B 1
H34B H 0.729490 0.563126 0.468843 0.105 Uiso 0.64(2) 1 calc GR . P B 1
H34C H 0.827058 0.553358 0.512485 0.105 Uiso 0.64(2) 1 calc GR . P B 1
C35 C 0.7596(13) 0.5194(11) 0.6313(8) 0.055(4) Uani 0.64(2) 1 d . U P B 1
H35A H 0.769344 0.583774 0.645826 0.082 Uiso 0.64(2) 1 calc GR . P B 1
H35B H 0.822677 0.488901 0.627055 0.082 Uiso 0.64(2) 1 calc GR . P B 1
H35C H 0.721243 0.486052 0.663869 0.082 Uiso 0.64(2) 1 calc GR . P B 1
C36 C 0.6110(9) 0.5720(9) 0.5738(10) 0.056(4) Uani 0.64(2) 1 d . U P B 1
H36A H 0.582471 0.552731 0.615480 0.084 Uiso 0.64(2) 1 calc GR . P B 1
H36B H 0.565350 0.558880 0.537216 0.084 Uiso 0.64(2) 1 calc GR . P B 1
H36C H 0.624783 0.638839 0.575227 0.084 Uiso 0.64(2) 1 calc GR . P B 1
C37 C 0.5385(6) 0.2528(6) 0.3619(4) 0.053(2) Uani 1 1 d . . . . .
H37A H 0.599293 0.262923 0.386774 0.080 Uiso 1 1 calc GR . . . .
H37B H 0.509469 0.312861 0.350181 0.080 Uiso 1 1 calc GR . . . .
H37C H 0.551770 0.217857 0.321499 0.080 Uiso 1 1 calc GR . . . .
C38 C 0.0059(7) 0.0540(7) 0.2388(5) 0.065(2) Uani 1 1 d . . . . .
C39 C 0.0588(9) 0.1406(8) 0.2406(6) 0.104(4) Uani 1 1 d . . . . .
H39A H 0.107629 0.140366 0.206125 0.156 Uiso 1 1 calc GR . . . .
H39B H 0.090916 0.147962 0.283865 0.156 Uiso 1 1 calc GR . . . .
H39C H 0.013734 0.192357 0.232867 0.156 Uiso 1 1 calc GR . . . .
C40 C 0.0509(9) -0.0238(9) 0.2731(6) 0.107(5) Uani 1 1 d . . . . .
H40A H 0.028376 -0.082087 0.252965 0.161 Uiso 1 1 calc GR . . . .
H40B H 0.033181 -0.022438 0.319634 0.161 Uiso 1 1 calc GR . . . .
H40C H 0.121513 -0.019387 0.269757 0.161 Uiso 1 1 calc GR . . . .
Dy1 Dy 0.28958(2) -0.01648(2) 0.44638(2) 0.02105(10) Uani 1 1 d . . . . .
N1 N 0.3430(3) -0.0975(3) 0.3467(2) 0.0226(11) Uani 1 1 d . . . . .
N2 N 0.4966(3) 0.2318(3) 0.5485(2) 0.0240(11) Uani 1 1 d . . . . .
N3 N 0.2222(4) 0.1539(4) 0.3825(3) 0.0324(12) Uani 1 1 d . . . . .
O1 O 0.0158(3) -0.2025(3) 0.4521(2) 0.0375(11) Uani 1 1 d . . . . .
O2 O 0.1685(3) -0.1041(3) 0.42001(19) 0.0255(9) Uani 1 1 d . . . . .
O3 O 0.4594(3) -0.0004(3) 0.43275(19) 0.0210(9) Uani 1 1 d . . . . .
O4 O 0.1937(3) 0.0157(3) 0.5472(2) 0.0270(10) Uani 1 1 d . . . . .
O5 O 0.3523(3) 0.0971(3) 0.51450(17) 0.0219(9) Uani 1 1 d . . . . .
O6 O 0.6425(3) 0.1367(3) 0.49255(18) 0.0213(8) Uani 1 1 d . . . . .
O7 O 0.1679(3) 0.1088(3) 0.4203(2) 0.0372(11) Uani 1 1 d . . . . .
O8 O 0.3007(3) 0.1126(3) 0.3659(2) 0.0318(10) Uani 1 1 d . . . . .
O9 O 0.2009(4) 0.2311(3) 0.3623(2) 0.0492(13) Uani 1 1 d . . . . .
O10 O 0.4722(3) 0.2005(3) 0.4019(2) 0.0339(10) Uani 1 1 d . . . . .
H10A H 0.425606 0.176057 0.382996 0.051 Uiso 1 1 d R . . . .
O11 O -0.0675(6) 0.0457(7) 0.2064(6) 0.148(5) Uani 1 1 d . . . . .
Zn1 Zn 0.49449(4) 0.11454(5) 0.48935(3) 0.02235(16) Uani 1 1 d . . . . .
C36A C 0.631(3) 0.575(2) 0.521(2) 0.103(12) Uani 0.36(2) 1 d . U P B 2
H36D H 0.568281 0.575716 0.542973 0.155 Uiso 0.36(2) 1 calc GR . P B 2
H36E H 0.623732 0.546837 0.477500 0.155 Uiso 0.36(2) 1 calc GR . P B 2
H36F H 0.654466 0.639243 0.516633 0.155 Uiso 0.36(2) 1 calc GR . P B 2
C34A C 0.806(3) 0.547(2) 0.5376(18) 0.070(4) Uani 0.36(2) 1 d . U P B 2
H34D H 0.815929 0.613707 0.545308 0.105 Uiso 0.36(2) 1 d R . P B 2
H34E H 0.807969 0.534247 0.490178 0.105 Uiso 0.36(2) 1 d R . P B 2
H34F H 0.857699 0.511987 0.560518 0.105 Uiso 0.36(2) 1 d R . P B 2
C35A C 0.702(3) 0.530(2) 0.6324(13) 0.059(8) Uani 0.36(2) 1 d . U P B 2
H35D H 0.741996 0.482357 0.654099 0.089 Uiso 0.36(2) 1 calc GR . P B 2
H35E H 0.634935 0.524503 0.646809 0.089 Uiso 0.36(2) 1 calc GR . P B 2
H35F H 0.727117 0.591844 0.644289 0.089 Uiso 0.36(2) 1 calc GR . P B 2
C17A C 0.569(4) -0.021(4) 0.127(2) 0.046(3) Uani 0.189(18) 1 d . U P A 2
H17D H 0.525003 0.023333 0.146911 0.069 Uiso 0.189(18) 1 d R . P A 2
H17E H 0.622753 0.012533 0.106501 0.069 Uiso 0.189(18) 1 d R . P A 2
H17F H 0.534103 -0.057107 0.092831 0.069 Uiso 0.189(18) 1 d R . P A 2
C16A C 0.583(5) -0.188(5) 0.158(3) 0.065(3) Uani 0.189(18) 1 d . U P A 2
H16D H 0.543552 -0.189171 0.117081 0.097 Uiso 0.189(18) 1 calc GR . P A 2
H16E H 0.547119 -0.217649 0.193460 0.097 Uiso 0.189(18) 1 calc GR . P A 2
H16F H 0.643595 -0.221994 0.151099 0.097 Uiso 0.189(18) 1 calc GR . P A 2
C18A C 0.716(4) -0.092(6) 0.184(2) 0.073(4) Uani 0.189(18) 1 d . U P A 2
H18D H 0.742512 -0.089439 0.139024 0.110 Uiso 0.189(18) 1 d R . P A 2
H18E H 0.738412 -0.149659 0.205324 0.110 Uiso 0.189(18) 1 d R . P A 2
H18F H 0.738682 -0.038549 0.209154 0.110 Uiso 0.189(18) 1 d R . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C1 O1 1.415(7) . ?
C2 C3 1.426(8) . ?
C2 C7 1.403(8) . ?
C2 O2 1.306(7) . ?
C3 C4 1.368(8) . ?
C3 O1 1.370(7) . ?
C4 H4 0.9500 . ?
C4 C5 1.403(9) . ?
C5 H5 0.9500 . ?
C5 C6 1.357(9) . ?
C6 H6 0.9500 . ?
C6 C7 1.402(9) . ?
C7 C8 1.442(8) . ?
C8 H8 0.9500 . ?
C8 N1 1.306(7) . ?
C9 H9 0.9500 . ?
C9 C10 1.386(8) . ?
C9 C14 1.402(9) . ?
C10 H10 0.9500 . ?
C10 C11 1.388(8) . ?
C11 C12 1.401(8) . ?
C11 O3 1.377(7) . ?
C12 C13 1.379(7) . ?
C12 N1 1.437(7) . ?
C13 H13 0.9500 . ?
C13 C14 1.415(8) . ?
C14 C15 1.536(8) . ?
C15 C16 1.517(16) . ?
C15 C17 1.525(12) . ?
C15 C18 1.496(13) . ?
C15 C17A 1.47(5) . ?
C15 C16A 1.55(7) . ?
C15 C18A 1.52(5) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9796 . ?
C18 H18B 0.9802 . ?
C18 H18C 0.9798 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C19 O4 1.452(7) . ?
C20 C21 1.413(8) . ?
C20 C25 1.402(8) . ?
C20 O5 1.346(6) . ?
C21 C22 1.374(8) . ?
C21 O4 1.386(7) . ?
C22 H22 0.9500 . ?
C22 C23 1.378(9) . ?
C23 H23 0.9500 . ?
C23 C24 1.391(8) . ?
C24 H24 0.9500 . ?
C24 C25 1.412(7) . ?
C25 C26 1.435(8) . ?
C26 H26 0.9500 . ?
C26 N2 1.280(7) . ?
C27 H27 0.9500 . ?
C27 C28 1.384(9) . ?
C27 C32 1.384(9) . ?
C28 H28 0.9500 . ?
C28 C29 1.380(8) . ?
C29 C30 1.396(7) . ?
C29 O6 1.364(6) . ?
C30 C31 1.403(8) . ?
C30 N2 1.417(7) . ?
C31 H31 0.9500 . ?
C31 C32 1.402(8) . ?
C32 C33 1.540(9) . ?
C33 C34 1.510(15) . ?
C33 C35 1.553(16) . ?
C33 C36 1.526(14) . ?
C33 C36A 1.55(3) . ?
C33 C34A 1.56(3) . ?
C33 C35A 1.41(3) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C37 O10 1.447(8) . ?
C38 C39 1.445(14) . ?
C38 C40 1.449(13) . ?
C38 O11 1.201(11) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
Dy1 N1 2.459(4) . ?
Dy1 O2 2.151(4) . ?
Dy1 O3 2.377(4) . ?
Dy1 O4 2.501(4) . ?
Dy1 O5 2.296(4) . ?
Dy1 O6 2.313(4) 3_656 ?
Dy1 O7 2.512(4) . ?
Dy1 O8 2.478(4) . ?
Dy1 Zn1 3.5198(8) 3_656 ?
N2 Zn1 2.069(5) . ?
N3 O7 1.262(6) . ?
N3 O8 1.286(6) . ?
N3 O9 1.218(7) . ?
O3 Zn1 2.355(4) 3_656 ?
O3 Zn1 2.064(4) . ?
O5 Zn1 2.052(3) . ?
O6 Zn1 2.066(4) . ?
O10 H10A 0.8200 . ?
O10 Zn1 2.177(4) . ?
C36A H36D 0.9800 . ?
C36A H36E 0.9800 . ?
C36A H36F 0.9800 . ?
C34A H34D 0.9799 . ?
C34A H34E 0.9801 . ?
C34A H34F 0.9800 . ?
C35A H35D 0.9800 . ?
C35A H35E 0.9800 . ?
C35A H35F 0.9800 . ?
C17A H17D 0.9799 . ?
C17A H17E 0.9799 . ?
C17A H17F 0.9800 . ?
C16A H16D 0.9800 . ?
C16A H16E 0.9800 . ?
C16A H16F 0.9800 . ?
C18A H18D 0.9798 . ?
C18A H18E 0.9801 . ?
C18A H18F 0.9799 . ?

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
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
C7 C2 C3 117.6(5) . . ?
O2 C2 C3 118.7(5) . . ?
O2 C2 C7 123.7(5) . . ?
C4 C3 C2 120.3(5) . . ?
C4 C3 O1 124.8(5) . . ?
O1 C3 C2 114.8(5) . . ?
C3 C4 H4 119.3 . . ?
C3 C4 C5 121.5(6) . . ?
C5 C4 H4 119.3 . . ?
C4 C5 H5 120.7 . . ?
C6 C5 C4 118.5(6) . . ?
C6 C5 H5 120.7 . . ?
C5 C6 H6 119.0 . . ?
C5 C6 C7 122.0(6) . . ?
C7 C6 H6 119.0 . . ?
C2 C7 C8 123.2(6) . . ?
C6 C7 C2 119.9(5) . . ?
C6 C7 C8 116.9(5) . . ?
C7 C8 H8 115.8 . . ?
N1 C8 C7 128.4(5) . . ?
N1 C8 H8 115.8 . . ?
C10 C9 H9 118.9 . . ?
C10 C9 C14 122.3(6) . . ?
C14 C9 H9 118.9 . . ?
C9 C10 H10 119.9 . . ?
C9 C10 C11 120.1(6) . . ?
C11 C10 H10 119.9 . . ?
C10 C11 C12 119.5(5) . . ?
O3 C11 C10 120.0(5) . . ?
O3 C11 C12 120.5(5) . . ?
C11 C12 N1 115.9(5) . . ?
C13 C12 C11 119.5(5) . . ?
C13 C12 N1 124.6(5) . . ?
C12 C13 H13 118.7 . . ?
C12 C13 C14 122.6(6) . . ?
C14 C13 H13 118.7 . . ?
C9 C14 C13 116.0(5) . . ?
C9 C14 C15 123.3(5) . . ?
C13 C14 C15 120.7(6) . . ?
C14 C15 C16A 113(3) . . ?
C16 C15 C14 109.4(7) . . ?
C16 C15 C17 108.3(8) . . ?
C17 C15 C14 110.1(6) . . ?
C18 C15 C14 111.7(7) . . ?
C18 C15 C16 109.7(9) . . ?
C18 C15 C17 107.4(8) . . ?
C17A C15 C14 108.6(18) . . ?
C17A C15 C16A 112(3) . . ?
C17A C15 C18A 115(3) . . ?
C18A C15 C14 108.3(19) . . ?
C18A C15 C16A 100(4) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 110.4 . . ?
C15 C18 H18B 108.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O4 C19 H19A 109.5 . . ?
O4 C19 H19B 109.5 . . ?
O4 C19 H19C 109.5 . . ?
C25 C20 C21 119.5(5) . . ?
O5 C20 C21 117.1(5) . . ?
O5 C20 C25 123.4(5) . . ?
C22 C21 C20 120.7(6) . . ?
C22 C21 O4 125.7(5) . . ?
O4 C21 C20 113.6(5) . . ?
C21 C22 H22 119.7 . . ?
C21 C22 C23 120.5(6) . . ?
C23 C22 H22 119.7 . . ?
C22 C23 H23 120.1 . . ?
C22 C23 C24 119.8(5) . . ?
C24 C23 H23 120.1 . . ?
C23 C24 H24 119.4 . . ?
C23 C24 C25 121.2(6) . . ?
C25 C24 H24 119.4 . . ?
C20 C25 C24 118.3(5) . . ?
C20 C25 C26 124.5(5) . . ?
C24 C25 C26 117.1(5) . . ?
C25 C26 H26 116.7 . . ?
N2 C26 C25 126.7(6) . . ?
N2 C26 H26 116.7 . . ?
C28 C27 H27 118.9 . . ?
C28 C27 C32 122.2(5) . . ?
C32 C27 H27 118.9 . . ?
C27 C28 H28 119.4 . . ?
C29 C28 C27 121.1(6) . . ?
C29 C28 H28 119.4 . . ?
C28 C29 C30 118.0(5) . . ?
O6 C29 C28 121.9(5) . . ?
O6 C29 C30 120.0(5) . . ?
C29 C30 C31 120.6(5) . . ?
C29 C30 N2 116.0(5) . . ?
C31 C30 N2 123.3(5) . . ?
C30 C31 H31 119.5 . . ?
C32 C31 C30 120.9(5) . . ?
C32 C31 H31 119.5 . . ?
C27 C32 C31 117.0(6) . . ?
C27 C32 C33 122.7(5) . . ?
C31 C32 C33 120.3(6) . . ?
C32 C33 C35 107.5(8) . . ?
C32 C33 C36A 105.8(12) . . ?
C32 C33 C34A 106.7(12) . . ?
C34 C33 C32 113.1(8) . . ?
C34 C33 C35 111.2(10) . . ?
C34 C33 C36 105.3(9) . . ?
C36 C33 C32 113.6(7) . . ?
C36 C33 C35 105.8(10) . . ?
C36A C33 C34A 105.1(19) . . ?
C35A C33 C32 111.3(13) . . ?
C35A C33 C36A 117(2) . . ?
C35A C33 C34A 110.4(18) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
O10 C37 H37A 109.5 . . ?
O10 C37 H37B 109.5 . . ?
O10 C37 H37C 109.5 . . ?
C39 C38 C40 116.3(11) . . ?
O11 C38 C39 121.3(11) . . ?
O11 C38 C40 122.2(12) . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
N1 Dy1 O4 158.77(14) . . ?
N1 Dy1 O7 112.24(15) . . ?
N1 Dy1 O8 77.96(15) . . ?
N1 Dy1 Zn1 81.21(11) . 3_656 ?
O2 Dy1 N1 76.32(14) . . ?
O2 Dy1 O3 142.24(13) . . ?
O2 Dy1 O4 83.67(13) . . ?
O2 Dy1 O5 147.87(13) . . ?
O2 Dy1 O6 89.89(14) . 3_656 ?
O2 Dy1 O7 81.73(16) . . ?
O2 Dy1 O8 109.56(15) . . ?
O2 Dy1 Zn1 120.24(11) . 3_656 ?
O3 Dy1 N1 68.69(14) . . ?
O3 Dy1 O4 128.10(13) . . ?
O3 Dy1 O7 124.19(13) . . ?
O3 Dy1 O8 77.02(14) . . ?
O3 Dy1 Zn1 41.70(10) . 3_656 ?
O4 Dy1 O7 71.10(14) . . ?
O4 Dy1 Zn1 103.32(10) . 3_656 ?
O5 Dy1 N1 135.66(14) . . ?
O5 Dy1 O3 68.95(12) . . ?
O5 Dy1 O4 64.92(12) . . ?
O5 Dy1 O6 93.88(14) . 3_656 ?
O5 Dy1 O7 81.80(15) . . ?
O5 Dy1 O8 80.44(14) . . ?
O5 Dy1 Zn1 75.99(10) . 3_656 ?
O6 Dy1 N1 87.67(14) 3_656 . ?
O6 Dy1 O3 75.28(13) 3_656 . ?
O6 Dy1 O4 85.23(13) 3_656 . ?
O6 Dy1 O7 155.56(13) 3_656 . ?
O6 Dy1 O8 151.90(13) 3_656 . ?
O6 Dy1 Zn1 34.19(9) 3_656 3_656 ?
O7 Dy1 Zn1 157.19(11) . 3_656 ?
O8 Dy1 O4 116.09(14) . . ?
O8 Dy1 O7 51.27(13) . . ?
O8 Dy1 Zn1 118.65(10) . 3_656 ?
C8 N1 C12 119.5(5) . . ?
C8 N1 Dy1 126.6(4) . . ?
C12 N1 Dy1 113.9(3) . . ?
C26 N2 C30 124.3(5) . . ?
C26 N2 Zn1 127.5(4) . . ?
C30 N2 Zn1 108.2(3) . . ?
O7 N3 O8 115.9(5) . . ?
O9 N3 O7 122.0(5) . . ?
O9 N3 O8 122.1(5) . . ?
C3 O1 C1 116.7(5) . . ?
C2 O2 Dy1 140.2(3) . . ?
C11 O3 Dy1 116.1(3) . . ?
C11 O3 Zn1 125.1(3) . . ?
C11 O3 Zn1 113.5(3) . 3_656 ?
Zn1 O3 Dy1 96.14(14) 3_656 . ?
Zn1 O3 Dy1 103.47(15) . . ?
Zn1 O3 Zn1 97.46(16) . 3_656 ?
C19 O4 Dy1 124.5(4) . . ?
C21 O4 C19 116.8(4) . . ?
C21 O4 Dy1 117.8(3) . . ?
C20 O5 Dy1 125.1(3) . . ?
C20 O5 Zn1 127.8(3) . . ?
Zn1 O5 Dy1 106.73(14) . . ?
C29 O6 Dy1 121.9(3) . 3_656 ?
C29 O6 Zn1 107.8(3) . . ?
Zn1 O6 Dy1 106.83(16) . 3_656 ?
N3 O7 Dy1 95.3(3) . . ?
N3 O8 Dy1 96.3(3) . . ?
C37 O10 H10A 117.4 . . ?
C37 O10 Zn1 132.2(4) . . ?
Zn1 O10 H10A 103.4 . . ?
N2 Zn1 Dy1 96.38(13) . 3_656 ?
N2 Zn1 O3 100.37(16) . 3_656 ?
N2 Zn1 O10 90.46(18) . . ?
O3 Zn1 Dy1 94.04(11) . 3_656 ?
O3 Zn1 Dy1 42.17(9) 3_656 3_656 ?
O3 Zn1 N2 167.25(17) . . ?
O3 Zn1 O3 82.54(16) . 3_656 ?
O3 Zn1 O6 111.14(15) . . ?
O3 Zn1 O10 88.63(16) . . ?
O5 Zn1 Dy1 131.65(11) . 3_656 ?
O5 Zn1 N2 87.59(16) . . ?
O5 Zn1 O3 79.98(15) . . ?
O5 Zn1 O3 89.64(15) . 3_656 ?
O5 Zn1 O6 163.75(14) . . ?
O5 Zn1 O10 98.78(16) . . ?
O6 Zn1 Dy1 38.98(11) . 3_656 ?
O6 Zn1 N2 81.61(16) . . ?
O6 Zn1 O3 80.48(14) . 3_656 ?
O6 Zn1 O10 93.44(15) . . ?
O10 Zn1 Dy1 129.22(11) . 3_656 ?
O10 Zn1 O3 166.59(15) . 3_656 ?
C33 C36A H36D 109.5 . . ?
C33 C36A H36E 109.5 . . ?
C33 C36A H36F 109.5 . . ?
H36D C36A H36E 109.5 . . ?
H36D C36A H36F 109.5 . . ?
H36E C36A H36F 109.5 . . ?
C33 C34A H34D 109.0 . . ?
C33 C34A H34E 108.8 . . ?
C33 C34A H34F 110.6 . . ?
H34D C34A H34E 109.5 . . ?
H34D C34A H34F 109.5 . . ?
H34E C34A H34F 109.5 . . ?
C33 C35A H35D 109.5 . . ?
C33 C35A H35E 109.5 . . ?
C33 C35A H35F 109.5 . . ?
H35D C35A H35E 109.5 . . ?
H35D C35A H35F 109.5 . . ?
H35E C35A H35F 109.5 . . ?
C15 C17A H17D 109.9 . . ?
C15 C17A H17E 110.6 . . ?
C15 C17A H17F 107.9 . . ?
H17D C17A H17E 109.5 . . ?
H17D C17A H17F 109.5 . . ?
H17E C17A H17F 109.5 . . ?
C15 C16A H16D 109.5 . . ?
C15 C16A H16E 109.5 . . ?
C15 C16A H16F 109.5 . . ?
H16D C16A H16E 109.5 . . ?
H16D C16A H16F 109.5 . . ?
H16E C16A H16F 109.5 . . ?
C15 C18A H18D 107.7 . . ?
C15 C18A H18E 112.9 . . ?
C15 C18A H18F 107.7 . . ?
H18D C18A H18E 109.5 . . ?
H18D C18A H18F 109.5 . . ?
H18E C18A H18F 109.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O10 H10A O8 0.82 1.97 2.765(6) 162.2 . yes

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2 C3 C4 C5 1.3(10) . . . . ?
C2 C3 O1 C1 -163.3(6) . . . . ?
C2 C7 C8 N1 1.8(11) . . . . ?
C3 C2 C7 C6 5.3(9) . . . . ?
C3 C2 C7 C8 -172.5(6) . . . . ?
C3 C2 O2 Dy1 160.6(4) . . . . ?
C3 C4 C5 C6 1.2(11) . . . . ?
C4 C3 O1 C1 16.2(9) . . . . ?
C4 C5 C6 C7 -0.3(11) . . . . ?
C5 C6 C7 C2 -3.0(11) . . . . ?
C5 C6 C7 C8 174.9(7) . . . . ?
C6 C7 C8 N1 -176.1(6) . . . . ?
C7 C2 C3 C4 -4.6(9) . . . . ?
C7 C2 C3 O1 174.9(5) . . . . ?
C7 C2 O2 Dy1 -19.0(10) . . . . ?
C7 C8 N1 C12 177.7(6) . . . . ?
C7 C8 N1 Dy1 -1.5(10) . . . . ?
C9 C10 C11 C12 -2.7(9) . . . . ?
C9 C10 C11 O3 176.8(5) . . . . ?
C9 C14 C15 C16 110.6(9) . . . . ?
C9 C14 C15 C17 -130.5(8) . . . . ?
C9 C14 C15 C18 -11.2(12) . . . . ?
C9 C14 C15 C17A -99(2) . . . . ?
C9 C14 C15 C16A 137(3) . . . . ?
C9 C14 C15 C18A 27(3) . . . . ?
C10 C9 C14 C13 0.5(10) . . . . ?
C10 C9 C14 C15 -177.0(6) . . . . ?
C10 C11 C12 C13 1.4(9) . . . . ?
C10 C11 C12 N1 -177.9(5) . . . . ?
C10 C11 O3 Dy1 161.1(4) . . . . ?
C10 C11 O3 Zn1 -88.9(6) . . . 3_656 ?
C10 C11 O3 Zn1 29.7(7) . . . . ?
C11 C12 C13 C14 0.9(10) . . . . ?
C11 C12 N1 C8 -164.7(6) . . . . ?
C11 C12 N1 Dy1 14.6(6) . . . . ?
C12 C11 O3 Dy1 -19.3(7) . . . . ?
C12 C11 O3 Zn1 -150.8(4) . . . . ?
C12 C11 O3 Zn1 90.7(6) . . . 3_656 ?
C12 C13 C14 C9 -1.9(10) . . . . ?
C12 C13 C14 C15 175.7(6) . . . . ?
C13 C12 N1 C8 16.1(9) . . . . ?
C13 C12 N1 Dy1 -164.6(5) . . . . ?
C13 C14 C15 C16 -66.7(10) . . . . ?
C13 C14 C15 C17 52.2(10) . . . . ?
C13 C14 C15 C18 171.5(10) . . . . ?
C13 C14 C15 C17A 84(2) . . . . ?
C13 C14 C15 C16A -40(3) . . . . ?
C13 C14 C15 C18A -150(3) . . . . ?
C14 C9 C10 C11 1.8(10) . . . . ?
C20 C21 C22 C23 0.2(10) . . . . ?
C20 C21 O4 C19 -178.8(6) . . . . ?
C20 C21 O4 Dy1 -9.1(6) . . . . ?
C20 C25 C26 N2 -5.5(10) . . . . ?
C21 C20 C25 C24 -1.3(9) . . . . ?
C21 C20 C25 C26 175.2(6) . . . . ?
C21 C20 O5 Dy1 10.8(7) . . . . ?
C21 C20 O5 Zn1 -161.4(4) . . . . ?
C21 C22 C23 C24 0.4(10) . . . . ?
C22 C21 O4 C19 2.0(9) . . . . ?
C22 C21 O4 Dy1 171.6(5) . . . . ?
C22 C23 C24 C25 -1.4(10) . . . . ?
C23 C24 C25 C20 1.9(9) . . . . ?
C23 C24 C25 C26 -174.9(6) . . . . ?
C24 C25 C26 N2 171.0(6) . . . . ?
C25 C20 C21 C22 0.3(9) . . . . ?
C25 C20 C21 O4 -179.0(5) . . . . ?
C25 C20 O5 Dy1 -170.3(4) . . . . ?
C25 C20 O5 Zn1 17.5(8) . . . . ?
C25 C26 N2 C30 -179.6(6) . . . . ?
C25 C26 N2 Zn1 -0.2(9) . . . . ?
C27 C28 C29 C30 -1.6(9) . . . . ?
C27 C28 C29 O6 -179.7(5) . . . . ?
C27 C32 C33 C34 41.8(13) . . . . ?
C27 C32 C33 C35 -81.4(10) . . . . ?
C27 C32 C33 C36 161.9(10) . . . . ?
C27 C32 C33 C36A 118(2) . . . . ?
C27 C32 C33 C34A 6.1(18) . . . . ?
C27 C32 C33 C35A -114.4(18) . . . . ?
C28 C27 C32 C31 -0.8(9) . . . . ?
C28 C27 C32 C33 179.4(6) . . . . ?
C28 C29 C30 C31 3.5(8) . . . . ?
C28 C29 C30 N2 179.4(5) . . . . ?
C28 C29 O6 Dy1 73.7(6) . . . 3_656 ?
C28 C29 O6 Zn1 -162.3(4) . . . . ?
C29 C30 C31 C32 -4.1(9) . . . . ?
C29 C30 N2 C26 163.4(6) . . . . ?
C29 C30 N2 Zn1 -16.1(6) . . . . ?
C30 C29 O6 Dy1 -104.3(5) . . . 3_656 ?
C30 C29 O6 Zn1 19.6(6) . . . . ?
C30 C31 C32 C27 2.7(9) . . . . ?
C30 C31 C32 C33 -177.5(6) . . . . ?
C31 C30 N2 C26 -20.8(9) . . . . ?
C31 C30 N2 Zn1 159.7(5) . . . . ?
C31 C32 C33 C34 -137.9(11) . . . . ?
C31 C32 C33 C35 98.9(10) . . . . ?
C31 C32 C33 C36 -17.9(12) . . . . ?
C31 C32 C33 C36A -62(2) . . . . ?
C31 C32 C33 C34A -173.6(17) . . . . ?
C31 C32 C33 C35A 65.9(18) . . . . ?
C32 C27 C28 C29 0.3(10) . . . . ?
N1 C12 C13 C14 -179.8(6) . . . . ?
N2 C30 C31 C32 -179.7(5) . . . . ?
O1 C3 C4 C5 -178.1(6) . . . . ?
O2 C2 C3 C4 175.9(6) . . . . ?
O2 C2 C3 O1 -4.7(8) . . . . ?
O2 C2 C7 C6 -175.1(6) . . . . ?
O2 C2 C7 C8 7.1(10) . . . . ?
O3 C11 C12 C13 -178.2(5) . . . . ?
O3 C11 C12 N1 2.5(8) . . . . ?
O4 C21 C22 C23 179.3(6) . . . . ?
O5 C20 C21 C22 179.2(5) . . . . ?
O5 C20 C21 O4 0.0(8) . . . . ?
O5 C20 C25 C24 179.8(5) . . . . ?
O5 C20 C25 C26 -3.7(10) . . . . ?
O6 C29 C30 C31 -178.4(5) . . . . ?
O6 C29 C30 N2 -2.5(8) . . . . ?
O7 N3 O8 Dy1 -11.1(5) . . . . ?
O8 N3 O7 Dy1 10.9(5) . . . . ?
O9 N3 O7 Dy1 -170.0(5) . . . . ?
O9 N3 O8 Dy1 169.8(5) . . . . ?

# end Validation Reply Form
_olex2_submission_special_instructions 'No special instructions were received'
# start Validation Reply Form
_vrf_PLAT971_1                   
;
PROBLEM:  Check Calcd Resid. Dens. 0.85A From Dy1 2.59 eA-3 
RESPONSE: High residual density is caused by truncation effects
of heavy metal atoms (Dy/Zn), which is derived from the
low-intensity diffraction at high angle.
;
####################################################################### 
# 
# 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
_database_code_depnum_ccdc_archive 'CCDC 1901591'
loop_
_audit_author_name
_audit_author_address
'Hongshan Ke'
;Northwest University
China
;
_audit_update_record             
;
2019-04-23 deposited with the CCDC.	2019-04-23 downloaded from the CCDC.
;
_audit_creation_date             2019-04-23
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2019.04.18 svn.r3594 for OlexSys, GUI svn.r5739)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C80 H94 Dy2 N4 O18 Zn2, 4(C3 H6 O)'
_chemical_formula_sum            'C92 H118 Dy2 N4 O22 Zn2'
_chemical_formula_weight         2087.64
_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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   12.903(3)
_cell_length_b                   13.716(3)
_cell_length_c                   15.560(3)
_cell_angle_alpha                70.194(4)
_cell_angle_beta                 70.908(4)
_cell_angle_gamma                62.195(4)
_cell_volume                     2244.0(8)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    2672
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      23.03
_cell_measurement_theta_min      2.53
_shelx_estimated_absorpt_T_max   0.790
_shelx_estimated_absorpt_T_min   0.688
_exptl_absorpt_coefficient_mu    2.248
_exptl_absorpt_correction_T_max  0.6879
_exptl_absorpt_correction_T_min  0.6552
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.545
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1066
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0754
_diffrn_reflns_av_unetI/netI     0.1512
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            14174
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.146
_diffrn_reflns_theta_min         1.421
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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                5850
_reflns_number_total             8843
_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       'SAINT v7.34A (Bruker, 200?)'
_computing_data_collection       'SAINT v7.34A (Bruker, 200?)'
_computing_data_reduction        'SAINT v7.34A (Bruker, 200?)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.497
_refine_diff_density_min         -1.383
_refine_diff_density_rms         0.214
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     578
_refine_ls_number_reflns         8843
_refine_ls_number_restraints     76
_refine_ls_R_factor_all          0.1069
_refine_ls_R_factor_gt           0.0668
_refine_ls_restrained_S_all      1.013
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0503P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1293
_refine_ls_wR_factor_ref         0.1557
_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, All O(H) groups
2. Restrained distances
 O10-C44 = O10A-C44A
 1.2 with sigma of 0.01
 C45A-C44A = C46A-C44A = C46-C44 = C45-C44
 1.5 with sigma of 0.01
 O10A_$1-O7
 2.91 with sigma of 0.001
 C39-H9A
 1.882913 with sigma of 0.02
 Zn1-H9A
 2.695258 with sigma of 0.02
 O10-C45 \\sim O10-C46 \\sim O10A-C45A \\sim O10A-C46A
 with sigma of 0.02
3. Restrained planarity
 O10A, C44A, C45A, C46A
 with sigma of 0.1
 O10, C44, C45, C46
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
Uanis(C22) \\sim Ueq, Uanis(C5) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C44) = Uanis(C44A)
Uanis(C45) = Uanis(C45A)
Uanis(C46) = Uanis(C46A)
Uanis(O10A) = Uanis(O10)
5. Rigid body (RIGU) restrains
 O10A, C44A, C45A, C46A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 O10, C44, C45, C46
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
6. Others
 Sof(O10A)=Sof(C44A)=Sof(C45A)=Sof(H45D)=Sof(H45E)=Sof(H45F)=Sof(C46A)=
 Sof(H46D)=Sof(H46E)=Sof(H46F)=1-FVAR(1)
 Sof(O10)=Sof(C45)=Sof(H45A)=Sof(H45B)=Sof(H45C)=Sof(C46)=Sof(H46A)=Sof(H46B)=
 Sof(H46C)=Sof(C44)=FVAR(1)
7.a Riding coordinates:
 O9(H9A), C46A(H46D,H46E,H46F)
7.b Secondary CH2 refined with riding coordinates:
 C39(H39A,H39B)
7.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C13(H13), C22(H22),
 C23(H23), C24(H24), C26(H26), C27(H27), C28(H28), C31(H31)
7.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C18(H18A,H18B,
 H18C), C19(H19A,H19B,H19C), C34(H34A,H34B,H34C), C35(H35A,H35B,H35C), C36(H36A,
 H36B,H36C), C38(H38A,H38B,H38C), C40(H40A,H40B,H40C), C42(H42A,H42B,H42C),
 C43(H43A,H43B,H43C), C45(H45A,H45B,H45C), C46(H46A,H46B,H46C), C45A(H45D,H45E,
 H45F)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 1.4735(9) -0.2276(8) 1.0845(7) 0.036(3) Uani 1 1 d . . . . .
H1A H 1.526006 -0.225826 1.024303 0.054 Uiso 1 1 calc GR . . . .
H1B H 1.441162 -0.282383 1.096384 0.054 Uiso 1 1 calc GR . . . .
H1C H 1.517434 -0.247769 1.131551 0.054 Uiso 1 1 calc GR . . . .
C2 C 1.1975(8) 0.0016(8) 1.1606(5) 0.019(2) Uani 1 1 d . . . . .
C3 C 1.2982(8) -0.1044(8) 1.1689(6) 0.020(2) Uani 1 1 d . . . . .
C4 C 1.3065(9) -0.1829(8) 1.2521(6) 0.028(2) Uani 1 1 d . . . . .
H4 H 1.371574 -0.252351 1.256150 0.033 Uiso 1 1 calc R . . . .
C5 C 1.2160(9) -0.1572(8) 1.3309(7) 0.032(2) Uani 1 1 d . U . . .
H5 H 1.220798 -0.210138 1.387355 0.038 Uiso 1 1 calc R . . . .
C6 C 1.1218(9) -0.0559(8) 1.3251(6) 0.027(2) Uani 1 1 d . . . . .
H6 H 1.062976 -0.040565 1.378391 0.032 Uiso 1 1 calc R . . . .
C7 C 1.1095(8) 0.0278(7) 1.2410(6) 0.021(2) Uani 1 1 d . . . . .
C8 C 1.0085(7) 0.1329(7) 1.2408(6) 0.020(2) Uani 1 1 d . . . . .
H8 H 0.958359 0.142259 1.298650 0.024 Uiso 1 1 calc R . . . .
C9 C 0.6536(8) 0.4986(8) 1.2027(5) 0.021(2) Uani 1 1 d . . . . .
H9 H 0.582754 0.562763 1.207229 0.025 Uiso 1 1 calc R . . . .
C10 C 0.7443(7) 0.5034(7) 1.1283(5) 0.0176(19) Uani 1 1 d . . . . .
H10 H 0.733243 0.569909 1.082446 0.021 Uiso 1 1 calc R . . . .
C11 C 0.8518(7) 0.4123(7) 1.1195(5) 0.0131(18) Uani 1 1 d . . . . .
C12 C 0.8659(7) 0.3105(7) 1.1865(5) 0.0146(18) Uani 1 1 d . . . . .
C13 C 0.7696(7) 0.3078(7) 1.2596(5) 0.0157(18) Uani 1 1 d . . . . .
H13 H 0.777436 0.239427 1.302306 0.019 Uiso 1 1 calc R . . . .
C14 C 0.6633(8) 0.3998(7) 1.2729(5) 0.0163(19) Uani 1 1 d . . . . .
C15 C 0.5651(8) 0.3898(8) 1.3579(6) 0.024(2) Uani 1 1 d . . . . .
C16 C 0.5146(8) 0.3127(8) 1.3534(6) 0.027(2) Uani 1 1 d . . . . .
H16A H 0.486310 0.339732 1.296394 0.041 Uiso 1 1 calc GR . . . .
H16B H 0.449427 0.311734 1.405530 0.041 Uiso 1 1 calc GR . . . .
H16C H 0.575864 0.237612 1.355593 0.041 Uiso 1 1 calc GR . . . .
C17 C 0.6203(9) 0.3404(9) 1.4460(6) 0.033(3) Uani 1 1 d . . . . .
H17A H 0.679023 0.264670 1.445056 0.050 Uiso 1 1 calc GR . . . .
H17B H 0.558346 0.339419 1.500790 0.050 Uiso 1 1 calc GR . . . .
H17C H 0.657517 0.386388 1.446744 0.050 Uiso 1 1 calc GR . . . .
C18 C 0.4619(8) 0.5082(8) 1.3655(6) 0.030(2) Uani 1 1 d . . . . .
H18A H 0.494427 0.559355 1.363486 0.045 Uiso 1 1 calc GR . . . .
H18B H 0.405826 0.501326 1.423314 0.045 Uiso 1 1 calc GR . . . .
H18C H 0.421842 0.536699 1.314395 0.045 Uiso 1 1 calc GR . . . .
C19 C 1.3676(8) 0.0896(7) 0.8861(6) 0.028(2) Uani 1 1 d . . . . .
H19A H 1.360520 0.043411 0.948054 0.042 Uiso 1 1 calc GR . . . .
H19B H 1.443620 0.095325 0.867424 0.042 Uiso 1 1 calc GR . . . .
H19C H 1.361868 0.056030 0.843764 0.042 Uiso 1 1 calc GR . . . .
C20 C 1.1562(7) 0.3744(7) 0.8002(6) 0.0156(18) Uani 1 1 d . . . . .
C21 C 1.2600(8) 0.2757(8) 0.7974(5) 0.019(2) Uani 1 1 d . . . . .
C22 C 1.3405(8) 0.2520(8) 0.7163(6) 0.026(2) Uani 1 1 d . U . . .
H22 H 1.406868 0.183585 0.716124 0.031 Uiso 1 1 calc R . . . .
C23 C 1.3189(9) 0.3350(9) 0.6332(6) 0.035(3) Uani 1 1 d . . . . .
H23 H 1.371952 0.321465 0.577091 0.043 Uiso 1 1 calc R . . . .
C24 C 1.2242(9) 0.4318(9) 0.6342(6) 0.029(2) Uani 1 1 d . . . . .
H24 H 1.212586 0.485110 0.578332 0.035 Uiso 1 1 calc R . . . .
C25 C 1.1407(7) 0.4574(7) 0.7158(5) 0.0161(18) Uani 1 1 d . . . . .
C26 C 1.0410(7) 0.5649(7) 0.7086(6) 0.020(2) Uani 1 1 d . . . . .
H26 H 1.038397 0.612537 0.649578 0.024 Uiso 1 1 calc R . . . .
C27 C 0.6570(7) 0.9073(7) 0.7444(5) 0.0187(19) Uani 1 1 d . . . . .
H27 H 0.589868 0.975204 0.739771 0.022 Uiso 1 1 calc R . . . .
C28 C 0.6814(8) 0.8471(7) 0.8314(5) 0.0186(19) Uani 1 1 d . . . . .
H28 H 0.628640 0.872925 0.883905 0.022 Uiso 1 1 calc R . . . .
C29 C 0.7823(7) 0.7495(7) 0.8418(5) 0.0151(18) Uani 1 1 d . . . . .
C30 C 0.8542(8) 0.7088(8) 0.7619(5) 0.0179(19) Uani 1 1 d . . . . .
C31 C 0.8265(7) 0.7692(7) 0.6751(5) 0.0175(19) Uani 1 1 d . . . . .
H31 H 0.875769 0.739939 0.623076 0.021 Uiso 1 1 calc R . . . .
C32 C 0.7291(8) 0.8707(7) 0.6626(5) 0.0172(19) Uani 1 1 d . . . . .
C33 C 0.7048(8) 0.9344(8) 0.5639(6) 0.027(2) Uani 1 1 d . . . . .
C34 C 0.5981(9) 1.0475(9) 0.5658(7) 0.038(3) Uani 1 1 d . . . . .
H34A H 0.527194 1.034972 0.600836 0.057 Uiso 1 1 calc GR . . . .
H34B H 0.588223 1.087752 0.503153 0.057 Uiso 1 1 calc GR . . . .
H34C H 0.611639 1.091285 0.594550 0.057 Uiso 1 1 calc GR . . . .
C35 C 0.8113(9) 0.9605(8) 0.5030(6) 0.032(2) Uani 1 1 d . . . . .
H35A H 0.832531 0.995997 0.534220 0.048 Uiso 1 1 calc GR . . . .
H35B H 0.791122 1.010388 0.444898 0.048 Uiso 1 1 calc GR . . . .
H35C H 0.877743 0.891498 0.491196 0.048 Uiso 1 1 calc GR . . . .
C36 C 0.6777(10) 0.8620(9) 0.5239(6) 0.041(3) Uani 1 1 d . . . . .
H36A H 0.749924 0.798267 0.509105 0.062 Uiso 1 1 calc GR . . . .
H36B H 0.646589 0.906813 0.468366 0.062 Uiso 1 1 calc GR . . . .
H36C H 0.619629 0.835802 0.569280 0.062 Uiso 1 1 calc GR . . . .
C37 C 0.9582(9) 0.1822(8) 0.9422(6) 0.023(2) Uani 1 1 d . . . . .
C38 C 0.8894(10) 0.1440(9) 0.9119(7) 0.040(3) Uani 1 1 d . . . . .
H38A H 0.885610 0.075602 0.954491 0.060 Uiso 1 1 calc GR . . . .
H38B H 0.927858 0.130039 0.850481 0.060 Uiso 1 1 calc GR . . . .
H38C H 0.809879 0.201362 0.910970 0.060 Uiso 1 1 calc GR . . . .
C39 C 0.6800(8) 0.5383(8) 0.9075(7) 0.035(3) Uani 1 1 d D . . . .
H39A H 0.668327 0.606986 0.858883 0.042 Uiso 1 1 calc R . . . .
H39B H 0.638993 0.559850 0.966903 0.042 Uiso 1 1 calc R . . . .
C40 C 0.6271(10) 0.4713(11) 0.8920(8) 0.051(3) Uani 1 1 d . . . . .
H40A H 0.672000 0.444196 0.836002 0.076 Uiso 1 1 calc GR . . . .
H40B H 0.545527 0.518180 0.886000 0.076 Uiso 1 1 calc GR . . . .
H40C H 0.629519 0.408201 0.944044 0.076 Uiso 1 1 calc GR . . . .
C41 C 0.9551(12) 0.3637(12) 0.5991(8) 0.054(4) Uani 1 1 d . . . . .
C42 C 0.8692(14) 0.4722(15) 0.6270(10) 0.101(6) Uani 1 1 d . . . . .
H42A H 0.899155 0.529841 0.593289 0.152 Uiso 1 1 calc GR . . . .
H42B H 0.859783 0.462675 0.692737 0.152 Uiso 1 1 calc GR . . . .
H42C H 0.793121 0.494045 0.612949 0.152 Uiso 1 1 calc GR . . . .
C43 C 1.0260(16) 0.2751(13) 0.6653(9) 0.093(6) Uani 1 1 d . . . . .
H43A H 1.029753 0.203510 0.665263 0.140 Uiso 1 1 calc GR . . . .
H43B H 0.989635 0.289988 0.726618 0.140 Uiso 1 1 calc GR . . . .
H43C H 1.105383 0.273090 0.647887 0.140 Uiso 1 1 calc GR . . . .
Dy1 Dy 1.09121(4) 0.24300(4) 1.01202(3) 0.01588(13) Uani 1 1 d . . . . .
N1 N 0.9768(6) 0.2167(6) 1.1719(4) 0.0155(16) Uani 1 1 d . . . . .
N2 N 0.9544(6) 0.6025(6) 0.7759(4) 0.0155(15) Uani 1 1 d . . . . .
O1 O 1.3781(6) -0.1185(5) 1.0864(4) 0.0271(15) Uani 1 1 d . . . . .
O2 O 1.1944(5) 0.0734(5) 1.0796(4) 0.0207(13) Uani 1 1 d . . . . .
O3 O 0.9457(5) 0.4189(4) 1.0471(3) 0.0116(12) Uani 1 1 d . . . . .
O4 O 1.2722(5) 0.2017(5) 0.8847(4) 0.0191(13) Uani 1 1 d . . . . .
O5 O 1.0822(5) 0.3861(5) 0.8817(3) 0.0150(12) Uani 1 1 d . . . . .
O6 O 0.8149(5) 0.6913(5) 0.9254(3) 0.0140(12) Uani 1 1 d . . . . .
O7 O 1.0704(6) 0.1400(6) 0.9230(4) 0.0331(17) Uani 1 1 d D . . . .
O8 O 0.9043(5) 0.2582(5) 0.9903(4) 0.0191(13) Uani 1 1 d . . . . .
O9 O 0.8054(5) 0.4755(5) 0.9071(4) 0.0217(14) Uani 1 1 d . . . . .
H9A H 0.813174 0.409493 0.927495 0.033 Uiso 1 1 d DR . . . .
O1AA O 0.9622(10) 0.3517(9) 0.5253(6) 0.095(4) Uani 1 1 d . . . . .
Zn1 Zn 0.93408(9) 0.52835(8) 0.91571(6) 0.0142(2) Uani 1 1 d D . . . .
O10 O 0.8083(13) 0.0573(12) 1.1921(9) 0.103(4) Uani 0.752(9) 1 d D U P A 1
C45 C 0.6274(14) 0.1868(14) 1.1396(11) 0.076(4) Uani 0.752(9) 1 d D U P A 1
H45A H 0.641078 0.254337 1.124417 0.113 Uiso 0.752(9) 1 calc GR . P A 1
H45B H 0.544452 0.202799 1.167065 0.113 Uiso 0.752(9) 1 calc GR . P A 1
H45C H 0.648439 0.160552 1.083901 0.113 Uiso 0.752(9) 1 calc GR . P A 1
C46 C 0.6249(15) 0.0575(16) 1.2902(10) 0.088(4) Uani 0.752(9) 1 d D U P A 1
H46A H 0.668997 0.014117 1.339276 0.133 Uiso 0.752(9) 1 calc GR . P A 1
H46B H 0.599111 0.010819 1.275407 0.133 Uiso 0.752(9) 1 calc GR . P A 1
H46C H 0.556338 0.120882 1.310194 0.133 Uiso 0.752(9) 1 calc GR . P A 1
C44 C 0.7020(14) 0.0983(13) 1.2069(9) 0.094(4) Uani 0.752(9) 1 d D U P A 1
O10A O 0.762(2) -0.086(2) 1.2494(12) 0.103(4) Uani 0.248(9) 1 d D U P A 2
C44A C 0.749(2) 0.006(2) 1.2184(17) 0.094(4) Uani 0.248(9) 1 d D U P A 2
C45A C 0.685(4) 0.105(2) 1.151(3) 0.076(4) Uani 0.248(9) 1 d D U P A 2
H45D H 0.690667 0.080240 1.097556 0.113 Uiso 0.248(9) 1 calc GR . P A 2
H45E H 0.720121 0.158789 1.130692 0.113 Uiso 0.248(9) 1 calc GR . P A 2
H45F H 0.602166 0.138902 1.179360 0.113 Uiso 0.248(9) 1 calc GR . P A 2
C46A C 0.790(3) 0.073(2) 1.2462(18) 0.088(4) Uani 0.248(9) 1 d D U P A 2
H46D H 0.764300 0.082093 1.309319 0.133 Uiso 0.248(9) 1 d R . P A 2
H46E H 0.775380 0.145533 1.204059 0.133 Uiso 0.248(9) 1 d R . P A 2
H46F H 0.874060 0.025953 1.234749 0.133 Uiso 0.248(9) 1 d R . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 O1 1.429(10) . ?
C2 C3 1.428(12) . ?
C2 C7 1.406(11) . ?
C2 O2 1.310(9) . ?
C3 C4 1.373(12) . ?
C3 O1 1.366(10) . ?
C4 H4 0.9300 . ?
C4 C5 1.400(13) . ?
C5 H5 0.9300 . ?
C5 C6 1.352(13) . ?
C6 H6 0.9300 . ?
C6 C7 1.416(11) . ?
C7 C8 1.423(12) . ?
C8 H8 0.9300 . ?
C8 N1 1.285(10) . ?
C9 H9 0.9300 . ?
C9 C10 1.360(11) . ?
C9 C14 1.404(12) . ?
C10 H10 0.9300 . ?
C10 C11 1.370(11) . ?
C11 C12 1.404(11) . ?
C11 O3 1.374(9) . ?
C12 C13 1.388(10) . ?
C12 N1 1.422(10) . ?
C13 H13 0.9300 . ?
C13 C14 1.376(11) . ?
C14 C15 1.521(11) . ?
C15 C16 1.506(11) . ?
C15 C17 1.550(12) . ?
C15 C18 1.561(12) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C19 O4 1.452(10) . ?
C20 C21 1.393(12) . ?
C20 C25 1.416(11) . ?
C20 O5 1.322(9) . ?
C21 C22 1.372(11) . ?
C21 O4 1.398(9) . ?
C22 H22 0.9300 . ?
C22 C23 1.410(12) . ?
C23 H23 0.9300 . ?
C23 C24 1.321(13) . ?
C24 H24 0.9300 . ?
C24 C25 1.397(11) . ?
C25 C26 1.433(11) . ?
C26 H26 0.9300 . ?
C26 N2 1.294(10) . ?
C27 H27 0.9300 . ?
C27 C28 1.375(11) . ?
C27 C32 1.401(11) . ?
C28 H28 0.9300 . ?
C28 C29 1.370(12) . ?
C29 C30 1.396(11) . ?
C29 O6 1.359(9) . ?
C30 C31 1.385(11) . ?
C30 N2 1.433(11) . ?
C31 H31 0.9300 . ?
C31 C32 1.379(11) . ?
C32 C33 1.539(11) . ?
C33 C34 1.521(13) . ?
C33 C35 1.514(12) . ?
C33 C36 1.544(12) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 C38 1.470(12) . ?
C37 O7 1.253(11) . ?
C37 O8 1.281(10) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C39 C40 1.488(12) . ?
C39 O9 1.434(9) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 C42 1.488(19) . ?
C41 C43 1.452(18) . ?
C41 O1AA 1.183(12) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
Dy1 N1 2.446(6) . ?
Dy1 O2 2.158(6) . ?
Dy1 O3 2.374(5) . ?
Dy1 O4 2.490(5) . ?
Dy1 O5 2.285(5) . ?
Dy1 O6 2.369(5) 2_767 ?
Dy1 O7 2.431(5) . ?
Dy1 O8 2.448(5) . ?
Dy1 Zn1 3.5050(12) . ?
Dy1 Zn1 3.5215(12) 2_767 ?
N2 Zn1 2.052(6) . ?
O3 Zn1 2.090(5) . ?
O3 Zn1 2.276(5) 2_767 ?
O5 Zn1 2.073(6) . ?
O6 Zn1 2.062(6) . ?
O9 H9A 0.8201 . ?
O9 Zn1 2.152(5) . ?
O10 C44 1.188(9) . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C45 C44 1.484(9) . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C46 C44 1.472(9) . ?
O10A C44A 1.147(10) . ?
C44A C45A 1.477(10) . ?
C44A C46A 1.475(10) . ?
C45A H45D 0.9600 . ?
C45A H45E 0.9600 . ?
C45A H45F 0.9600 . ?
C46A H46D 0.9599 . ?
C46A H46E 0.9599 . ?
C46A H46F 0.9601 . ?

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
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
C7 C2 C3 118.7(8) . . ?
O2 C2 C3 118.6(7) . . ?
O2 C2 C7 122.5(8) . . ?
C4 C3 C2 121.2(8) . . ?
O1 C3 C2 113.0(7) . . ?
O1 C3 C4 125.8(8) . . ?
C3 C4 H4 120.3 . . ?
C3 C4 C5 119.4(9) . . ?
C5 C4 H4 120.3 . . ?
C4 C5 H5 119.8 . . ?
C6 C5 C4 120.3(9) . . ?
C6 C5 H5 119.8 . . ?
C5 C6 H6 118.8 . . ?
C5 C6 C7 122.4(9) . . ?
C7 C6 H6 118.8 . . ?
C2 C7 C6 117.9(8) . . ?
C2 C7 C8 123.1(8) . . ?
C6 C7 C8 119.1(8) . . ?
C7 C8 H8 115.5 . . ?
N1 C8 C7 129.1(8) . . ?
N1 C8 H8 115.5 . . ?
C10 C9 H9 118.9 . . ?
C10 C9 C14 122.2(9) . . ?
C14 C9 H9 118.9 . . ?
C9 C10 H10 119.4 . . ?
C9 C10 C11 121.3(8) . . ?
C11 C10 H10 119.4 . . ?
C10 C11 C12 119.1(7) . . ?
C10 C11 O3 121.4(7) . . ?
O3 C11 C12 119.5(7) . . ?
C11 C12 N1 117.0(7) . . ?
C13 C12 C11 117.8(8) . . ?
C13 C12 N1 125.2(7) . . ?
C12 C13 H13 117.9 . . ?
C14 C13 C12 124.3(8) . . ?
C14 C13 H13 117.9 . . ?
C9 C14 C15 124.4(8) . . ?
C13 C14 C9 115.2(7) . . ?
C13 C14 C15 120.3(8) . . ?
C14 C15 C17 108.1(7) . . ?
C14 C15 C18 110.8(7) . . ?
C16 C15 C14 111.0(7) . . ?
C16 C15 C17 109.3(8) . . ?
C16 C15 C18 109.1(7) . . ?
C17 C15 C18 108.5(7) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O4 C19 H19A 109.5 . . ?
O4 C19 H19B 109.5 . . ?
O4 C19 H19C 109.5 . . ?
C21 C20 C25 117.2(7) . . ?
O5 C20 C21 117.9(8) . . ?
O5 C20 C25 124.8(8) . . ?
C20 C21 O4 113.5(7) . . ?
C22 C21 C20 123.0(8) . . ?
C22 C21 O4 123.4(8) . . ?
C21 C22 H22 121.2 . . ?
C21 C22 C23 117.7(9) . . ?
C23 C22 H22 121.2 . . ?
C22 C23 H23 119.7 . . ?
C24 C23 C22 120.6(9) . . ?
C24 C23 H23 119.7 . . ?
C23 C24 H24 118.7 . . ?
C23 C24 C25 122.7(9) . . ?
C25 C24 H24 118.7 . . ?
C20 C25 C26 123.6(7) . . ?
C24 C25 C20 118.5(8) . . ?
C24 C25 C26 117.8(8) . . ?
C25 C26 H26 116.7 . . ?
N2 C26 C25 126.6(8) . . ?
N2 C26 H26 116.7 . . ?
C28 C27 H27 118.7 . . ?
C28 C27 C32 122.7(8) . . ?
C32 C27 H27 118.7 . . ?
C27 C28 H28 119.5 . . ?
C29 C28 C27 121.0(8) . . ?
C29 C28 H28 119.5 . . ?
C28 C29 C30 117.6(8) . . ?
O6 C29 C28 123.3(7) . . ?
O6 C29 C30 119.1(8) . . ?
C29 C30 N2 116.3(7) . . ?
C31 C30 C29 120.4(8) . . ?
C31 C30 N2 123.2(7) . . ?
C30 C31 H31 118.6 . . ?
C32 C31 C30 122.8(8) . . ?
C32 C31 H31 118.6 . . ?
C27 C32 C33 124.6(8) . . ?
C31 C32 C27 115.3(7) . . ?
C31 C32 C33 120.1(8) . . ?
C32 C33 C36 109.0(7) . . ?
C34 C33 C32 111.1(8) . . ?
C34 C33 C36 108.7(8) . . ?
C35 C33 C32 109.7(7) . . ?
C35 C33 C34 106.5(8) . . ?
C35 C33 C36 111.8(8) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O7 C37 C38 120.9(9) . . ?
O7 C37 O8 118.8(8) . . ?
O8 C37 C38 120.3(9) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
H39A C39 H39B 108.0 . . ?
C40 C39 H39A 109.3 . . ?
C40 C39 H39B 109.3 . . ?
O9 C39 H39A 109.3 . . ?
O9 C39 H39B 109.3 . . ?
O9 C39 C40 111.6(8) . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C43 C41 C42 118.0(11) . . ?
O1AA C41 C42 119.7(14) . . ?
O1AA C41 C43 122.3(14) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
N1 Dy1 O4 155.8(2) . . ?
N1 Dy1 O8 77.2(2) . . ?
N1 Dy1 Zn1 78.36(15) . 2_767 ?
N1 Dy1 Zn1 103.11(17) . . ?
O2 Dy1 N1 75.1(2) . . ?
O2 Dy1 O3 140.94(19) . . ?
O2 Dy1 O4 81.9(2) . . ?
O2 Dy1 O5 146.9(2) . . ?
O2 Dy1 O6 88.0(2) . 2_767 ?
O2 Dy1 O7 81.5(2) . . ?
O2 Dy1 O8 111.5(2) . . ?
O2 Dy1 Zn1 118.58(15) . 2_767 ?
O2 Dy1 Zn1 173.98(15) . . ?
O3 Dy1 N1 68.9(2) . . ?
O3 Dy1 O4 129.99(18) . . ?
O3 Dy1 O7 125.1(2) . . ?
O3 Dy1 O8 75.17(18) . . ?
O3 Dy1 Zn1 39.75(12) . 2_767 ?
O3 Dy1 Zn1 35.48(12) . . ?
O4 Dy1 Zn1 106.67(13) . 2_767 ?
O4 Dy1 Zn1 98.93(13) . . ?
O5 Dy1 N1 137.6(2) . . ?
O5 Dy1 O3 69.20(18) . . ?
O5 Dy1 O4 65.05(19) . . ?
O5 Dy1 O6 91.03(18) . 2_767 ?
O5 Dy1 O7 88.2(2) . . ?
O5 Dy1 O8 85.91(18) . . ?
O5 Dy1 Zn1 74.04(13) . 2_767 ?
O5 Dy1 Zn1 34.45(13) . . ?
O6 Dy1 N1 83.69(18) 2_767 . ?
O6 Dy1 O3 73.62(18) 2_767 . ?
O6 Dy1 O4 87.88(18) 2_767 . ?
O6 Dy1 O7 159.1(2) 2_767 . ?
O6 Dy1 O8 147.60(19) 2_767 . ?
O6 Dy1 Zn1 86.10(14) 2_767 . ?
O6 Dy1 Zn1 34.44(14) 2_767 2_767 ?
O7 Dy1 N1 110.6(2) . . ?
O7 Dy1 O4 72.9(2) . . ?
O7 Dy1 O8 53.1(2) . . ?
O7 Dy1 Zn1 104.49(17) . . ?
O7 Dy1 Zn1 159.90(17) . 2_767 ?
O8 Dy1 O4 119.34(18) . . ?
O8 Dy1 Zn1 114.92(14) . 2_767 ?
O8 Dy1 Zn1 73.32(14) . . ?
Zn1 Dy1 Zn1 55.44(3) . 2_767 ?
C8 N1 C12 119.5(7) . . ?
C8 N1 Dy1 127.6(6) . . ?
C12 N1 Dy1 112.9(5) . . ?
C26 N2 C30 123.1(7) . . ?
C26 N2 Zn1 128.3(6) . . ?
C30 N2 Zn1 108.5(5) . . ?
C3 O1 C1 117.2(7) . . ?
C2 O2 Dy1 142.2(5) . . ?
C11 O3 Dy1 115.1(5) . . ?
C11 O3 Zn1 126.5(5) . . ?
C11 O3 Zn1 111.9(4) . 2_767 ?
Zn1 O3 Dy1 98.4(2) 2_767 . ?
Zn1 O3 Dy1 103.3(2) . . ?
Zn1 O3 Zn1 96.8(2) . 2_767 ?
C19 O4 Dy1 122.6(5) . . ?
C21 O4 C19 117.0(6) . . ?
C21 O4 Dy1 116.3(5) . . ?
C20 O5 Dy1 124.5(5) . . ?
C20 O5 Zn1 128.5(5) . . ?
Zn1 O5 Dy1 107.0(2) . . ?
C29 O6 Dy1 119.1(4) . 2_767 ?
C29 O6 Zn1 109.0(5) . . ?
Zn1 O6 Dy1 105.0(2) . 2_767 ?
C37 O7 Dy1 94.8(5) . . ?
C37 O8 Dy1 93.2(5) . . ?
C39 O9 H9A 104.5 . . ?
C39 O9 Zn1 129.6(5) . . ?
Zn1 O9 H9A 120.7 . . ?
Dy1 Zn1 Dy1 124.56(3) . 2_767 ?
N2 Zn1 Dy1 95.62(19) . 2_767 ?
N2 Zn1 Dy1 125.1(2) . . ?
N2 Zn1 O3 98.4(2) . 2_767 ?
N2 Zn1 O3 166.4(2) . . ?
N2 Zn1 O5 87.5(2) . . ?
N2 Zn1 O6 81.9(2) . . ?
N2 Zn1 O9 91.3(2) . . ?
O3 Zn1 Dy1 91.61(14) 2_767 . ?
O3 Zn1 Dy1 41.84(14) 2_767 2_767 ?
O3 Zn1 Dy1 94.46(14) . 2_767 ?
O3 Zn1 Dy1 41.25(14) . . ?
O3 Zn1 O3 83.2(2) . 2_767 ?
O3 Zn1 O9 88.4(2) . . ?
O5 Zn1 Dy1 131.00(14) . 2_767 ?
O5 Zn1 Dy1 38.58(14) . . ?
O5 Zn1 O3 89.3(2) . 2_767 ?
O5 Zn1 O3 79.0(2) . . ?
O5 Zn1 O9 95.2(2) . . ?
O6 Zn1 Dy1 152.93(14) . . ?
O6 Zn1 Dy1 40.51(14) . 2_767 ?
O6 Zn1 O3 111.7(2) . . ?
O6 Zn1 O3 81.7(2) . 2_767 ?
O6 Zn1 O5 164.9(2) . . ?
O6 Zn1 O9 95.8(2) . . ?
O9 Zn1 Dy1 86.04(16) . . ?
O9 Zn1 Dy1 133.46(16) . 2_767 ?
O9 Zn1 O3 169.55(19) . 2_767 ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
O10 C44 C45 125.5(12) . . ?
O10 C44 C46 124.6(13) . . ?
C46 C44 C45 109.4(14) . . ?
O10A C44A C45A 139.2(16) . . ?
O10A C44A C46A 127.7(17) . . ?
C46A C44A C45A 92.9(19) . . ?
C44A C45A H45D 109.5 . . ?
C44A C45A H45E 109.5 . . ?
C44A C45A H45F 109.5 . . ?
H45D C45A H45E 109.5 . . ?
H45D C45A H45F 109.5 . . ?
H45E C45A H45F 109.5 . . ?
C44A C46A H46D 119.6 . . ?
C44A C46A H46E 110.4 . . ?
C44A C46A H46F 97.6 . . ?
H46D C46A H46E 109.5 . . ?
H46D C46A H46F 109.5 . . ?
H46E C46A H46F 109.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O9 H9A O8 0.82 1.94 2.666(8) 148.0 . yes

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2 C3 C4 C5 -1.7(13) . . . . ?
C2 C3 O1 C1 -171.7(7) . . . . ?
C2 C7 C8 N1 3.1(14) . . . . ?
C3 C2 C7 C6 -4.0(12) . . . . ?
C3 C2 C7 C8 177.3(7) . . . . ?
C3 C2 O2 Dy1 -174.8(6) . . . . ?
C3 C4 C5 C6 -0.4(14) . . . . ?
C4 C3 O1 C1 5.5(12) . . . . ?
C4 C5 C6 C7 0.3(14) . . . . ?
C5 C6 C7 C2 2.0(13) . . . . ?
C5 C6 C7 C8 -179.3(8) . . . . ?
C6 C7 C8 N1 -175.5(8) . . . . ?
C7 C2 C3 C4 3.9(12) . . . . ?
C7 C2 C3 O1 -178.7(7) . . . . ?
C7 C2 O2 Dy1 0.8(13) . . . . ?
C7 C8 N1 C12 174.6(8) . . . . ?
C7 C8 N1 Dy1 -8.9(12) . . . . ?
C9 C10 C11 C12 3.2(11) . . . . ?
C9 C10 C11 O3 -176.4(7) . . . . ?
C9 C14 C15 C16 111.6(9) . . . . ?
C9 C14 C15 C17 -128.5(9) . . . . ?
C9 C14 C15 C18 -9.7(11) . . . . ?
C10 C9 C14 C13 -1.8(12) . . . . ?
C10 C9 C14 C15 179.6(7) . . . . ?
C10 C11 C12 C13 -0.8(11) . . . . ?
C10 C11 C12 N1 176.9(6) . . . . ?
C10 C11 O3 Dy1 -157.8(6) . . . . ?
C10 C11 O3 Zn1 90.9(7) . . . 2_767 ?
C10 C11 O3 Zn1 -26.3(10) . . . . ?
C11 C12 C13 C14 -3.0(12) . . . . ?
C11 C12 N1 C8 160.6(7) . . . . ?
C11 C12 N1 Dy1 -16.4(8) . . . . ?
C12 C11 O3 Dy1 22.5(8) . . . . ?
C12 C11 O3 Zn1 154.0(5) . . . . ?
C12 C11 O3 Zn1 -88.8(7) . . . 2_767 ?
C12 C13 C14 C9 4.3(12) . . . . ?
C12 C13 C14 C15 -177.0(7) . . . . ?
C13 C12 N1 C8 -21.9(11) . . . . ?
C13 C12 N1 Dy1 161.1(6) . . . . ?
C13 C14 C15 C16 -67.0(10) . . . . ?
C13 C14 C15 C17 52.8(10) . . . . ?
C13 C14 C15 C18 171.6(7) . . . . ?
C14 C9 C10 C11 -1.9(12) . . . . ?
C20 C21 C22 C23 3.5(13) . . . . ?
C20 C21 O4 C19 170.6(7) . . . . ?
C20 C21 O4 Dy1 12.8(8) . . . . ?
C20 C25 C26 N2 1.6(13) . . . . ?
C21 C20 C25 C24 5.4(11) . . . . ?
C21 C20 C25 C26 -177.4(8) . . . . ?
C21 C20 O5 Dy1 -13.4(9) . . . . ?
C21 C20 O5 Zn1 170.5(5) . . . . ?
C21 C22 C23 C24 -0.1(15) . . . . ?
C22 C21 O4 C19 -7.4(11) . . . . ?
C22 C21 O4 Dy1 -165.1(7) . . . . ?
C22 C23 C24 C25 -0.3(16) . . . . ?
C23 C24 C25 C20 -2.4(14) . . . . ?
C23 C24 C25 C26 -179.8(9) . . . . ?
C24 C25 C26 N2 178.9(8) . . . . ?
C25 C20 C21 C22 -6.1(12) . . . . ?
C25 C20 C21 O4 175.9(6) . . . . ?
C25 C20 O5 Dy1 169.9(5) . . . . ?
C25 C20 O5 Zn1 -6.2(11) . . . . ?
C25 C26 N2 C30 -176.4(7) . . . . ?
C25 C26 N2 Zn1 4.5(12) . . . . ?
C27 C28 C29 C30 -5.0(11) . . . . ?
C27 C28 C29 O6 175.2(7) . . . . ?
C27 C32 C33 C34 4.9(11) . . . . ?
C27 C32 C33 C35 122.4(9) . . . . ?
C27 C32 C33 C36 -115.0(9) . . . . ?
C28 C27 C32 C31 0.3(12) . . . . ?
C28 C27 C32 C33 179.3(7) . . . . ?
C28 C29 C30 C31 3.3(11) . . . . ?
C28 C29 C30 N2 -175.7(7) . . . . ?
C28 C29 O6 Dy1 -78.9(8) . . . 2_767 ?
C28 C29 O6 Zn1 160.8(6) . . . . ?
C29 C30 C31 C32 0.2(12) . . . . ?
C29 C30 N2 C26 -166.2(7) . . . . ?
C29 C30 N2 Zn1 13.2(8) . . . . ?
C30 C29 O6 Dy1 101.3(7) . . . 2_767 ?
C30 C29 O6 Zn1 -19.1(8) . . . . ?
C30 C31 C32 C27 -2.0(12) . . . . ?
C30 C31 C32 C33 178.9(7) . . . . ?
C31 C30 N2 C26 14.8(12) . . . . ?
C31 C30 N2 Zn1 -165.8(6) . . . . ?
C31 C32 C33 C34 -176.2(8) . . . . ?
C31 C32 C33 C35 -58.7(11) . . . . ?
C31 C32 C33 C36 64.0(10) . . . . ?
C32 C27 C28 C29 3.3(12) . . . . ?
C38 C37 O7 Dy1 -175.3(8) . . . . ?
C38 C37 O8 Dy1 175.3(8) . . . . ?
C40 C39 O9 Zn1 175.1(6) . . . . ?
N1 C12 C13 C14 179.5(7) . . . . ?
N2 C30 C31 C32 179.2(7) . . . . ?
O1 C3 C4 C5 -178.7(8) . . . . ?
O2 C2 C3 C4 179.7(7) . . . . ?
O2 C2 C3 O1 -2.9(10) . . . . ?
O2 C2 C7 C6 -179.6(7) . . . . ?
O2 C2 C7 C8 1.7(13) . . . . ?
O3 C11 C12 C13 178.8(6) . . . . ?
O3 C11 C12 N1 -3.5(10) . . . . ?
O4 C21 C22 C23 -178.7(8) . . . . ?
O5 C20 C21 C22 176.9(7) . . . . ?
O5 C20 C21 O4 -1.0(10) . . . . ?
O5 C20 C25 C24 -177.9(7) . . . . ?
O5 C20 C25 C26 -0.7(12) . . . . ?
O6 C29 C30 C31 -176.9(7) . . . . ?
O6 C29 C30 N2 4.1(10) . . . . ?
O7 C37 O8 Dy1 -3.6(8) . . . . ?
O8 C37 O7 Dy1 3.6(8) . . . . ?

# end Validation Reply Form
_olex2_submission_special_instructions 'No special instructions were received'
# start Validation Reply Form
_vrf_PLAT973_2                   
;
PROBLEM:  Check Calcd Positive Resid. Density on       Dy1       2.68 eA-3 
RESPONSE: High residual density is caused by truncation effects
of heavy metal atoms (Dy/Zn), which is derived from the
low-intensity diffraction at high angle.
;
