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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 2078250'
loop_
_audit_author_name
_audit_author_address
'Zhenhua Zhu Chen Zhao '
;CIAC
China
;
_audit_update_record             
;
2021-04-17 deposited with the CCDC.	2022-05-31 downloaded from the CCDC.
;
_audit_creation_date             2021-04-16
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        Dy2_Me_R
_chemical_formula_moiety         '2(C33 H38 Dy N6 O2), 2(C24 H20 B)'
_chemical_formula_sum            'C114 H116 B2 Dy2 N12 O4'
_chemical_formula_weight         2064.80
_chemical_absolute_configuration AD
_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'
B B 0.0013 0.0007 '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           5
_space_group_name_H-M_alt        'C 1 2 1'
_space_group_name_Hall           'C 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   24.4235(7)
_cell_length_b                   16.4538(5)
_cell_length_c                   25.1367(7)
_cell_angle_alpha                90
_cell_angle_beta                 103.2100(10)
_cell_angle_gamma                90
_cell_volume                     9834.1(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9896
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.38
_shelx_estimated_absorpt_T_max   0.969
_shelx_estimated_absorpt_T_min   0.966
_exptl_absorpt_coefficient_mu    1.568
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6682
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0697 before and 0.0564 after correction.
The Ratio of minimum to maximum transmission is 0.8967.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4232
_exptl_crystal_size_max          0.022
_exptl_crystal_size_mid          0.022
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0296
_diffrn_reflns_av_unetI/netI     0.0380
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            50009
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.034
_diffrn_reflns_theta_max         25.034
_diffrn_reflns_theta_min         2.068
_diffrn_ambient_temperature      180.0
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_reflns_Friedel_coverage         0.920
_reflns_Friedel_fraction_full    0.989
_reflns_Friedel_fraction_max     0.989
_reflns_number_gt                15465
_reflns_number_total             17293
_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 V8.40A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.161
_refine_diff_density_min         -0.742
_refine_diff_density_rms         0.089
_refine_ls_abs_structure_details 
;
 Flack x determined using 6770 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.002(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1191
_refine_ls_number_reflns         17293
_refine_ls_number_restraints     452
_refine_ls_R_factor_all          0.0478
_refine_ls_R_factor_gt           0.0404
_refine_ls_restrained_S_all      1.054
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0522P)²+39.4941P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1017
_refine_ls_wR_factor_ref         0.1089
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Sof: O2(0.5) H2(0.5) O3(0.5) H3(0.5)
 Fixed U11: O2(0.027985) O3(0.030846) O5(0.032115)
 Fixed U12: O2(0) O3(0) O5(0.000146)
 Fixed U13: O2(-0.000556) O3(-0.00311) O5(-0.00261)
 Fixed U22: O2(0.032) O3(0.032) O5(0.069)
 Fixed U23: O2(0) O3(0) O5(-0.005)
 Fixed U33: O2(0.033) O3(0.022) O5(0.033)
 Fixed Uiso: O2(0.031) H2(0.05) O3(0.028) H3(0.05) O5(0.045) H5(0.05)
 H2A(0.058) H3A(0.059) H6(0.069) H8(0.067) H9(0.06) H10(0.038) H11(0.054)
 H12(0.04) H14(0.039) H15(0.061) H17(0.063) H18(0.077) H20A(0.06) H20B(0.06)
 H22(0.054) H23(0.056) H24(0.078) H25(0.058) H26(0.07) H27(0.091) H28A(0.047)
 H28B(0.047) H29A(0.104) H29B(0.104) H29C(0.104) H31A(0.088) H31B(0.088)
 H32(0.06) H33(0.074) H34(0.053) H35(0.048) H36(0.059) H37(0.047) H39(0.043)
 H40(0.065) H42A(0.106) H42B(0.106) H42C(0.106) H43(0.055) H44(0.114)
 H45(0.064) H47(0.082) H48(0.057) H50(0.103) H51(0.05) H54(0.044) H55(0.06)
 H56A(0.056) H56B(0.056) H57A(0.056) H57B(0.056) H58(0.062) H59(0.099)
 H60(0.075) H61(0.053) H62(0.082) H63A(0.046) H63B(0.046) H64A(0.073)
 H64B(0.073) H65(0.066) H66A(0.069) H66B(0.069) H67(0.102) H69(0.047) H70(0.07)
 H71(0.092) H73(0.047) H74(0.087) H75(0.07) H76(0.084) H77A(0.097) H77B(0.097)
 H78(0.089) H79(0.056) H80(0.125) H81(0.109) H82(0.083) H83(0.093) H85(0.127)
 H86(0.107) H87A(0.072) H87B(0.072) H88(0.121) H89(0.112) H90(0.109)
 H91A(0.137) H91B(0.137) H92(0.072) H93(0.116) H94(0.109) H95(0.076) H96(0.12)
 H97(0.114) H98A(0.133) H98B(0.133) H99A(0.112) H99B(0.112) H100(0.106)
 H102(0.078) H10A(0.11) H10B(0.11) H104(0.122) H105(0.129) H10C(0.13)
 H10D(0.13) H107(0.112) H10E(0.118) H10F(0.118) H110(0.113) H111(0.119)
 H112(0.118) H113(0.13) H114(0.128)
 Fixed X: O2(1) H2(1) O3(1) H3(1) O5(0.95596) H5(0.92679) H2A(1.242712)
 H3A(1.185762) H6(1.186057) H8(0.821353) H9(1.256055) H10(1.028488)
 H11(1.069094) H12(0.927765) H14(0.99069) H15(1.136031) H17(1.242828)
 H18(0.886266) H20A(0.831148) H20B(0.856682) H22(1.166364) H23(0.458921)
 H24(1.00304) H25(1.038867) H26(1.08383) H27(1.062989) H28A(0.996019)
 H28B(0.960065) H29A(0.699791) H29B(0.703525) H29C(0.74005) H31A(1.135602)
 H31B(1.117194) H32(1.006915) H33(0.950314) H34(1.118271) H35(1.04491)
 H36(0.93872) H37(1.196292) H39(0.903714) H40(1.195299) H42A(1.312217)
 H42B(1.276397) H42C(1.269253) H43(1.009802) H44(0.61122) H45(1.063267)
 H47(1.086294) H48(1.047671) H50(1.23868) H51(0.905056) H54(1.071108)
 H55(0.54608) H56A(0.90027) H56B(0.918145) H57A(1.167447) H57B(1.209764)
 H58(0.384138) H59(0.538773) H60(0.889127) H61(1.167428) H62(1.075542)
 H63A(0.851486) H63B(0.888256) H64A(1.193645) H64B(1.127435) H65(0.747408)
 H66A(1.09068) H66B(1.134961) H67(0.489693) H69(1.089217) H70(1.024424)
 H71(1.224217) H73(1.185537) H74(1.161678) H75(1.187796) H76(0.950699)
 H77A(1.043303) H77B(1.02599) H78(0.524238) H79(1.110608) H80(0.94966)
 H81(0.53885) H82(0.916684) H83(1.224829) H85(0.737232) H86(0.399932)
 H87A(1.210347) H87B(1.167915) H88(0.667318) H89(0.641882) H90(0.563108)
 H91A(0.789305) H91B(0.777806) H92(1.163778) H93(0.621533) H94(0.783164)
 H95(0.813158) H96(0.762511) H97(0.833518) H98A(0.816729) H98B(0.767174)
 H99A(1.119864) H99B(1.137289) H100(0.91962) H102(1.20238) H10A(1.105)
 H10B(1.166555) H104(0.672974) H105(0.726086) H10C(0.861358) H10D(0.877112)
 H107(0.678516) H10E(0.940218) H10F(0.88758) H110(0.746668) H111(0.712601)
 H112(0.850797) H113(0.70481) H114(0.685778)
 Fixed Y: O2(0.62842) H2(0.574) O3(0.78097) H3(0.83349) O5(0.32341)
 H5(0.32332) H2A(0.826751) H3A(0.561238) H6(0.176947) H8(0.231511) H9(0.775899)
 H10(0.072854) H11(0.437452) H12(0.835552) H14(0.88313) H15(-0.111427)
 H17(0.958162) H18(0.291899) H20A(0.952282) H20B(0.942382) H22(0.996569)
 H23(0.243975) H24(0.619919) H25(0.218587) H26(0.301326) H27(0.577897)
 H28A(1.011437) H28B(0.979067) H29A(0.322887) H29B(0.418733) H29C(0.377959)
 H31A(0.195838) H31B(0.187697) H32(0.235305) H33(0.267303) H34(0.580268) H35(-
 0.057457) H36(0.444881) H37(0.693827) H39(0.716447) H40(0.218491)
 H42A(0.649363) H42B(0.697904) H42C(0.601598) H43(0.405252) H44(0.167112)
 H45(0.172061) H47(0.442982) H48(0.113248) H50(0.280229) H51(0.580032)
 H54(0.964094) H55(0.281434) H56A(1.051805) H56B(0.995124) H57A(0.594932)
 H57B(0.567405) H58(0.239484) H59(0.57769) H60(0.440674) H61(0.531933)
 H62(0.091902) H63A(0.812011) H63B(0.843305) H64A(0.456251) H64B(0.461482)
 H65(0.249145) H66A(0.419539) H66B(0.397338) H67(0.302762) H69(0.569387)
 H70(0.155901) H71(0.416762) H73(0.79891) H74(0.138877) H75(0.0766)
 H76(0.587024) H77A(0.031404) H77B(0.027521) H78(0.44892) H79(0.349467)
 H80(0.061324) H81(0.392349) H82(0.278083) H83(0.194208) H85(0.211063)
 H86(0.268753) H87A(0.419267) H87B(0.355593) H88(0.062053) H89(0.323187)
 H90(0.405072) H91A(0.605638) H91B(0.584227) H92(0.448862) H93(0.640813)
 H94(0.343546) H95(0.460385) H96(0.067005) H97(0.494556) H98A(0.452711)
 H98B(0.465597) H99A(-0.018624) H99B(0.063903) H100(0.473003) H102(-0.050942)
 H10A(0.050535) H10B(0.073683) H104(0.314331) H105(0.085138) H10C(0.664505)
 H10D(0.576333) H107(0.2709) H10E(0.611854) H10F(0.620937) H110(0.201345)
 H111(0.322164) H112(0.023817) H113(0.543091) H114(0.418453)
 Fixed Z: O2(0.5) H2(0.5) O3(0.5) H3(0.5) O5(-0.03674) H5(-0.0625)
 H2A(0.580608) H3A(0.287982) H6(0.312851) H8(0.109205) H9(0.3452) H10(0.299795)
 H11(0.435952) H12(0.412889) H14(0.334463) H15(0.291498) H17(0.542267)
 H18(0.285164) H20A(0.315397) H20B(0.379667) H22(0.471699) H23(-0.285812)
 H24(0.159432) H25(0.26994) H26(0.21253) H27(0.240846) H28A(0.376597)
 H28B(0.418146) H29A(0.210224) H29B(0.20082) H29C(0.255269) H31A(0.161363)
 H31B(0.218199) H32(0.418151) H33(0.230597) H34(0.337869) H35(0.269827)
 H36(0.26584) H37(0.58318) H39(0.308388) H40(0.450974) H42A(0.307434)
 H42B(0.255942) H42C(0.260158) H43(0.341093) H44(-0.108162) H45(0.073521)
 H47(0.251806) H48(0.447499) H50(0.284369) H51(0.26168) H54(0.411785) H55(-
 0.236946) H56A(0.347296) H56B(0.30225) H57A(0.636007) H57B(0.599022) H58(-
 0.243942) H59(-0.218067) H60(0.173789) H61(0.497722) H62(0.542336)
 H63A(0.337946) H63B(0.296651) H64A(0.65522) H64B(0.62905) H65(0.153269)
 H66A(0.529611) H66B(0.493744) H67(-0.101215) H69(0.562655) H70(0.172499)
 H71(0.304066) H73(0.388247) H74(0.591039) H75(0.390386) H76(0.064703)
 H77A(0.060606) H77B(0.11831) H78(-0.189466) H79(0.384654) H80(0.062516) H81(-
 0.054674) H82(0.379237) H83(0.542909) H85(-0.21667) H86(-0.15125)
 H87A(0.568727) H87B(0.586175) H88(-0.125622) H89(0.087227) H90(0.04131) H91A(-
 0.059762) H91B(-0.123552) H92(0.357388) H93(-0.180853) H94(-0.046603)
 H95(0.214266) H96(-0.033541) H97(0.012309) H98A(-0.103109) H98B(-0.071657)
 H99A(0.130153) H99B(0.104438) H100(-0.046994) H102(0.36049) H10A(0.206829)
 H10B(0.199543) H104(-0.20542) H105(-0.183768) H10C(-0.097839) H10D(-0.117357)
 H107(-0.050498) H10E(-0.031265) H10F(-0.003626) H110(-0.05779) H111(0.038957)
 H112(0.015809) H113(-0.174328) H114(-0.130235)
;
_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
Dy1 Dy 1.04709(2) 0.70530(2) 0.44875(2) 0.02830(11) Uani 1 1 d . . . . .
Dy2 Dy 0.95636(2) 0.32218(3) 0.05419(2) 0.04134(17) Uani 1 1 d . . . . .
O2 O 1.000000 0.628420 0.500000 0.031 Uani 1 2 d S T P . .
H2 H 1.000000 0.574000 0.500000 0.050 Uiso 1 2 d S T P . .
O1 O 1.1017(2) 0.7034(6) 0.3933(2) 0.0364(13) Uani 1 1 d . . . . .
N11 N 1.0338(4) 0.2700(7) 0.1448(4) 0.054(3) Uani 1 1 d . . . . .
O4 O 0.9063(3) 0.3233(8) 0.1134(3) 0.062(2) Uani 1 1 d . . . . .
N3 N 0.9987(3) 0.5939(6) 0.3768(3) 0.0329(17) Uani 1 1 d . . . . .
O3 O 1.000000 0.780970 0.500000 0.028 Uani 1 2 d DS T P . .
H3 H 1.000000 0.833490 0.500000 0.050 Uiso 1 2 d DS T P . .
N1 N 1.0348(3) 0.8594(5) 0.4115(3) 0.0307(16) Uani 1 1 d . . . . .
N6 N 1.1245(3) 0.8132(5) 0.4900(3) 0.0305(16) Uani 1 1 d . . . . .
O5 O 0.955960 0.323410 -0.036740 0.045 Uani 1 1 d . . . . .
H5 H 0.926790 0.323320 -0.062500 0.050 Uiso 1 1 d . . . . .
C1 C 1.0339(4) 0.2185(6) 0.3497(4) 0.039(2) Uani 1 1 d . . . . .
N4 N 1.0860(3) 0.5467(5) 0.4592(3) 0.0384(18) Uani 1 1 d . . . . .
C2 C 1.2130(4) 0.8436(8) 0.5513(4) 0.049(3) Uani 1 1 d . . . . .
H2A H 1.242712 0.826751 0.580608 0.058 Uiso 1 1 calc R . . . .
C3 C 1.1866(5) 0.6091(8) 0.3093(5) 0.049(3) Uani 1 1 d . . . . .
H3A H 1.185762 0.561238 0.287982 0.059 Uiso 1 1 calc R . . . .
N5 N 1.1273(3) 0.6629(5) 0.5333(3) 0.0362(17) Uani 1 1 d . . . . .
C4 C 1.2295(5) 0.6653(8) 0.3110(5) 0.049(3) Uani 1 1 d . . . . .
N12 N 1.0094(4) 0.4299(7) 0.1287(4) 0.047(2) Uani 1 1 d . . . . .
C5 C 1.1159(4) 0.1749(6) 0.4387(4) 0.040(2) Uani 1 1 d . . . . .
C6 C 1.1804(5) 0.2320(8) 0.3217(4) 0.057(3) Uani 1 1 d . . . . .
H6 H 1.186057 0.176947 0.312851 0.069 Uiso 1 1 calc R . . . .
C7 C 0.8620(3) 0.3369(9) 0.1361(4) 0.045(3) Uani 1 1 d . . . . .
C8 C 0.8201(6) 0.2787(8) 0.1307(5) 0.056(3) Uani 1 1 d . . . . .
H8 H 0.821353 0.231511 0.109205 0.067 Uiso 1 1 calc R . . . .
C9 C 1.2272(5) 0.7364(8) 0.3424(5) 0.050(3) Uani 1 1 d . . . . .
H9 H 1.256055 0.775899 0.345200 0.060 Uiso 1 1 calc R . . . .
N9 N 0.8765(4) 0.2169(10) 0.0134(5) 0.076(3) Uani 1 1 d . U . . .
C10 C 1.0649(4) 0.0498(6) 0.3115(4) 0.0321(19) Uani 1 1 d . . . . .
H10 H 1.028488 0.072854 0.299795 0.038 Uiso 1 1 calc R . . . .
N7 N 0.9422(4) 0.4775(7) 0.0344(4) 0.055(2) Uani 1 1 d . . . . .
C11 C 1.0607(5) 0.4932(7) 0.4283(5) 0.045(3) Uani 1 1 d . . . . .
H11 H 1.069094 0.437452 0.435952 0.054 Uiso 1 1 calc R . . . .
C12 C 0.9358(3) 0.8282(5) 0.3759(3) 0.0333(18) Uani 1 1 d . . . . .
H12 H 0.927765 0.835552 0.412889 0.040 Uiso 1 1 calc R . . . .
C13 C 1.0167(4) 0.5176(6) 0.3787(4) 0.033(2) Uani 1 1 d . . . . .
C14 C 0.9837(4) 0.8872(5) 0.3721(4) 0.0322(18) Uani 1 1 d . . . . .
H14 H 0.990690 0.883130 0.334463 0.039 Uiso 1 1 calc R . . . .
C15 C 1.1277(5) -0.0622(7) 0.3078(4) 0.051(3) Uani 1 1 d . . . . .
H15 H 1.136031 -0.111427 0.291498 0.061 Uiso 1 1 calc R . . . .
C16 C 1.1698(4) 0.7924(7) 0.5302(4) 0.039(2) Uani 1 1 d . . . . .
C17 C 1.2127(4) 0.9215(8) 0.5291(5) 0.053(3) Uani 1 1 d . . . . .
H17 H 1.242828 0.958162 0.542267 0.063 Uiso 1 1 calc R . . . .
N2 N 0.9574(3) 0.7449(5) 0.3737(3) 0.0309(17) Uani 1 1 d . . . . .
C18 C 0.9236(5) 0.2750(8) 0.3010(7) 0.064(4) Uani 1 1 d . . . . .
H18 H 0.886266 0.291899 0.285164 0.077 Uiso 1 1 calc R . . . .
C19 C 1.1062(4) 0.0941(6) 0.3462(4) 0.0337(19) Uani 1 1 d . . . . .
B1 B 1.0994(5) 0.1851(7) 0.3712(5) 0.035(3) Uani 1 1 d . . . . .
C20 C 0.8654(4) 0.9378(7) 0.3432(5) 0.050(3) Uani 1 1 d . . . . .
H20A H 0.831148 0.952282 0.315397 0.060 Uiso 1 1 calc R . . . .
H20B H 0.856682 0.942382 0.379667 0.060 Uiso 1 1 calc R . . . .
N10 N 0.9802(4) 0.1681(6) 0.0661(4) 0.051(2) Uani 1 1 d . . . . .
C21 C 0.6366(6) 0.2610(14) -0.1522(6) 0.084(4) Uani 1 1 d . U . . .
C22 C 1.1679(4) 0.9440(7) 0.4876(4) 0.045(2) Uani 1 1 d . . . . .
H22 H 1.166364 0.996569 0.471699 0.054 Uiso 1 1 calc R . . . .
C23 C 0.4642(4) 0.2567(7) -0.2481(4) 0.047(3) Uani 1 1 d . . . . .
H23 H 0.458921 0.243975 -0.285812 0.056 Uiso 1 1 calc R . . . .
C24 C 1.0145(6) 0.5647(10) 0.1643(6) 0.065(4) Uani 1 1 d . . . . .
H24 H 1.003040 0.619919 0.159432 0.078 Uiso 1 1 calc R . . . .
C25 C 1.0141(4) 0.2306(6) 0.2930(5) 0.048(3) Uani 1 1 d . . . . .
H25 H 1.038867 0.218587 0.269940 0.058 Uiso 1 1 calc R . . . .
C26 C 1.0570(5) 0.3201(10) 0.1814(4) 0.058(3) Uani 1 1 d . . . . .
H26 H 1.083830 0.301326 0.212530 0.070 Uiso 1 1 calc R . . . .
C27 C 1.0491(7) 0.5400(12) 0.2124(6) 0.076(4) Uani 1 1 d . . . . .
H27 H 1.062989 0.577897 0.240846 0.091 Uiso 1 1 calc R . . . .
C28 C 0.9658(4) 0.9734(6) 0.3806(4) 0.039(2) Uani 1 1 d . . . . .
H28A H 0.996019 1.011437 0.376597 0.047 Uiso 1 1 calc R . . . .
H28B H 0.960065 0.979067 0.418146 0.047 Uiso 1 1 calc R . . . .
C29 C 0.7248(6) 0.3703(10) 0.2160(6) 0.070(4) Uani 1 1 d . . . . .
H29A H 0.699791 0.322887 0.210224 0.104 Uiso 1 1 calc GR . . . .
H29B H 0.703525 0.418733 0.200820 0.104 Uiso 1 1 calc GR . . . .
H29C H 0.740050 0.377959 0.255269 0.104 Uiso 1 1 calc GR . . . .
C30 C 0.8835(6) 0.1377(13) 0.0248(7) 0.087(3) Uani 1 1 d . U . . .
C31 C 1.1106(6) 0.1661(9) 0.1805(6) 0.074(4) Uani 1 1 d . . . . .
H31A H 1.135602 0.195838 0.161363 0.088 Uiso 1 1 calc R . . . .
H31B H 1.117194 0.187697 0.218199 0.088 Uiso 1 1 calc R . . . .
C32 C 0.9958(4) 0.2393(7) 0.3795(5) 0.050(3) Uani 1 1 d . . . . .
H32 H 1.006915 0.235305 0.418151 0.060 Uiso 1 1 calc R . . . .
C33 C 0.9609(5) 0.2590(7) 0.2690(6) 0.061(4) Uani 1 1 d . . . . .
H33 H 0.950314 0.267303 0.230597 0.074 Uiso 1 1 calc R . . . .
C34 C 1.1455(5) 0.6214(7) 0.3376(4) 0.044(3) Uani 1 1 d . . . . .
H34 H 1.118271 0.580268 0.337869 0.053 Uiso 1 1 calc R . . . .
C35 C 1.0747(4) -0.0282(6) 0.2928(4) 0.040(2) Uani 1 1 d . . . . .
H35 H 1.044910 -0.057457 0.269827 0.048 Uiso 1 1 calc R . . . .
C36 C 0.9538(5) 0.4825(7) 0.2941(5) 0.049(3) Uani 1 1 d . . . . .
H36 H 0.938720 0.444881 0.265840 0.059 Uiso 1 1 calc R . . . .
C37 C 1.1674(3) 0.7109(7) 0.5531(3) 0.039(2) Uani 1 1 d . . . . .
H37 H 1.196292 0.693827 0.583180 0.047 Uiso 1 1 calc R . . . .
C38 C 1.1407(4) 0.2516(6) 0.3517(4) 0.034(2) Uani 1 1 d . . . . .
C39 C 0.9349(3) 0.6984(7) 0.3358(4) 0.036(2) Uani 1 1 d . . . . .
H39 H 0.903714 0.716447 0.308388 0.043 Uiso 1 1 calc R . . . .
C40 C 1.1696(4) 0.1941(8) 0.4694(4) 0.054(3) Uani 1 1 d . . . . .
H40 H 1.195299 0.218491 0.450974 0.065 Uiso 1 1 calc R . . . .
C41 C 0.9571(4) 0.6146(7) 0.3335(4) 0.038(2) Uani 1 1 d . . . . .
C42 C 1.2759(6) 0.6524(10) 0.2810(6) 0.070(4) Uani 1 1 d . . . . .
H42A H 1.312217 0.649363 0.307434 0.106 Uiso 1 1 calc GR . . . .
H42B H 1.276397 0.697904 0.255942 0.106 Uiso 1 1 calc GR . . . .
H42C H 1.269253 0.601598 0.260158 0.106 Uiso 1 1 calc GR . . . .
N8 N 0.8556(4) 0.3797(8) -0.0064(4) 0.069(3) Uani 1 1 d . . . . .
C43 C 0.9956(5) 0.4592(7) 0.3381(5) 0.046(3) Uani 1 1 d . . . . .
H43 H 1.009802 0.405252 0.341093 0.055 Uiso 1 1 calc R . . . .
C44 C 0.6363(7) 0.1781(13) -0.1311(8) 0.095(4) Uani 1 1 d . U . . .
H44 H 0.611220 0.167112 -0.108162 0.114 Uiso 1 1 calc R . . . .
C45 C 1.0372(5) 0.1459(7) 0.0938(5) 0.054(3) Uani 1 1 d . . . . .
H45 H 1.063267 0.172061 0.073521 0.064 Uiso 1 1 calc R . . . .
C46 C 1.0428(5) 0.4065(8) 0.1762(5) 0.050(3) Uani 1 1 d . . . . .
C47 C 1.0628(6) 0.4616(11) 0.2185(5) 0.068(4) Uani 1 1 d . . . . .
H47 H 1.086294 0.442982 0.251806 0.082 Uiso 1 1 calc R . . . .
C48 C 1.0831(5) 0.1334(6) 0.4668(5) 0.048(3) Uani 1 1 d . . . . .
H48 H 1.047671 0.113248 0.447499 0.057 Uiso 1 1 calc R . . . .
C49 C 0.5307(4) 0.2969(7) -0.1636(4) 0.042(3) Uani 1 1 d . . . . .
C50 C 1.2116(5) 0.2937(12) 0.3047(5) 0.086(6) Uani 1 1 d . . . . .
H50 H 1.238680 0.280229 0.284369 0.103 Uiso 1 1 calc R . . . .
C51 C 0.9339(5) 0.5622(7) 0.2915(4) 0.042(3) Uani 1 1 d . . . . .
H51 H 0.905056 0.580032 0.261680 0.050 Uiso 1 1 calc R . . . .
C52 C 1.1241(4) 0.8873(6) 0.4693(4) 0.037(2) Uani 1 1 d . . . . .
C53 C 0.7712(4) 0.3571(9) 0.1886(4) 0.048(3) Uani 1 1 d . . . . .
C54 C 1.0740(4) 0.9110(6) 0.4271(4) 0.037(2) Uani 1 1 d . . . . .
H54 H 1.071108 0.964094 0.411785 0.044 Uiso 1 1 calc R . . . .
C55 C 0.5167(4) 0.2787(8) -0.2179(4) 0.050(3) Uani 1 1 d . . . . .
H55 H 0.546080 0.281434 -0.236946 0.060 Uiso 1 1 calc R . . . .
C56 C 0.9116(4) 0.9960(6) 0.3397(4) 0.047(2) Uani 1 1 d . . . . .
H56A H 0.900270 1.051805 0.347296 0.056 Uiso 1 1 calc R . . . .
H56B H 0.918145 0.995124 0.302250 0.056 Uiso 1 1 calc R . . . .
C57 C 1.1718(4) 0.5587(7) 0.6058(4) 0.047(2) Uani 1 1 d . . . . .
H57A H 1.167447 0.594932 0.636007 0.056 Uiso 1 1 calc R . . . .
H57B H 1.209764 0.567405 0.599022 0.056 Uiso 1 1 calc R . . . .
C58 C 0.4207(5) 0.2535(8) -0.2237(5) 0.051(3) Uani 1 1 d . . . . .
H58 H 0.384138 0.239484 -0.243942 0.062 Uiso 1 1 calc R . . . .
C59 C 0.5696(7) 0.5487(10) -0.1964(6) 0.083(3) Uani 1 1 d . U . . .
H59 H 0.538773 0.577690 -0.218067 0.099 Uiso 1 1 calc R . . . .
C60 C 0.8597(5) 0.4017(10) 0.1681(6) 0.063(4) Uani 1 1 d . . . . .
H60 H 0.889127 0.440674 0.173789 0.075 Uiso 1 1 calc R . . . .
C61 C 1.1303(4) 0.5222(6) 0.5070(4) 0.044(2) Uani 1 1 d . . . . .
H61 H 1.167428 0.531933 0.497722 0.053 Uiso 1 1 calc R . . . .
C62 C 1.1001(6) 0.1194(8) 0.5240(5) 0.068(4) Uani 1 1 d . . . . .
H62 H 1.075542 0.091902 0.542336 0.082 Uiso 1 1 calc R . . . .
C63 C 0.8821(3) 0.8494(6) 0.3340(4) 0.038(2) Uani 1 1 d . . . . .
H63A H 0.851486 0.812011 0.337946 0.046 Uiso 1 1 calc R . . . .
H63B H 0.888256 0.843305 0.296651 0.046 Uiso 1 1 calc R . . . .
C64 C 1.1651(5) 0.4695(7) 0.6215(4) 0.061(3) Uani 1 1 d . . . . .
H64A H 1.193645 0.456251 0.655220 0.073 Uiso 1 1 calc R . . . .
H64B H 1.127435 0.461482 0.629050 0.073 Uiso 1 1 calc R . . . .
C65 C 0.7756(5) 0.2899(9) 0.1572(5) 0.055(3) Uani 1 1 d . . . . .
H65 H 0.747408 0.249145 0.153269 0.066 Uiso 1 1 calc R . . . .
C66 C 1.1285(5) 0.4322(7) 0.5238(5) 0.057(3) Uani 1 1 d . . . . .
H66A H 1.090680 0.419539 0.529611 0.069 Uiso 1 1 calc R . . . .
H66B H 1.134961 0.397338 0.493744 0.069 Uiso 1 1 calc R . . . .
C67 C 0.4842(5) 0.2918(11) -0.1392(5) 0.085(5) Uani 1 1 d . . . . .
H67 H 0.489693 0.302762 -0.101215 0.102 Uiso 1 1 calc R . . . .
C68 C 0.9966(5) 0.5097(9) 0.1234(6) 0.060(3) Uani 1 1 d . . . . .
C69 C 1.1267(4) 0.5784(6) 0.5540(3) 0.039(2) Uani 1 1 d . . . . .
H69 H 1.089217 0.569387 0.562655 0.047 Uiso 1 1 calc R . . . .
C70 C 1.0494(5) 0.1828(7) 0.1514(5) 0.058(3) Uani 1 1 d . . . . .
H70 H 1.024424 0.155901 0.172499 0.070 Uiso 1 1 calc R . . . .
C71 C 1.2038(6) 0.3752(10) 0.3172(6) 0.077(5) Uani 1 1 d . . . . .
H71 H 1.224217 0.416762 0.304066 0.092 Uiso 1 1 calc R . . . .
C72 C 0.6024(6) 0.4205(10) -0.1521(6) 0.080(3) Uani 1 1 d . U . . .
C73 C 1.1855(4) 0.7499(7) 0.3683(4) 0.039(2) Uani 1 1 d . . . . .
H73 H 1.185537 0.798910 0.388247 0.047 Uiso 1 1 calc R . . . .
C74 C 1.1511(6) 0.1449(9) 0.5525(5) 0.073(4) Uani 1 1 d . . . . .
H74 H 1.161678 0.138877 0.591039 0.087 Uiso 1 1 calc R . . . .
B2 B 0.5936(5) 0.3264(10) -0.1334(5) 0.055(3) Uani 1 1 d . . . . .
C75 C 1.1584(5) 0.0511(8) 0.3644(5) 0.058(3) Uani 1 1 d . . . . .
H75 H 1.187796 0.076600 0.390386 0.070 Uiso 1 1 calc R . . . .
C76 C 0.9609(6) 0.5317(10) 0.0718(6) 0.070(4) Uani 1 1 d . . . . .
H76 H 0.950699 0.587024 0.064703 0.084 Uiso 1 1 calc R . . . .
C77 C 1.0507(7) 0.0551(9) 0.0978(6) 0.081(4) Uani 1 1 d . . . . .
H77A H 1.043303 0.031404 0.060606 0.097 Uiso 1 1 calc R . . . .
H77B H 1.025990 0.027521 0.118310 0.097 Uiso 1 1 calc R . . . .
C78 C 0.5614(6) 0.4699(9) -0.1802(6) 0.075(3) Uani 1 1 d . U . . .
H78 H 0.524238 0.448920 -0.189466 0.089 Uiso 1 1 calc R . . . .
C79 C 1.1367(4) 0.3341(7) 0.3637(5) 0.047(3) Uani 1 1 d . . . . .
H79 H 1.110608 0.349467 0.384654 0.056 Uiso 1 1 calc R . . . .
C80 C 0.9413(9) 0.1166(12) 0.0533(7) 0.104(7) Uani 1 1 d . . . . .
H80 H 0.949660 0.061324 0.062516 0.125 Uiso 1 1 calc R . . . .
C81 C 0.5732(7) 0.3690(12) -0.0352(6) 0.091(3) Uani 1 1 d . U . . .
H81 H 0.538850 0.392349 -0.054674 0.109 Uiso 1 1 calc R . . . .
C82 C 0.9416(5) 0.2660(8) 0.3563(7) 0.069(4) Uani 1 1 d . . . . .
H82 H 0.916684 0.278083 0.379237 0.083 Uiso 1 1 calc R . . . .
C83 C 1.1877(6) 0.1800(9) 0.5243(5) 0.078(4) Uani 1 1 d . . . . .
H83 H 1.224829 0.194208 0.542909 0.093 Uiso 1 1 calc R . . . .
C84 C 0.6077(5) 0.3294(10) -0.0666(5) 0.068(3) Uani 1 1 d . U . . .
C85 C 0.7099(7) 0.2012(18) -0.1960(7) 0.106(4) Uani 1 1 d . U . . .
H85 H 0.737232 0.211063 -0.216670 0.127 Uiso 1 1 calc R . . . .
C86 C 0.4302(5) 0.2709(12) -0.1691(6) 0.089(6) Uani 1 1 d . . . . .
H86 H 0.399932 0.268753 -0.151250 0.107 Uiso 1 1 calc R . . . .
C87 C 1.1722(5) 0.4127(7) 0.5755(5) 0.060(3) Uani 1 1 d . . . . .
H87A H 1.210347 0.419267 0.568727 0.072 Uiso 1 1 calc R . . . .
H87B H 1.167915 0.355593 0.586175 0.072 Uiso 1 1 calc R . . . .
C88 C 0.6693(7) 0.1141(15) -0.1414(8) 0.101(4) Uani 1 1 d . U . . .
H88 H 0.667318 0.062053 -0.125622 0.121 Uiso 1 1 calc R . . . .
C89 C 0.6360(7) 0.3374(12) 0.0497(6) 0.093(3) Uani 1 1 d . U . . .
H89 H 0.641882 0.323187 0.087227 0.112 Uiso 1 1 calc R . . . .
C90 C 0.5864(7) 0.3760(12) 0.0224(6) 0.091(3) Uani 1 1 d . U . . .
H90 H 0.563108 0.405072 0.041310 0.109 Uiso 1 1 calc R . . . .
C91 C 0.8037(7) 0.5749(13) -0.0876(7) 0.114(4) Uani 1 1 d . U . . .
H91A H 0.789305 0.605638 -0.059762 0.137 Uiso 1 1 calc R . . . .
H91B H 0.777806 0.584227 -0.123552 0.137 Uiso 1 1 calc R . . . .
C92 C 1.1679(5) 0.3940(9) 0.3472(6) 0.060(4) Uani 1 1 d . . . . .
H92 H 1.163778 0.448862 0.357388 0.072 Uiso 1 1 calc R . . . .
C93 C 0.6179(7) 0.5833(12) -0.1826(7) 0.097(4) Uani 1 1 d . U . . .
H93 H 0.621533 0.640813 -0.180853 0.116 Uiso 1 1 calc R . . . .
C94 C 0.8181(5) 0.3256(13) -0.0248(6) 0.091(5) Uani 1 1 d . . . . .
H94 H 0.783164 0.343546 -0.046603 0.109 Uiso 1 1 calc R . . . .
C95 C 0.8142(6) 0.4127(9) 0.1932(6) 0.064(4) Uani 1 1 d . . . . .
H95 H 0.813158 0.460385 0.214266 0.076 Uiso 1 1 calc R . . . .
C96 C 0.7917(7) 0.1057(15) -0.0222(8) 0.100(4) Uani 1 1 d . U . . .
H96 H 0.762511 0.067005 -0.033541 0.120 Uiso 1 1 calc R . . . .
C97 C 0.8479(6) 0.4683(12) -0.0177(6) 0.095(3) Uani 1 1 d . U . . .
H97 H 0.833518 0.494556 0.012309 0.114 Uiso 1 1 calc R . . . .
C98 C 0.8052(6) 0.4840(13) -0.0739(7) 0.111(4) Uani 1 1 d . U . . .
H98A H 0.816729 0.452711 -0.103109 0.133 Uiso 1 1 calc R . . . .
H98B H 0.767174 0.465597 -0.071657 0.133 Uiso 1 1 calc R . . . .
C99 C 1.1125(7) 0.0405(10) 0.1266(6) 0.093(5) Uani 1 1 d . . . . .
H99A H 1.119864 -0.018624 0.130153 0.112 Uiso 1 1 calc R . . . .
H99B H 1.137289 0.063903 0.104438 0.112 Uiso 1 1 calc R . . . .
C100 C 0.9059(6) 0.5017(11) -0.0175(6) 0.088(3) Uani 1 1 d . U . . .
H100 H 0.919620 0.473003 -0.046994 0.106 Uiso 1 1 calc R . . . .
C101 C 1.1435(4) 0.6955(7) 0.3666(4) 0.038(3) Uani 1 1 d . . . . .
C102 C 1.1676(5) -0.0244(8) 0.3462(6) 0.065(4) Uani 1 1 d . . . . .
H102 H 1.202380 -0.050942 0.360490 0.078 Uiso 1 1 calc R . . . .
C103 C 1.1259(7) 0.0794(11) 0.1831(6) 0.092(5) Uani 1 1 d . . . . .
H10A H 1.105000 0.050535 0.206829 0.110 Uiso 1 1 calc R . . . .
H10B H 1.166555 0.073683 0.199543 0.110 Uiso 1 1 calc R . . . .
C104 C 0.6724(7) 0.2648(14) -0.1861(7) 0.102(4) Uani 1 1 d . U . . .
H104 H 0.672974 0.314331 -0.205420 0.122 Uiso 1 1 calc R . . . .
C105 C 0.7044(8) 0.1289(15) -0.1749(8) 0.107(4) Uani 1 1 d . U . . .
H105 H 0.726086 0.085138 -0.183768 0.129 Uiso 1 1 calc R . . . .
C106 C 0.8628(6) 0.6058(13) -0.0890(7) 0.108(4) Uani 1 1 d . U . . .
H10C H 0.861358 0.664505 -0.097839 0.130 Uiso 1 1 calc R . . . .
H10D H 0.877112 0.576333 -0.117357 0.130 Uiso 1 1 calc R . . . .
C107 C 0.6548(6) 0.3041(12) -0.0344(5) 0.093(3) Uani 1 1 d . U . . .
H107 H 0.678516 0.270900 -0.050498 0.112 Uiso 1 1 calc R . . . .
C108 C 0.8253(6) 0.2409(13) -0.0148(7) 0.088(3) Uani 1 1 d . U . . .
C109 C 0.9022(6) 0.5908(12) -0.0316(6) 0.098(4) Uani 1 1 d . U . . .
H10E H 0.940218 0.611854 -0.031265 0.118 Uiso 1 1 calc R . . . .
H10F H 0.887580 0.620937 -0.003626 0.118 Uiso 1 1 calc R . . . .
C110 C 0.7816(6) 0.1843(13) -0.0355(7) 0.095(4) Uani 1 1 d . U . . .
H110 H 0.746668 0.201345 -0.057790 0.113 Uiso 1 1 calc R . . . .
C111 C 0.6736(7) 0.3218(14) 0.0219(6) 0.099(3) Uani 1 1 d . U . . .
H111 H 0.712601 0.322164 0.038957 0.119 Uiso 1 1 calc R . . . .
C112 C 0.8434(6) 0.0797(14) 0.0076(7) 0.098(4) Uani 1 1 d . U . . .
H112 H 0.850797 0.023817 0.015809 0.118 Uiso 1 1 calc R . . . .
C113 C 0.6686(9) 0.5286(11) -0.1695(8) 0.108(4) Uani 1 1 d . U . . .
H113 H 0.704810 0.543091 -0.174328 0.130 Uiso 1 1 calc R . . . .
C114 C 0.6551(8) 0.4511(12) -0.1484(7) 0.107(4) Uani 1 1 d . U . . .
H114 H 0.685778 0.418453 -0.130235 0.128 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy1 3.8260(8) 2_756 ?
Dy1 O2 2.2934(4) . ?
Dy1 O1 2.138(6) . ?
Dy1 N3 2.656(8) . ?
Dy1 O3 2.2825(4) . ?
Dy1 N1 2.696(8) . ?
Dy1 N6 2.628(8) . ?
Dy1 N4 2.769(8) . ?
Dy1 N5 2.635(7) . ?
Dy1 N2 2.626(7) . ?
Dy2 Dy2 3.8236(9) 2_755 ?
Dy2 N11 2.745(9) . ?
Dy2 O4 2.131(8) . ?
Dy2 O5 2.2835(4) . ?
Dy2 O5 2.2819(4) 2_755 ?
Dy2 N12 2.687(10) . ?
Dy2 N9 2.635(12) . ?
Dy2 N7 2.611(11) . ?
Dy2 N10 2.604(10) . ?
Dy2 N8 2.750(9) . ?
O1 C101 1.350(11) . ?
N11 C26 1.268(16) . ?
N11 C70 1.483(16) . ?
O4 C7 1.351(13) . ?
N3 C13 1.328(13) . ?
N3 C41 1.351(12) . ?
N1 C14 1.476(10) . ?
N1 C54 1.274(12) . ?
N6 C16 1.360(11) . ?
N6 C52 1.325(14) . ?
C1 B1 1.661(14) . ?
C1 C25 1.411(15) . ?
C1 C32 1.363(15) . ?
N4 C11 1.241(13) . ?
N4 C61 1.478(11) . ?
C2 C16 1.359(14) . ?
C2 C17 1.398(18) . ?
C3 C4 1.389(17) . ?
C3 C34 1.372(16) . ?
N5 C37 1.268(12) . ?
N5 C69 1.485(12) . ?
C4 C9 1.420(18) . ?
C4 C42 1.514(17) . ?
N12 C46 1.338(14) . ?
N12 C68 1.349(18) . ?
C5 B1 1.660(14) . ?
C5 C40 1.398(13) . ?
C5 C48 1.367(15) . ?
C6 C38 1.395(15) . ?
C6 C50 1.394(19) . ?
C7 C8 1.385(17) . ?
C7 C60 1.344(19) . ?
C8 C65 1.412(18) . ?
C9 C73 1.346(16) . ?
N9 C30 1.34(3) . ?
N9 C108 1.35(2) . ?
C10 C19 1.382(13) . ?
C10 C35 1.405(14) . ?
N7 C76 1.300(18) . ?
N7 C100 1.455(15) . ?
C11 C13 1.504(13) . ?
C12 C14 1.541(12) . ?
C12 N2 1.474(12) . ?
C12 C63 1.522(10) . ?
C13 C43 1.410(15) . ?
C14 C28 1.515(13) . ?
C15 C35 1.381(14) . ?
C15 C102 1.356(17) . ?
C16 C37 1.466(16) . ?
C17 C22 1.380(15) . ?
N2 C39 1.248(13) . ?
C18 C33 1.37(2) . ?
C18 C82 1.37(2) . ?
C19 B1 1.648(14) . ?
C19 C75 1.438(13) . ?
B1 C38 1.638(15) . ?
C20 C56 1.498(14) . ?
C20 C63 1.542(15) . ?
N10 C45 1.453(14) . ?
N10 C80 1.258(19) . ?
C21 C44 1.46(3) . ?
C21 B2 1.65(2) . ?
C21 C104 1.36(2) . ?
C22 C52 1.413(14) . ?
C23 C55 1.380(14) . ?
C23 C58 1.344(16) . ?
C24 C27 1.37(2) . ?
C24 C68 1.364(19) . ?
C25 C33 1.382(15) . ?
C26 C46 1.46(2) . ?
C27 C47 1.33(2) . ?
C28 C56 1.524(12) . ?
C29 C53 1.470(17) . ?
C30 C80 1.47(3) . ?
C30 C112 1.36(2) . ?
C31 C70 1.530(17) . ?
C31 C103 1.47(2) . ?
C32 C82 1.390(16) . ?
C34 C101 1.428(16) . ?
C36 C43 1.379(15) . ?
C36 C51 1.395(17) . ?
C38 C79 1.398(15) . ?
C39 C41 1.488(16) . ?
C40 C83 1.369(16) . ?
C41 C51 1.379(14) . ?
N8 C94 1.284(19) . ?
N8 C97 1.49(2) . ?
C44 C88 1.38(3) . ?
C45 C70 1.535(16) . ?
C45 C77 1.529(18) . ?
C46 C47 1.399(18) . ?
C48 C62 1.420(17) . ?
C49 C55 1.362(14) . ?
C49 C67 1.412(18) . ?
C49 B2 1.625(14) . ?
C50 C71 1.40(2) . ?
C52 C54 1.477(13) . ?
C53 C65 1.377(18) . ?
C53 C95 1.377(18) . ?
C57 C64 1.538(15) . ?
C57 C69 1.537(11) . ?
C58 C86 1.369(17) . ?
C59 C78 1.39(2) . ?
C59 C93 1.29(2) . ?
C60 C95 1.411(18) . ?
C61 C66 1.543(15) . ?
C61 C69 1.517(14) . ?
C62 C74 1.355(19) . ?
C64 C87 1.528(17) . ?
C66 C87 1.514(13) . ?
C67 C86 1.404(18) . ?
C68 C76 1.435(18) . ?
C71 C92 1.32(2) . ?
C72 B2 1.65(2) . ?
C72 C78 1.35(2) . ?
C72 C114 1.37(2) . ?
C73 C101 1.356(16) . ?
C74 C83 1.39(2) . ?
B2 C84 1.634(16) . ?
C75 C102 1.361(18) . ?
C77 C99 1.54(2) . ?
C79 C92 1.367(17) . ?
C81 C84 1.43(2) . ?
C81 C90 1.41(2) . ?
C84 C107 1.315(17) . ?
C85 C104 1.45(3) . ?
C85 C105 1.32(3) . ?
C88 C105 1.35(3) . ?
C89 C90 1.40(2) . ?
C89 C111 1.30(2) . ?
C91 C98 1.53(3) . ?
C91 C106 1.54(2) . ?
C93 C113 1.50(3) . ?
C94 C108 1.42(3) . ?
C96 C110 1.34(3) . ?
C96 C112 1.38(2) . ?
C97 C98 1.574(19) . ?
C97 C100 1.52(2) . ?
C99 C103 1.52(2) . ?
C100 C109 1.51(2) . ?
C106 C109 1.561(19) . ?
C107 C111 1.416(19) . ?
C108 C110 1.42(2) . ?
C113 C114 1.45(2) . ?

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
O2 Dy1 Dy1 33.474(8) . 2_756 ?
O2 Dy1 N3 78.44(18) . . ?
O2 Dy1 N1 133.11(15) . . ?
O2 Dy1 N6 124.00(16) . . ?
O2 Dy1 N4 68.45(18) . . ?
O2 Dy1 N5 77.10(17) . . ?
O2 Dy1 N2 95.56(18) . . ?
O1 Dy1 Dy1 178.20(18) . 2_756 ?
O1 Dy1 O2 145.7(3) . . ?
O1 Dy1 N3 78.1(3) . . ?
O1 Dy1 O3 147.7(3) . . ?
O1 Dy1 N1 79.9(3) . . ?
O1 Dy1 N6 76.5(3) . . ?
O1 Dy1 N4 78.2(3) . . ?
O1 Dy1 N5 93.5(2) . . ?
O1 Dy1 N2 94.5(2) . . ?
N3 Dy1 Dy1 102.48(18) . 2_756 ?
N3 Dy1 N1 114.5(2) . . ?
N3 Dy1 N4 60.3(2) . . ?
O3 Dy1 Dy1 33.057(8) . 2_756 ?
O3 Dy1 O2 66.531(11) . . ?
O3 Dy1 N3 123.89(18) . . ?
O3 Dy1 N1 69.66(15) . . ?
O3 Dy1 N6 79.58(17) . . ?
O3 Dy1 N4 131.85(17) . . ?
O3 Dy1 N5 93.84(17) . . ?
O3 Dy1 N2 79.90(17) . . ?
N1 Dy1 Dy1 101.38(15) . 2_756 ?
N1 Dy1 N4 158.1(2) . . ?
N6 Dy1 Dy1 102.93(16) . 2_756 ?
N6 Dy1 N3 154.6(2) . . ?
N6 Dy1 N1 61.0(2) . . ?
N6 Dy1 N4 113.5(2) . . ?
N6 Dy1 N5 61.7(2) . . ?
N4 Dy1 Dy1 100.53(17) . 2_756 ?
N5 Dy1 Dy1 84.69(17) . 2_756 ?
N5 Dy1 N3 120.0(2) . . ?
N5 Dy1 N1 122.2(2) . . ?
N5 Dy1 N4 59.9(2) . . ?
N2 Dy1 Dy1 87.26(17) . 2_756 ?
N2 Dy1 N3 60.9(2) . . ?
N2 Dy1 N1 60.6(2) . . ?
N2 Dy1 N6 121.5(2) . . ?
N2 Dy1 N4 120.9(2) . . ?
N2 Dy1 N5 171.9(2) . . ?
N11 Dy2 Dy2 101.6(2) . 2_755 ?
N11 Dy2 N8 158.0(3) . . ?
O4 Dy2 Dy2 178.8(2) . 2_755 ?
O4 Dy2 N11 79.6(3) . . ?
O4 Dy2 O5 145.76(19) . . ?
O4 Dy2 O5 147.96(19) . 2_755 ?
O4 Dy2 N12 76.7(3) . . ?
O4 Dy2 N9 77.6(4) . . ?
O4 Dy2 N7 93.0(4) . . ?
O4 Dy2 N10 94.4(4) . . ?
O4 Dy2 N8 78.4(3) . . ?
O5 Dy2 Dy2 33.140(7) 2_755 2_755 ?
O5 Dy2 Dy2 33.113(7) . 2_755 ?
O5 Dy2 N11 132.7(2) . . ?
O5 Dy2 N11 70.4(2) 2_755 . ?
O5 Dy2 O5 66.243(12) 2_755 . ?
O5 Dy2 N12 125.7(2) . . ?
O5 Dy2 N12 78.70(18) 2_755 . ?
O5 Dy2 N9 77.4(3) . . ?
O5 Dy2 N9 125.1(3) 2_755 . ?
O5 Dy2 N7 80.3(2) . . ?
O5 Dy2 N7 92.5(2) 2_755 . ?
O5 Dy2 N10 80.56(19) 2_755 . ?
O5 Dy2 N10 94.2(2) . . ?
O5 Dy2 N8 130.6(2) 2_755 . ?
O5 Dy2 N8 69.1(2) . . ?
N12 Dy2 Dy2 103.78(19) . 2_755 ?
N12 Dy2 N11 59.8(3) . . ?
N12 Dy2 N8 112.8(3) . . ?
N9 Dy2 Dy2 101.9(2) . 2_755 ?
N9 Dy2 N11 115.2(4) . . ?
N9 Dy2 N12 154.3(3) . . ?
N9 Dy2 N8 61.4(4) . . ?
N7 Dy2 Dy2 86.32(19) . 2_755 ?
N7 Dy2 N11 120.0(3) . . ?
N7 Dy2 N12 60.6(3) . . ?
N7 Dy2 N9 121.0(4) . . ?
N7 Dy2 N8 59.6(3) . . ?
N10 Dy2 Dy2 86.3(2) . 2_755 ?
N10 Dy2 N11 60.4(3) . . ?
N10 Dy2 N12 120.2(3) . . ?
N10 Dy2 N9 62.0(4) . . ?
N10 Dy2 N7 172.5(3) . . ?
N10 Dy2 N8 123.2(3) . . ?
N8 Dy2 Dy2 100.4(2) . 2_755 ?
Dy1 O2 Dy1 113.051(17) 2_756 . ?
C101 O1 Dy1 168.8(6) . . ?
C26 N11 Dy2 120.5(9) . . ?
C26 N11 C70 119.1(10) . . ?
C70 N11 Dy2 120.4(7) . . ?
C7 O4 Dy2 159.8(7) . . ?
C13 N3 Dy1 122.4(6) . . ?
C13 N3 C41 116.7(9) . . ?
C41 N3 Dy1 120.7(7) . . ?
Dy1 O3 Dy1 113.884(17) 2_756 . ?
C14 N1 Dy1 122.3(5) . . ?
C54 N1 Dy1 120.2(6) . . ?
C54 N1 C14 117.5(8) . . ?
C16 N6 Dy1 120.8(7) . . ?
C52 N6 Dy1 121.8(6) . . ?
C52 N6 C16 117.1(8) . . ?
Dy2 O5 Dy2 113.749(12) 2_755 . ?
C25 C1 B1 117.2(9) . . ?
C32 C1 B1 129.2(9) . . ?
C32 C1 C25 113.6(9) . . ?
C11 N4 Dy1 119.9(6) . . ?
C11 N4 C61 118.8(9) . . ?
C61 N4 Dy1 120.4(6) . . ?
C16 C2 C17 118.7(9) . . ?
C34 C3 C4 121.5(12) . . ?
C37 N5 Dy1 121.1(6) . . ?
C37 N5 C69 121.0(7) . . ?
C69 N5 Dy1 117.7(5) . . ?
C3 C4 C9 116.1(11) . . ?
C3 C4 C42 122.4(13) . . ?
C9 C4 C42 121.5(12) . . ?
C46 N12 Dy2 122.0(9) . . ?
C46 N12 C68 116.7(11) . . ?
C68 N12 Dy2 120.6(8) . . ?
C40 C5 B1 121.3(9) . . ?
C48 C5 B1 123.0(9) . . ?
C48 C5 C40 114.4(9) . . ?
C50 C6 C38 119.5(13) . . ?
O4 C7 C8 119.2(13) . . ?
C60 C7 O4 122.1(11) . . ?
C60 C7 C8 118.4(11) . . ?
C7 C8 C65 119.7(13) . . ?
C73 C9 C4 122.4(11) . . ?
C30 N9 Dy2 120.7(10) . . ?
C30 N9 C108 117.1(14) . . ?
C108 N9 Dy2 121.8(13) . . ?
C19 C10 C35 122.5(9) . . ?
C76 N7 Dy2 121.6(8) . . ?
C76 N7 C100 120.1(12) . . ?
C100 N7 Dy2 117.8(9) . . ?
N4 C11 C13 119.3(10) . . ?
N2 C12 C14 107.5(7) . . ?
N2 C12 C63 116.5(7) . . ?
C63 C12 C14 111.0(7) . . ?
N3 C13 C11 116.8(9) . . ?
N3 C13 C43 123.7(9) . . ?
C43 C13 C11 119.5(9) . . ?
N1 C14 C12 107.5(7) . . ?
N1 C14 C28 115.0(7) . . ?
C28 C14 C12 109.4(7) . . ?
C102 C15 C35 119.0(10) . . ?
N6 C16 C37 115.1(8) . . ?
C2 C16 N6 124.1(10) . . ?
C2 C16 C37 120.7(8) . . ?
C22 C17 C2 118.6(10) . . ?
C12 N2 Dy1 116.8(5) . . ?
C39 N2 Dy1 123.1(6) . . ?
C39 N2 C12 120.0(7) . . ?
C82 C18 C33 118.3(11) . . ?
C10 C19 B1 126.7(8) . . ?
C10 C19 C75 114.1(9) . . ?
C75 C19 B1 119.0(9) . . ?
C5 B1 C1 110.9(8) . . ?
C19 B1 C1 110.5(7) . . ?
C19 B1 C5 106.0(8) . . ?
C38 B1 C1 107.2(8) . . ?
C38 B1 C5 110.6(8) . . ?
C38 B1 C19 111.7(8) . . ?
C56 C20 C63 111.5(8) . . ?
C45 N10 Dy2 117.7(7) . . ?
C80 N10 Dy2 119.3(12) . . ?
C80 N10 C45 122.6(14) . . ?
C44 C21 B2 116.8(14) . . ?
C104 C21 C44 109.1(19) . . ?
C104 C21 B2 134.0(19) . . ?
C17 C22 C52 118.7(11) . . ?
C58 C23 C55 119.4(10) . . ?
C68 C24 C27 119.7(15) . . ?
C33 C25 C1 124.1(12) . . ?
N11 C26 C46 120.6(10) . . ?
C47 C27 C24 118.5(15) . . ?
C14 C28 C56 111.6(8) . . ?
N9 C30 C80 113.3(14) . . ?
N9 C30 C112 124.5(18) . . ?
C112 C30 C80 122(2) . . ?
C103 C31 C70 113.9(14) . . ?
C1 C32 C82 123.6(12) . . ?
C18 C33 C25 119.4(13) . . ?
C3 C34 C101 120.4(11) . . ?
C15 C35 C10 120.0(9) . . ?
C43 C36 C51 119.0(11) . . ?
N5 C37 C16 120.8(7) . . ?
C6 C38 B1 124.0(10) . . ?
C6 C38 C79 115.6(11) . . ?
C79 C38 B1 120.4(9) . . ?
N2 C39 C41 119.8(8) . . ?
C83 C40 C5 124.4(12) . . ?
N3 C41 C39 114.6(9) . . ?
N3 C41 C51 124.1(10) . . ?
C51 C41 C39 121.2(9) . . ?
C94 N8 Dy2 115.8(11) . . ?
C94 N8 C97 124.2(12) . . ?
C97 N8 Dy2 120.0(8) . . ?
C36 C43 C13 118.2(10) . . ?
C88 C44 C21 126(2) . . ?
N10 C45 C70 108.1(9) . . ?
N10 C45 C77 116.5(11) . . ?
C77 C45 C70 109.4(10) . . ?
N12 C46 C26 116.4(11) . . ?
N12 C46 C47 121.8(13) . . ?
C47 C46 C26 121.8(11) . . ?
C27 C47 C46 120.3(14) . . ?
C5 C48 C62 122.3(10) . . ?
C55 C49 C67 112.4(9) . . ?
C55 C49 B2 121.9(10) . . ?
C67 C49 B2 125.6(10) . . ?
C6 C50 C71 121.1(14) . . ?
C41 C51 C36 118.3(10) . . ?
N6 C52 C22 122.8(9) . . ?
N6 C52 C54 117.1(9) . . ?
C22 C52 C54 120.0(10) . . ?
C65 C53 C29 123.8(13) . . ?
C65 C53 C95 115.0(11) . . ?
C95 C53 C29 121.2(14) . . ?
N1 C54 C52 119.2(9) . . ?
C49 C55 C23 126.7(11) . . ?
C20 C56 C28 110.7(8) . . ?
C69 C57 C64 108.7(8) . . ?
C23 C58 C86 118.6(11) . . ?
C93 C59 C78 121.3(16) . . ?
C7 C60 C95 121.1(12) . . ?
N4 C61 C66 115.1(8) . . ?
N4 C61 C69 107.8(7) . . ?
C69 C61 C66 111.2(9) . . ?
C74 C62 C48 120.3(12) . . ?
C12 C63 C20 109.1(8) . . ?
C87 C64 C57 110.6(9) . . ?
C53 C65 C8 123.1(12) . . ?
C87 C66 C61 112.3(9) . . ?
C86 C67 C49 122.1(12) . . ?
N12 C68 C24 122.9(13) . . ?
N12 C68 C76 114.4(12) . . ?
C24 C68 C76 122.6(14) . . ?
N5 C69 C57 115.5(8) . . ?
N5 C69 C61 107.0(7) . . ?
C61 C69 C57 112.0(8) . . ?
N11 C70 C31 115.2(11) . . ?
N11 C70 C45 106.8(9) . . ?
C31 C70 C45 109.8(10) . . ?
C92 C71 C50 119.8(13) . . ?
C78 C72 B2 125.8(12) . . ?
C78 C72 C114 112.8(15) . . ?
C114 C72 B2 120.6(14) . . ?
C9 C73 C101 121.8(11) . . ?
C62 C74 C83 118.8(11) . . ?
C21 B2 C72 113.6(13) . . ?
C49 B2 C21 105.5(11) . . ?
C49 B2 C72 108.5(9) . . ?
C49 B2 C84 116.3(10) . . ?
C84 B2 C21 108.5(10) . . ?
C84 B2 C72 104.8(12) . . ?
C102 C75 C19 122.9(10) . . ?
N7 C76 C68 121.4(13) . . ?
C45 C77 C99 111.0(13) . . ?
C72 C78 C59 125.1(14) . . ?
C92 C79 C38 124.3(12) . . ?
N10 C80 C30 123.5(19) . . ?
C90 C81 C84 125.1(14) . . ?
C18 C82 C32 121.0(12) . . ?
C40 C83 C74 119.2(12) . . ?
C81 C84 B2 124.5(11) . . ?
C107 C84 B2 124.8(12) . . ?
C107 C84 C81 110.3(12) . . ?
C105 C85 C104 117(2) . . ?
C58 C86 C67 120.8(13) . . ?
C66 C87 C64 109.9(9) . . ?
C105 C88 C44 117(2) . . ?
C111 C89 C90 117.7(15) . . ?
C89 C90 C81 115.8(15) . . ?
C98 C91 C106 110.7(14) . . ?
C71 C92 C79 119.6(14) . . ?
C59 C93 C113 117.0(18) . . ?
N8 C94 C108 124.6(13) . . ?
C53 C95 C60 122.8(14) . . ?
C110 C96 C112 121.8(17) . . ?
N8 C97 C98 111.1(15) . . ?
N8 C97 C100 106.1(11) . . ?
C100 C97 C98 111.8(12) . . ?
C91 C98 C97 109.8(16) . . ?
C103 C99 C77 110.7(13) . . ?
N7 C100 C97 106.3(11) . . ?
N7 C100 C109 118.0(15) . . ?
C109 C100 C97 110.2(12) . . ?
O1 C101 C34 117.1(11) . . ?
O1 C101 C73 125.0(11) . . ?
C73 C101 C34 117.7(10) . . ?
C15 C102 C75 120.8(11) . . ?
C31 C103 C99 111.6(11) . . ?
C21 C104 C85 127(2) . . ?
C85 C105 C88 123(2) . . ?
C91 C106 C109 108.0(13) . . ?
C84 C107 C111 126.1(16) . . ?
N9 C108 C94 116.3(14) . . ?
N9 C108 C110 121.9(19) . . ?
C94 C108 C110 121.8(16) . . ?
C100 C109 C106 111.3(16) . . ?
C96 C110 C108 117.3(17) . . ?
C89 C111 C107 118.0(15) . . ?
C30 C112 C96 117(2) . . ?
C114 C113 C93 111.2(18) . . ?
C72 C114 C113 126.1(17) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# 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_02
_database_code_depnum_ccdc_archive 'CCDC 2078251'
loop_
_audit_author_name
_audit_author_address
'Zhenhua Zhu Chen Zhao '
;CIAC
China
;
_audit_update_record             
;
2021-04-20 deposited with the CCDC.	2022-05-31 downloaded from the CCDC.
;
_audit_creation_date             2021-04-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        Dy2_Me_S
_chemical_formula_moiety         '2(C33 H38 Dy N6 O2), 2(C24 H20 B)'
_chemical_formula_sum            'C114 H116 B2 Dy2 N12 O4'
_chemical_formula_weight         2064.80
_chemical_absolute_configuration AD
_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'
B B 0.0013 0.0007 '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           5
_space_group_name_H-M_alt        'C 1 2 1'
_space_group_name_Hall           'C 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   24.4551(7)
_cell_length_b                   16.4773(6)
_cell_length_c                   25.1381(8)
_cell_angle_alpha                90
_cell_angle_beta                 103.3770(10)
_cell_angle_gamma                90
_cell_volume                     9854.7(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9884
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      25.01
_cell_measurement_theta_min      2.39
_shelx_estimated_absorpt_T_max   0.969
_shelx_estimated_absorpt_T_min   0.966
_exptl_absorpt_coefficient_mu    1.565
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6672
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0794 before and 0.0615 after correction.
The Ratio of minimum to maximum transmission is 0.8953.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.392
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4232
_exptl_crystal_size_max          0.022
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0407
_diffrn_reflns_av_unetI/netI     0.0420
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            62940
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.060
_diffrn_reflns_theta_max         25.060
_diffrn_reflns_theta_min         2.070
_diffrn_ambient_temperature      180.0
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_reflns_Friedel_coverage         0.919
_reflns_Friedel_fraction_full    0.989
_reflns_Friedel_fraction_max     0.989
_reflns_number_gt                14713
_reflns_number_total             17368
_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 V8.40A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.817
_refine_diff_density_min         -1.323
_refine_diff_density_rms         0.113
_refine_ls_abs_structure_details 
;
 Flack x determined using 6220 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.006(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1143
_refine_ls_number_reflns         17368
_refine_ls_number_restraints     655
_refine_ls_R_factor_all          0.0662
_refine_ls_R_factor_gt           0.0510
_refine_ls_restrained_S_all      1.064
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0703P)²+66.7017P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1300
_refine_ls_wR_factor_ref         0.1461
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
O2 \\sim C43: within 3.8A with sigma of 0.01 and sigma for terminal atoms of
0.02
C101 \\sim C102 \\sim C78: within 3.8A with sigma of 0.01 and sigma for
terminal atoms of 0.02
C104 \\sim C103 \\sim C108: within 3.8A with sigma of 0.01 and sigma for
terminal atoms of 0.02
C107 \\sim C106 \\sim C105 \\sim C104 \\sim C103 \\sim C108: within 3.8A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C68 \\sim C77 \\sim C78 \\sim C102 \\sim C101 \\sim C91: within 3.8A with sigma
of 0.01 and sigma for terminal atoms of 0.02
C45 \\sim C42 \\sim C63 \\sim C72 \\sim C96 \\sim C79: within 3.8A with sigma
of 0.01 and sigma for terminal atoms of 0.02
C73 \\sim C10 \\sim C99 \\sim C100 \\sim C98 \\sim C88: within 3.8A with sigma
of 0.01 and sigma for terminal atoms of 0.02
C4 \\sim C32 \\sim C70 \\sim C84 \\sim C52 \\sim C46: within 3.8A with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C19) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
3. Rigid body (RIGU) restrains
 C111, C8, C27, C47, C82, C40, C90, B2, C45, C105, C109, C42, C79, C106, C104,
 C110, C114, C63, C96, C107, C103, C113, C72, C108, C112
 with sigma for 1-2 distances of 0.0001 and sigma for 1-3 distances of 0.0001
4. Others
 Fixed Sof: H3(0.5)
5.a Everything fixed:
 O4, H4, O3, H3, O1, H1A
5.b Ternary CH refined with riding coordinates:
 C18(H18), C23(H23), C50(H50), C56(H56), C60(H60), C68(H68), C86(H86), C91(H91)
5.c Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B), C33(H33A,H33B), C53(H53A,H53B), C57(H57A,H57B), C59(H59A,
 H59B), C61(H61A,H61B), C65(H65A,H65B), C71(H71A,H71B), C76(H76A,H76B),
 C77(H77A,H77B), C78(H78A,H78B), C80(H80A,H80B), C94(H94A,H94B), C97(H97A,H97B),
  C101(H10A,H10B), C102(H10C,H10D)
5.d Aromatic/amide H refined with riding coordinates:
 C1(H1), C6(H6), C8(H8), C9(H9), C11(H11), C12(H12), C13(H13), C16(H16),
 C21(H21), C22(H22), C24(H24), C25(H25), C26(H26), C27(H27), C28(H28), C30(H30),
  C32(H32), C34(H34), C35(H35), C36(H36), C37(H37), C38(H38), C39(H39),
 C41(H41), C44(H44), C42(H42), C63(H63), C72(H72), C96(H96), C79(H79), C46(H46),
  C47(H47), C48(H48), C49(H49), C51(H51), C52(H52), C54(H54), C55(H55),
 C58(H58), C62(H62), C64(H64), C69(H69), C70(H70), C73(H73), C74(H74), C75(H75),
  C82(H82), C83(H83), C84(H84), C85(H85), C98(H98), C100(H100), C99(H99),
 C89(H89), C90(H90), C92(H92), C93(H93), C95(H95), C103(H103), C104(H104),
 C106(H106), C107(H107), C108(H108), C110(H110), C111(H111), C112(H112),
 C113(H113), C114(H114)
5.e Fitted hexagon refined as free rotating group:
 C45(C42,C63,C72,C96,C79), C88(C98,C100,C99,C10,N2), C103(C104,C105,C106,C107,
 C108), C109(C110,C111,C112,C113,C114)
5.f Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C31(H31A,H31B,H31C)
;
_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
Dy1 Dy 0.45304(2) 0.55278(2) 0.05126(2) 0.03104(15) Uani 1 1 d . . . . .
Dy2 Dy 0.54383(2) 0.93304(4) 0.44605(2) 0.0461(2) Uani 1 1 d . . . . .
O5 O 0.3982(3) 0.5546(8) 0.1070(3) 0.0387(17) Uani 1 1 d . . . . .
N10 N 0.3760(4) 0.4454(7) 0.0098(4) 0.033(2) Uani 1 1 d . . . . .
C1 C 0.3154(6) 0.5072(9) 0.1310(6) 0.042(3) Uani 1 1 d . . . . .
H1 H 0.315429 0.458566 0.110670 0.051 Uiso 1 1 calc R . . . .
O4 O 0.500000 0.477150 0.000000 0.030 Uani 1 2 d S T P . .
H4 H 0.500000 0.429640 0.000000 0.050 Uiso 1 2 d S T P . .
B1 B 0.4011(6) 0.0711(9) 0.1285(5) 0.037(3) Uani 1 1 d . . . . .
N5 N 0.4905(5) 0.8262(9) 0.3711(5) 0.048(3) Uani 1 1 d . . . . .
C2 C 0.4835(6) 0.7389(8) 0.1212(5) 0.037(3) Uani 1 1 d . . . . .
C3 C 0.5427(5) 0.6424(9) 0.1668(6) 0.041(3) Uani 1 1 d . . . . .
C4 C 0.3597(5) 0.0077(8) 0.1479(5) 0.041(2) Uani 1 1 d . U . . .
C5 C 0.2706(6) 0.5910(11) 0.1884(7) 0.052(4) Uani 1 1 d . . . . .
N8 N 0.5426(4) 0.5136(7) 0.1261(4) 0.034(2) Uani 1 1 d . . . . .
C6 C 0.2729(6) 0.5212(10) 0.1576(6) 0.050(4) Uani 1 1 d . . . . .
H6 H 0.244111 0.481779 0.154920 0.060 Uiso 1 1 calc R . . . .
C7 C 0.4663(5) 0.0371(6) 0.1517(5) 0.036(3) Uani 1 1 d . . . . .
C8 C 0.4643(6) 0.4998(11) 0.2515(6) 0.057(3) Uani 1 1 d . U . . .
H8 H 0.458968 0.512355 0.213766 0.069 Uiso 1 1 calc R . . . .
C9 C 0.2871(5) 0.4137(9) -0.0513(5) 0.047(3) Uani 1 1 d . . . . .
H9 H 0.257329 0.430073 -0.080793 0.057 Uiso 1 1 calc R . . . .
N1 N 0.5200(5) 1.0876(8) 0.4334(5) 0.055(3) Uani 1 1 d . . . . .
C11 C 0.5648(5) 0.5589(10) 0.1640(4) 0.039(3) Uani 1 1 d . . . . .
H11 H 0.595969 0.540541 0.191344 0.047 Uiso 1 1 calc R . . . .
N11 N 0.3733(4) 0.5948(6) -0.0334(4) 0.037(2) Uani 1 1 d . . . . .
C12 C 0.5034(6) 0.0191(10) 0.1208(7) 0.056(4) Uani 1 1 d . . . . .
H12 H 0.492034 0.024872 0.082251 0.067 Uiso 1 1 calc R . . . .
N9 N 0.4653(4) 0.3998(6) 0.0887(4) 0.036(2) Uani 1 1 d . . . . .
N7 N 0.5013(4) 0.6640(7) 0.1230(4) 0.038(2) Uani 1 1 d . . . . .
O2 O 0.5940(4) 0.9315(10) 0.3869(4) 0.071(3) Uani 1 1 d . U . . .
C13 C 0.4361(8) 0.7936(15) 0.2814(7) 0.071(5) Uani 1 1 d . . . . .
H13 H 0.411930 0.811625 0.248366 0.085 Uiso 1 1 calc R . . . .
C14 C 0.3902(8) 1.0893(13) 0.3191(7) 0.076(6) Uani 1 1 d . . . . .
H14A H 0.383227 1.067188 0.281466 0.092 Uiso 1 1 calc R . . . .
H14B H 0.365381 1.059927 0.338541 0.092 Uiso 1 1 calc R . . . .
C15 C 0.3944(5) 0.1620(7) 0.1521(5) 0.038(3) Uani 1 1 d . . . . .
C16 C 0.2876(6) 0.3380(10) -0.0290(6) 0.060(4) Uani 1 1 d . . . . .
H16 H 0.257293 0.301656 -0.041913 0.072 Uiso 1 1 calc R . . . .
C17 C 0.3840(5) 0.0813(8) 0.0616(5) 0.045(3) Uani 1 1 d . . . . .
C18 C 0.3733(5) 0.6784(8) -0.0544(4) 0.041(3) Uani 1 1 d . . . . .
H18 H 0.410714 0.687299 -0.063169 0.049 Uiso 1 1 calc R . . . .
C19 C 0.3559(5) 0.5609(10) 0.1336(5) 0.039(3) Uani 1 1 d . U . . .
C20 C 0.2251(8) 0.6041(13) 0.2191(9) 0.081(7) Uani 1 1 d . . . . .
H20A H 0.188387 0.605678 0.193082 0.121 Uiso 1 1 calc GR . . . .
H20B H 0.231561 0.655634 0.239006 0.121 Uiso 1 1 calc GR . . . .
H20C H 0.225628 0.559538 0.245006 0.121 Uiso 1 1 calc GR . . . .
C21 C 0.4858(6) 0.0255(9) 0.2075(6) 0.050(4) Uani 1 1 d . . . . .
H21 H 0.460756 0.037492 0.230157 0.060 Uiso 1 1 calc R . . . .
N4 N 0.5577(5) 0.7786(9) 0.4659(5) 0.061(3) Uani 1 1 d . . . . .
C22 C 0.4249(5) 0.2845(7) 0.2062(5) 0.041(3) Uani 1 1 d . . . . .
H22 H 0.454710 0.313781 0.229276 0.049 Uiso 1 1 calc R . . . .
C23 C 0.5164(5) 0.3718(7) 0.1279(5) 0.035(2) Uani 1 1 d . . . . .
H23 H 0.509513 0.375684 0.165451 0.042 Uiso 1 1 calc R . . . .
C24 C 0.3133(6) 0.6482(10) 0.1907(6) 0.051(4) Uani 1 1 d . . . . .
H24 H 0.314473 0.695913 0.212150 0.061 Uiso 1 1 calc R . . . .
C25 C 0.6410(7) 0.8536(12) 0.3319(7) 0.062(5) Uani 1 1 d . . . . .
H25 H 0.612034 0.813912 0.326205 0.074 Uiso 1 1 calc R . . . .
C26 C 0.5455(7) 0.7738(10) 0.2059(7) 0.056(4) Uani 1 1 d . . . . .
H26 H 0.560651 0.810953 0.234416 0.067 Uiso 1 1 calc R . . . .
C27 C 0.4206(7) 0.5032(10) 0.2763(6) 0.056(3) Uani 1 1 d . U . . .
H27 H 0.383907 0.515899 0.255665 0.068 Uiso 1 1 calc R . . . .
N12 N 0.4146(4) 0.7108(7) 0.0405(4) 0.041(2) Uani 1 1 d . . . . .
N6 N 0.4663(5) 0.9847(9) 0.3549(5) 0.054(3) Uani 1 1 d . . . . .
C28 C 0.5387(8) 0.7240(13) 0.4269(8) 0.076(5) Uani 1 1 d . . . . .
H28 H 0.549315 0.668866 0.433654 0.091 Uiso 1 1 calc R . . . .
O3 O 0.500000 0.629800 0.000000 0.031 Uani 1 2 d S T P . .
H3 H 0.504140 0.675520 0.002120 0.050 Uiso 0.5 1 d . . . . .
C29 C 0.3303(5) 0.4655(8) -0.0299(5) 0.041(3) Uani 1 1 d . . . . .
C30 C 0.4850(8) 0.6910(14) 0.3364(8) 0.071(5) Uani 1 1 d . . . . .
H30 H 0.495710 0.635614 0.341578 0.085 Uiso 1 1 calc R . . . .
C31 C 0.7749(7) 0.8858(13) 0.2849(7) 0.071(5) Uani 1 1 d . . . . .
H31A H 0.795277 0.836556 0.299687 0.106 Uiso 1 1 calc GR . . . .
H31B H 0.800427 0.932383 0.291697 0.106 Uiso 1 1 calc GR . . . .
H31C H 0.760000 0.879426 0.245396 0.106 Uiso 1 1 calc GR . . . .
C32 C 0.3622(6) -0.0762(10) 0.1369(6) 0.055(3) Uani 1 1 d . U . . .
H32 H 0.388186 -0.092641 0.116167 0.066 Uiso 1 1 calc R . . . .
C33 C 0.5343(5) 0.2851(8) 0.1195(5) 0.042(3) Uani 1 1 d . . . . .
H33A H 0.504146 0.247232 0.123761 0.050 Uiso 1 1 calc R . . . .
H33B H 0.539815 0.279069 0.081940 0.050 Uiso 1 1 calc R . . . .
C34 C 0.3323(5) 0.3149(9) 0.0121(5) 0.049(3) Uani 1 1 d . . . . .
H34 H 0.333858 0.262337 0.027968 0.059 Uiso 1 1 calc R . . . .
C35 C 0.4505(8) 0.7147(13) 0.2881(7) 0.068(5) Uani 1 1 d . . . . .
H35 H 0.437031 0.676408 0.259817 0.082 Uiso 1 1 calc R . . . .
C36 C 0.4396(6) 0.7649(10) 0.0707(6) 0.049(4) Uani 1 1 d . . . . .
H36 H 0.431807 0.820597 0.062672 0.058 Uiso 1 1 calc R . . . .
C37 C 0.4266(5) 0.3478(8) 0.0722(6) 0.045(3) Uani 1 1 d . . . . .
H37 H 0.430095 0.294280 0.086690 0.054 Uiso 1 1 calc R . . . .
C38 C 0.3722(6) 0.3185(9) 0.1906(7) 0.059(4) Uani 1 1 d . . . . .
H38 H 0.363955 0.368225 0.206161 0.071 Uiso 1 1 calc R . . . .
C39 C 0.3329(4) 0.5478(9) -0.0533(4) 0.041(3) Uani 1 1 d . . . . .
H39 H 0.304116 0.565242 -0.083342 0.050 Uiso 1 1 calc R . . . .
C40 C 0.5302(7) 0.4590(13) 0.3367(7) 0.0719(14) Uani 1 1 d . U . . .
C41 C 0.6863(8) 0.8429(12) 0.3071(7) 0.067(5) Uani 1 1 d . . . . .
H41 H 0.687814 0.794861 0.286612 0.080 Uiso 1 1 calc R . . . .
C43 C 0.6372(4) 0.9187(11) 0.3637(6) 0.051(4) Uani 1 1 d . U . . .
C44 C 0.5760(6) -0.0171(10) 0.2006(9) 0.070(5) Uani 1 1 d . . . . .
H44 H 0.613409 -0.033437 0.216691 0.085 Uiso 1 1 calc R . . . .
C45 C 0.6066(5) 0.4245(9) 0.4364(3) 0.0723(13) Uani 1 1 d . U . . .
C42 C 0.5713(4) 0.3832(9) 0.4631(4) 0.084(3) Uani 1 1 d G U . . .
H42 H 0.537541 0.359379 0.442642 0.101 Uiso 1 1 calc R . . . .
C63 C 0.5853(5) 0.3766(9) 0.5198(4) 0.087(3) Uani 1 1 d G U . . .
H63 H 0.561116 0.348356 0.538030 0.104 Uiso 1 1 calc R . . . .
C72 C 0.6347(5) 0.4114(9) 0.5497(3) 0.089(3) Uani 1 1 d G U . . .
H72 H 0.644229 0.406912 0.588426 0.107 Uiso 1 1 calc R . . . .
C96 C 0.6700(5) 0.4527(9) 0.5230(4) 0.093(3) Uani 1 1 d G U . . .
H96 H 0.703766 0.476492 0.543434 0.112 Uiso 1 1 calc R . . . .
C79 C 0.6560(5) 0.4593(9) 0.4663(4) 0.090(3) Uani 1 1 d G U . . .
H79 H 0.680192 0.487516 0.448045 0.108 Uiso 1 1 calc R . . . .
C46 C 0.3204(6) 0.0258(10) 0.1773(5) 0.057(3) Uani 1 1 d . U . . .
H46 H 0.314495 0.080773 0.185811 0.068 Uiso 1 1 calc R . . . .
C47 C 0.5168(7) 0.4776(11) 0.2823(6) 0.060(3) Uani 1 1 d . U . . .
H47 H 0.546375 0.475120 0.263647 0.073 Uiso 1 1 calc R . . . .
C48 C 0.4003(8) 0.1368(11) -0.0250(7) 0.072(5) Uani 1 1 d . . . . .
H48 H 0.425094 0.163083 -0.043524 0.086 Uiso 1 1 calc R . . . .
O1 O 0.456100 0.931330 0.462860 0.050 Uani 1 1 d . . . . .
H1A H 0.426640 0.931210 0.436950 0.050 Uiso 1 1 d . . . . .
C49 C 0.5045(6) 0.7989(10) 0.1626(6) 0.048(3) Uani 1 1 d . . . . .
H49 H 0.490603 0.852950 0.159810 0.058 Uiso 1 1 calc R . . . .
C50 C 0.4518(7) 1.0722(10) 0.3481(6) 0.061(4) Uani 1 1 d . . . . .
H50 H 0.477013 1.098881 0.327266 0.073 Uiso 1 1 calc R . . . .
C51 C 0.7235(7) 0.9675(12) 0.3425(6) 0.058(4) Uani 1 1 d . . . . .
H51 H 0.751239 1.008902 0.346504 0.069 Uiso 1 1 calc R . . . .
C52 C 0.2877(6) -0.0370(11) 0.1954(6) 0.064(3) Uani 1 1 d . U . . .
H52 H 0.260418 -0.023199 0.215258 0.077 Uiso 1 1 calc R . . . .
C53 C 0.3723(6) 0.8256(9) -0.0247(6) 0.063(4) Uani 1 1 d . . . . .
H53A H 0.366389 0.860827 0.005363 0.076 Uiso 1 1 calc R . . . .
H53B H 0.410009 0.837664 -0.030917 0.076 Uiso 1 1 calc R . . . .
C54 C 0.5652(6) 0.6955(9) 0.2088(6) 0.047(4) Uani 1 1 d . . . . .
H54 H 0.593683 0.678057 0.239083 0.056 Uiso 1 1 calc R . . . .
C55 C 0.3309(6) 0.0634(11) 0.0306(5) 0.061(4) Uani 1 1 d . . . . .
H55 H 0.304780 0.039620 0.048610 0.073 Uiso 1 1 calc R . . . .
C56 C 0.5642(4) 0.4303(7) 0.1247(4) 0.035(2) Uani 1 1 d . . . . .
H56 H 0.572181 0.422843 0.087706 0.042 Uiso 1 1 calc R . . . .
C57 C 0.4491(8) 1.1994(11) 0.4015(7) 0.076(5) Uani 1 1 d . . . . .
H57A H 0.455836 1.222211 0.438872 0.091 Uiso 1 1 calc R . . . .
H57B H 0.474408 1.227481 0.381929 0.091 Uiso 1 1 calc R . . . .
C58 C 0.3135(8) 0.0776(10) -0.0244(6) 0.074(5) Uani 1 1 d . . . . .
H58 H 0.276239 0.063818 -0.043018 0.089 Uiso 1 1 calc R . . . .
C59 C 0.6348(5) 0.3214(9) 0.1570(7) 0.055(4) Uani 1 1 d . . . . .
H59A H 0.643339 0.317152 0.120453 0.067 Uiso 1 1 calc R . . . .
H59B H 0.669159 0.306879 0.184727 0.067 Uiso 1 1 calc R . . . .
C60 C 0.3699(6) 0.7359(9) -0.0080(5) 0.050(3) Uani 1 1 d . . . . .
H60 H 0.332720 0.726829 0.001318 0.060 Uiso 1 1 calc R . . . .
C61 C 0.3350(6) 0.7861(10) -0.1225(6) 0.064(4) Uani 1 1 d . . . . .
H61A H 0.306244 0.798869 -0.156213 0.076 Uiso 1 1 calc R . . . .
H61B H 0.372513 0.793718 -0.130269 0.076 Uiso 1 1 calc R . . . .
C62 C 0.3541(7) 0.6345(9) 0.1610(6) 0.050(4) Uani 1 1 d . . . . .
H62 H 0.380915 0.675514 0.159339 0.060 Uiso 1 1 calc R . . . .
C64 C 0.5383(6) -0.0019(9) 0.2325(7) 0.059(4) Uani 1 1 d . . . . .
H64 H 0.548477 -0.010186 0.270944 0.070 Uiso 1 1 calc R . . . .
C65 C 0.3747(10) 1.1765(14) 0.3159(7) 0.096(7) Uani 1 1 d . . . . .
H65A H 0.333923 1.182047 0.299670 0.115 Uiso 1 1 calc R . . . .
H65B H 0.395263 1.205065 0.291943 0.115 Uiso 1 1 calc R . . . .
C66 C 0.7287(6) 0.8991(11) 0.3112(6) 0.049(4) Uani 1 1 d . . . . .
C67 C 0.3758(5) 0.3715(7) 0.0299(5) 0.035(3) Uani 1 1 d . . . . .
N3 N 0.6447(5) 0.8756(11) 0.5071(5) 0.073(4) Uani 1 1 d . . . . .
C68 C 0.5938(8) 0.7542(16) 0.5177(8) 0.100(4) Uani 1 1 d . U . . .
H68 H 0.580864 0.783476 0.547374 0.120 Uiso 1 1 calc R . . . .
C69 C 0.3497(9) 0.1119(13) -0.0531(6) 0.089(6) Uani 1 1 d . . . . .
H69 H 0.338918 0.117542 -0.091764 0.106 Uiso 1 1 calc R . . . .
C70 C 0.3308(6) -0.1359(11) 0.1531(6) 0.060(3) Uani 1 1 d . U . . .
H70 H 0.333795 -0.190820 0.142558 0.072 Uiso 1 1 calc R . . . .
C71 C 0.5885(5) 0.2630(9) 0.1604(6) 0.050(3) Uani 1 1 d . . . . .
H71A H 0.582060 0.263996 0.197888 0.060 Uiso 1 1 calc R . . . .
H71B H 0.599955 0.207343 0.152959 0.060 Uiso 1 1 calc R . . . .
C73 C 0.5575(9) 1.1358(19) 0.4449(10) 0.108(5) Uani 1 1 d . U . . .
H73 H 0.549092 1.190207 0.433291 0.130 Uiso 1 1 calc R . . . .
C74 C 0.4171(6) 0.1242(8) 0.0327(6) 0.050(3) Uani 1 1 d . . . . .
H74 H 0.452017 0.145760 0.052167 0.060 Uiso 1 1 calc R . . . .
C75 C 0.4345(4) 0.2063(7) 0.1878(4) 0.032(2) Uani 1 1 d . . . . .
H75 H 0.470567 0.182806 0.200828 0.039 Uiso 1 1 calc R . . . .
C76 C 0.3284(5) 0.6988(9) -0.1062(5) 0.051(3) Uani 1 1 d . . . . .
H76A H 0.332319 0.662113 -0.136253 0.061 Uiso 1 1 calc R . . . .
H76B H 0.290522 0.690716 -0.099246 0.061 Uiso 1 1 calc R . . . .
C77 C 0.5983(8) 0.6663(17) 0.5322(8) 0.104(4) Uani 1 1 d . U . . .
H77A H 0.612739 0.636523 0.504111 0.125 Uiso 1 1 calc R . . . .
H77B H 0.560262 0.645123 0.531681 0.125 Uiso 1 1 calc R . . . .
C78 C 0.6373(8) 0.6498(17) 0.5891(9) 0.112(5) Uani 1 1 d . U . . .
H78A H 0.623477 0.679128 0.617816 0.134 Uiso 1 1 calc R . . . .
H78B H 0.638217 0.591065 0.597466 0.134 Uiso 1 1 calc R . . . .
C80 C 0.6182(4) 0.4087(8) 0.1664(5) 0.038(3) Uani 1 1 d . . . . .
H80A H 0.612271 0.414399 0.203862 0.045 Uiso 1 1 calc R . . . .
H80B H 0.648669 0.446205 0.162536 0.045 Uiso 1 1 calc R . . . .
C81 C 0.5040(7) 0.7446(12) 0.3770(7) 0.063(5) Uani 1 1 d . . . . .
C82 C 0.4298(7) 0.4884(15) 0.3309(7) 0.082(5) Uani 1 1 d . U . . .
H82 H 0.399678 0.492798 0.348753 0.098 Uiso 1 1 calc R . . . .
C83 C 0.3428(6) 0.2036(10) 0.1340(7) 0.069(5) Uani 1 1 d . . . . .
H83 H 0.313669 0.178301 0.107576 0.083 Uiso 1 1 calc R . . . .
C84 C 0.2961(6) -0.1145(11) 0.1842(6) 0.064(3) Uani 1 1 d . U . . .
H84 H 0.276590 -0.155545 0.198820 0.077 Uiso 1 1 calc R . . . .
C85 C 0.3331(8) 0.2805(12) 0.1535(9) 0.099(8) Uani 1 1 d . . . . .
H85 H 0.297826 0.306133 0.139963 0.119 Uiso 1 1 calc R . . . .
C86 C 0.4630(6) 1.1081(9) 0.4050(6) 0.055(3) Uani 1 1 d . . . . .
H86 H 0.436889 1.081317 0.424909 0.066 Uiso 1 1 calc R . . . .
C87 C 0.4572(6) 0.8493(12) 0.3239(6) 0.054(4) Uani 1 1 d . . . . .
C88 C 0.6756(5) 1.0121(8) 0.5171(5) 0.101(5) Uani 1 1 d . U . . .
C98 C 0.7179(4) 1.0685(10) 0.5360(5) 0.105(5) Uani 1 1 d G U . . .
H98 H 0.753403 1.051120 0.557002 0.126 Uiso 1 1 calc R . . . .
C100 C 0.7082(5) 1.1504(10) 0.5243(6) 0.106(5) Uani 1 1 d G U . . .
H100 H 0.737122 1.188994 0.537205 0.127 Uiso 1 1 calc R . . . .
C99 C 0.6563(6) 1.1759(8) 0.4936(6) 0.108(5) Uani 1 1 d G U . . .
H99 H 0.649658 1.231895 0.485555 0.129 Uiso 1 1 calc R . . . .
C10 C 0.6140(4) 1.1195(9) 0.4747(5) 0.100(5) Uani 1 1 d G U . . .
N2 N 0.6237(4) 1.0376(8) 0.4864(4) 0.066(5) Uani 1 1 d G . . . .
C89 C 0.4428(6) 0.9343(13) 0.3186(5) 0.061(4) Uani 1 1 d . . . . .
H89 H 0.415474 0.952719 0.287639 0.074 Uiso 1 1 calc R . . . .
C90 C 0.4839(7) 0.4665(14) 0.3611(7) 0.079(5) Uani 1 1 d . U . . .
H90 H 0.489328 0.456359 0.399155 0.094 Uiso 1 1 calc R . . . .
B2 B 0.5935(8) 0.4290(17) 0.3671(8) 0.0714(11) Uani 1 1 d . U . . .
C91 C 0.6517(8) 0.7856(17) 0.5170(8) 0.102(4) Uani 1 1 d . U . . .
H91 H 0.665609 0.759312 0.486826 0.122 Uiso 1 1 calc R . . . .
C92 C 0.6793(8) 0.9770(11) 0.3679(7) 0.061(4) Uani 1 1 d . . . . .
H92 H 0.677693 1.024581 0.388828 0.073 Uiso 1 1 calc R . . . .
C93 C 0.6820(7) 0.9287(17) 0.5250(8) 0.102(8) Uani 1 1 d . . . . .
H93 H 0.717277 0.909904 0.545526 0.123 Uiso 1 1 calc R . . . .
C94 C 0.3282(7) 0.8444(10) -0.0761(6) 0.067(4) Uani 1 1 d . . . . .
H94A H 0.332302 0.901246 -0.087238 0.080 Uiso 1 1 calc R . . . .
H94B H 0.290295 0.837966 -0.068949 0.080 Uiso 1 1 calc R . . . .
C95 C 0.5581(6) -0.0079(10) 0.1445(9) 0.072(5) Uani 1 1 d . . . . .
H95 H 0.583144 -0.020015 0.121708 0.086 Uiso 1 1 calc R . . . .
C97 C 0.3884(9) 1.2151(12) 0.3719(8) 0.092(6) Uani 1 1 d . . . . .
H97A H 0.363081 1.192986 0.393860 0.110 Uiso 1 1 calc R . . . .
H97B H 0.381951 1.274347 0.368173 0.110 Uiso 1 1 calc R . . . .
C101 C 0.6949(9) 0.7708(17) 0.5740(9) 0.115(5) Uani 1 1 d . U . . .
H10A H 0.732810 0.789551 0.571883 0.137 Uiso 1 1 calc R . . . .
H10B H 0.683128 0.801993 0.603116 0.137 Uiso 1 1 calc R . . . .
C102 C 0.6964(8) 0.6799(18) 0.5874(9) 0.116(5) Uani 1 1 d . U . . .
H10C H 0.722581 0.670131 0.623191 0.139 Uiso 1 1 calc R . . . .
H10D H 0.710244 0.649284 0.559222 0.139 Uiso 1 1 calc R . . . .
C103 C 0.6663(4) 0.2238(9) 0.3396(6) 0.098(3) Uani 1 1 d . U . . .
H103 H 0.703298 0.202171 0.346435 0.117 Uiso 1 1 calc R . . . .
C104 C 0.6578(4) 0.3026(8) 0.3558(6) 0.097(3) Uani 1 1 d G U . . .
H104 H 0.688854 0.334766 0.373588 0.117 Uiso 1 1 calc R . . . .
C105 C 0.6037(5) 0.3343(7) 0.3458(5) 0.0753(13) Uani 1 1 d G U . . .
C106 C 0.5582(4) 0.2873(8) 0.3197(5) 0.082(2) Uani 1 1 d G U . . .
H106 H 0.521187 0.308938 0.312897 0.098 Uiso 1 1 calc R . . . .
C107 C 0.5667(4) 0.2085(8) 0.3036(5) 0.084(3) Uani 1 1 d G U . . .
H107 H 0.535629 0.176344 0.285744 0.101 Uiso 1 1 calc R . . . .
C108 C 0.6208(5) 0.1768(7) 0.3135(6) 0.092(3) Uani 1 1 d G U . . .
H108 H 0.626684 0.122959 0.302513 0.110 Uiso 1 1 calc R . . . .
C109 C 0.6371(5) 0.5002(7) 0.3477(5) 0.0710(13) Uani 1 1 d . U . . .
C110 C 0.6741(6) 0.4871(8) 0.3142(6) 0.096(3) Uani 1 1 d G U . . .
H110 H 0.676573 0.434950 0.298700 0.116 Uiso 1 1 calc R . . . .
C111 C 0.7076(6) 0.5502(10) 0.3032(6) 0.128(5) Uani 1 1 d G U . . .
H111 H 0.732955 0.541211 0.280306 0.153 Uiso 1 1 calc R . . . .
C112 C 0.7041(6) 0.6264(9) 0.3259(6) 0.093(3) Uani 1 1 d G U . . .
H112 H 0.726972 0.669569 0.318383 0.112 Uiso 1 1 calc R . . . .
C113 C 0.6670(6) 0.6396(7) 0.3594(6) 0.092(3) Uani 1 1 d G U . . .
H113 H 0.664607 0.691666 0.374854 0.110 Uiso 1 1 calc R . . . .
C114 C 0.6335(5) 0.5764(9) 0.3703(5) 0.087(3) Uani 1 1 d G U . . .
H114 H 0.608226 0.585406 0.393249 0.104 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy1 3.8284(10) 2_655 ?
Dy1 O5 2.152(7) . ?
Dy1 N10 2.619(9) . ?
Dy1 O4 2.2841(5) . ?
Dy1 N8 2.617(9) . ?
Dy1 N11 2.625(9) . ?
Dy1 N9 2.683(10) . ?
Dy1 N7 2.649(11) . ?
Dy1 N12 2.760(11) . ?
Dy1 O3 2.2967(5) . ?
Dy2 Dy2 3.8268(11) 2_656 ?
Dy2 N5 2.686(13) . ?
Dy2 N1 2.616(14) . ?
Dy2 O2 2.135(12) . ?
Dy2 N4 2.601(14) . ?
Dy2 N6 2.749(12) . ?
Dy2 O1 2.2897(6) 2_656 ?
Dy2 O1 2.2808(6) . ?
Dy2 N3 2.753(13) . ?
Dy2 N2 2.625(9) . ?
O5 C19 1.358(14) . ?
N10 C29 1.356(13) . ?
N10 C67 1.319(16) . ?
C1 C6 1.38(2) . ?
C1 C19 1.32(2) . ?
B1 C4 1.608(19) . ?
B1 C7 1.662(17) . ?
B1 C15 1.633(18) . ?
B1 C17 1.644(17) . ?
N5 C81 1.38(2) . ?
N5 C87 1.331(18) . ?
C2 N7 1.306(18) . ?
C2 C36 1.521(17) . ?
C2 C49 1.442(19) . ?
C3 C11 1.48(2) . ?
C3 N7 1.360(16) . ?
C3 C54 1.38(2) . ?
C4 C32 1.41(2) . ?
C4 C46 1.373(18) . ?
C5 C6 1.39(2) . ?
C5 C20 1.51(2) . ?
C5 C24 1.40(2) . ?
N8 C11 1.234(17) . ?
N8 C56 1.474(15) . ?
C7 C12 1.357(19) . ?
C7 C21 1.385(18) . ?
C8 C27 1.36(2) . ?
C8 C47 1.39(2) . ?
C9 C16 1.37(2) . ?
C9 C29 1.368(18) . ?
N1 C73 1.20(3) . ?
N1 C86 1.452(18) . ?
N11 C18 1.475(17) . ?
N11 C39 1.263(16) . ?
C12 C95 1.41(2) . ?
N9 C23 1.476(14) . ?
N9 C37 1.274(16) . ?
O2 C43 1.338(17) . ?
C13 C35 1.35(3) . ?
C13 C87 1.41(2) . ?
C14 C50 1.54(2) . ?
C14 C65 1.48(3) . ?
C15 C75 1.376(15) . ?
C15 C83 1.416(18) . ?
C16 C34 1.374(18) . ?
C17 C55 1.384(17) . ?
C17 C74 1.397(18) . ?
C18 C60 1.521(19) . ?
C18 C76 1.533(14) . ?
C19 C62 1.40(2) . ?
C21 C64 1.368(18) . ?
N4 C28 1.33(2) . ?
N4 C68 1.45(2) . ?
C22 C38 1.376(18) . ?
C22 C75 1.407(16) . ?
C23 C33 1.523(17) . ?
C23 C56 1.531(17) . ?
C24 C62 1.40(2) . ?
C25 C41 1.40(2) . ?
C25 C43 1.35(2) . ?
C26 C49 1.36(2) . ?
C26 C54 1.37(2) . ?
C27 C82 1.36(2) . ?
N12 C36 1.238(18) . ?
N12 C60 1.495(15) . ?
N6 C50 1.49(2) . ?
N6 C89 1.27(2) . ?
C28 C81 1.38(2) . ?
C29 C39 1.49(2) . ?
C30 C35 1.37(3) . ?
C30 C81 1.35(3) . ?
C31 C66 1.45(2) . ?
C32 C70 1.37(2) . ?
C33 C71 1.522(16) . ?
C34 C67 1.407(17) . ?
C37 C67 1.488(15) . ?
C38 C85 1.33(2) . ?
C40 C47 1.37(2) . ?
C40 C90 1.41(3) . ?
C40 B2 1.64(2) . ?
C41 C66 1.38(2) . ?
C43 C92 1.39(2) . ?
C44 C64 1.38(3) . ?
C44 C95 1.38(3) . ?
C45 C42 1.3900 . ?
C45 C79 1.3900 . ?
C45 B2 1.70(2) . ?
C42 C63 1.3900 . ?
C63 C72 1.3900 . ?
C72 C96 1.3900 . ?
C96 C79 1.3900 . ?
C46 C52 1.44(2) . ?
C48 C69 1.34(2) . ?
C48 C74 1.43(2) . ?
C50 C86 1.51(2) . ?
C51 C66 1.40(2) . ?
C51 C92 1.39(2) . ?
C52 C84 1.33(2) . ?
C53 C60 1.54(2) . ?
C53 C94 1.510(17) . ?
C55 C58 1.369(19) . ?
C56 C80 1.526(13) . ?
C57 C86 1.54(2) . ?
C57 C97 1.52(3) . ?
C58 C69 1.39(3) . ?
C59 C71 1.503(19) . ?
C59 C80 1.528(19) . ?
C61 C76 1.52(2) . ?
C61 C94 1.55(2) . ?
C65 C97 1.51(3) . ?
N3 C91 1.51(3) . ?
N3 C93 1.27(2) . ?
C68 C77 1.49(3) . ?
C68 C91 1.51(3) . ?
C70 C84 1.33(2) . ?
C73 C10 1.44(3) . ?
C77 C78 1.55(2) . ?
C78 C102 1.54(3) . ?
C82 C90 1.41(2) . ?
C83 C85 1.40(2) . ?
C87 C89 1.44(3) . ?
C88 C98 1.3900 . ?
C88 N2 1.3900 . ?
C88 C93 1.39(3) . ?
C98 C100 1.3900 . ?
C100 C99 1.3900 . ?
C99 C10 1.3900 . ?
C10 N2 1.3900 . ?
B2 C105 1.69(3) . ?
B2 C109 1.73(3) . ?
C91 C101 1.59(3) . ?
C101 C102 1.53(4) . ?
C103 C104 1.3900 . ?
C103 C108 1.3900 . ?
C104 C105 1.3900 . ?
C105 C106 1.3900 . ?
C106 C107 1.3900 . ?
C107 C108 1.3900 . ?
C109 C110 1.3900 . ?
C109 C114 1.3900 . ?
C110 C111 1.3900 . ?
C111 C112 1.3900 . ?
C112 C113 1.3900 . ?
C113 C114 1.3900 . ?

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
O5 Dy1 Dy1 178.2(2) . 2_655 ?
O5 Dy1 N10 76.7(4) . . ?
O5 Dy1 O4 147.7(3) . . ?
O5 Dy1 N8 94.5(3) . . ?
O5 Dy1 N11 93.8(3) . . ?
O5 Dy1 N9 79.6(4) . . ?
O5 Dy1 N7 78.0(4) . . ?
O5 Dy1 N12 78.5(4) . . ?
O5 Dy1 O3 145.6(3) . . ?
N10 Dy1 Dy1 102.7(2) . 2_655 ?
N10 Dy1 N11 61.6(3) . . ?
N10 Dy1 N9 61.1(3) . . ?
N10 Dy1 N7 154.7(3) . . ?
N10 Dy1 N12 113.6(3) . . ?
O4 Dy1 Dy1 33.064(11) . 2_655 ?
O4 Dy1 N10 79.4(2) . . ?
O4 Dy1 N8 79.9(2) . . ?
O4 Dy1 N11 93.6(2) . . ?
O4 Dy1 N9 69.9(2) . . ?
O4 Dy1 N7 124.0(2) . . ?
O4 Dy1 N12 131.6(2) . . ?
O4 Dy1 O3 66.608(14) . . ?
N8 Dy1 Dy1 87.2(2) . 2_655 ?
N8 Dy1 N10 121.6(3) . . ?
N8 Dy1 N11 171.6(3) . . ?
N8 Dy1 N9 60.6(3) . . ?
N8 Dy1 N7 60.9(3) . . ?
N8 Dy1 N12 120.9(3) . . ?
N11 Dy1 Dy1 84.5(2) . 2_655 ?
N11 Dy1 N9 122.3(3) . . ?
N11 Dy1 N7 120.0(3) . . ?
N11 Dy1 N12 59.9(3) . . ?
N9 Dy1 Dy1 101.6(2) . 2_655 ?
N9 Dy1 N12 158.2(3) . . ?
N7 Dy1 Dy1 102.5(2) . 2_655 ?
N7 Dy1 N9 114.5(3) . . ?
N7 Dy1 N12 60.2(3) . . ?
N12 Dy1 Dy1 100.3(2) . 2_655 ?
O3 Dy1 Dy1 33.544(11) . 2_655 ?
O3 Dy1 N10 123.9(2) . . ?
O3 Dy1 N8 95.5(2) . . ?
O3 Dy1 N11 76.9(2) . . ?
O3 Dy1 N9 133.3(2) . . ?
O3 Dy1 N7 78.4(2) . . ?
O3 Dy1 N12 68.1(2) . . ?
N5 Dy2 Dy2 103.7(2) . 2_656 ?
N5 Dy2 N6 59.3(4) . . ?
N5 Dy2 N3 113.1(5) . . ?
N1 Dy2 Dy2 86.6(3) . 2_656 ?
N1 Dy2 N5 119.7(4) . . ?
N1 Dy2 N6 60.4(4) . . ?
N1 Dy2 N3 123.2(4) . . ?
N1 Dy2 N2 62.1(4) . . ?
O2 Dy2 Dy2 178.8(4) . 2_656 ?
O2 Dy2 N5 76.6(4) . . ?
O2 Dy2 N1 94.3(5) . . ?
O2 Dy2 N4 93.0(5) . . ?
O2 Dy2 N6 79.6(4) . . ?
O2 Dy2 O1 147.7(3) . . ?
O2 Dy2 O1 146.0(3) . 2_656 ?
O2 Dy2 N3 78.4(4) . . ?
O2 Dy2 N2 77.4(4) . . ?
N4 Dy2 Dy2 86.2(3) . 2_656 ?
N4 Dy2 N5 60.9(4) . . ?
N4 Dy2 N1 172.6(4) . . ?
N4 Dy2 N6 119.8(4) . . ?
N4 Dy2 N3 59.8(5) . . ?
N4 Dy2 N2 121.1(4) . . ?
N6 Dy2 Dy2 101.5(3) . 2_656 ?
N6 Dy2 N3 157.9(4) . . ?
O1 Dy2 Dy2 33.073(9) 2_656 2_656 ?
O1 Dy2 Dy2 33.217(9) . 2_656 ?
O1 Dy2 N5 78.3(2) . . ?
O1 Dy2 N5 125.5(3) 2_656 . ?
O1 Dy2 N1 80.9(3) . . ?
O1 Dy2 N1 94.7(3) 2_656 . ?
O1 Dy2 N4 80.0(3) 2_656 . ?
O1 Dy2 N4 92.2(3) . . ?
O1 Dy2 N6 132.7(3) 2_656 . ?
O1 Dy2 N6 70.2(2) . . ?
O1 Dy2 O1 66.271(16) . 2_656 ?
O1 Dy2 N3 69.2(3) 2_656 . ?
O1 Dy2 N3 130.7(3) . . ?
O1 Dy2 N2 78.1(2) 2_656 . ?
O1 Dy2 N2 125.7(2) . . ?
N3 Dy2 Dy2 100.5(3) . 2_656 ?
N2 Dy2 Dy2 102.4(2) . 2_656 ?
N2 Dy2 N5 154.0(3) . . ?
N2 Dy2 N6 115.3(4) . . ?
N2 Dy2 N3 61.3(5) . . ?
C19 O5 Dy1 168.7(7) . . ?
C29 N10 Dy1 121.5(8) . . ?
C67 N10 Dy1 122.5(7) . . ?
C67 N10 C29 115.6(10) . . ?
C19 C1 C6 120.3(15) . . ?
Dy1 O4 Dy1 113.87(2) . 2_655 ?
C4 B1 C7 107.1(10) . . ?
C4 B1 C15 111.3(10) . . ?
C4 B1 C17 110.4(10) . . ?
C15 B1 C7 110.4(9) . . ?
C15 B1 C17 104.7(10) . . ?
C17 B1 C7 112.9(10) . . ?
C81 N5 Dy2 119.8(10) . . ?
C87 N5 Dy2 122.4(12) . . ?
C87 N5 C81 117.1(15) . . ?
N7 C2 C36 117.4(12) . . ?
N7 C2 C49 124.2(12) . . ?
C49 C2 C36 118.3(13) . . ?
N7 C3 C11 114.5(12) . . ?
N7 C3 C54 122.9(14) . . ?
C54 C3 C11 122.5(11) . . ?
C32 C4 B1 121.1(12) . . ?
C46 C4 B1 126.2(13) . . ?
C46 C4 C32 112.7(12) . . ?
C6 C5 C20 122.1(16) . . ?
C6 C5 C24 116.9(15) . . ?
C24 C5 C20 121.0(18) . . ?
C11 N8 Dy1 123.5(9) . . ?
C11 N8 C56 119.1(10) . . ?
C56 N8 Dy1 117.2(6) . . ?
C1 C6 C5 122.7(14) . . ?
C12 C7 B1 125.9(12) . . ?
C12 C7 C21 115.4(12) . . ?
C21 C7 B1 118.8(11) . . ?
C27 C8 C47 118.7(15) . . ?
C16 C9 C29 118.4(12) . . ?
C73 N1 Dy2 118.7(17) . . ?
C73 N1 C86 124(2) . . ?
C86 N1 Dy2 116.6(9) . . ?
N8 C11 C3 119.8(10) . . ?
C18 N11 Dy1 118.4(7) . . ?
C39 N11 Dy1 121.7(8) . . ?
C39 N11 C18 119.7(10) . . ?
C7 C12 C95 121.7(15) . . ?
C23 N9 Dy1 122.5(7) . . ?
C37 N9 Dy1 120.3(8) . . ?
C37 N9 C23 117.3(10) . . ?
C2 N7 Dy1 122.5(8) . . ?
C2 N7 C3 117.1(12) . . ?
C3 N7 Dy1 120.1(10) . . ?
C43 O2 Dy2 160.9(11) . . ?
C35 C13 C87 119.7(18) . . ?
C65 C14 C50 114.4(18) . . ?
C75 C15 B1 127.5(10) . . ?
C75 C15 C83 113.6(11) . . ?
C83 C15 B1 118.9(11) . . ?
C9 C16 C34 119.5(13) . . ?
C55 C17 B1 122.6(11) . . ?
C55 C17 C74 113.2(12) . . ?
C74 C17 B1 122.9(11) . . ?
N11 C18 C60 107.5(10) . . ?
N11 C18 C76 116.7(10) . . ?
C60 C18 C76 111.0(10) . . ?
O5 C19 C62 115.0(14) . . ?
C1 C19 O5 125.0(15) . . ?
C1 C19 C62 119.7(14) . . ?
C64 C21 C7 125.4(15) . . ?
C28 N4 Dy2 120.8(11) . . ?
C28 N4 C68 120.7(17) . . ?
C68 N4 Dy2 117.9(13) . . ?
C38 C22 C75 119.6(11) . . ?
N9 C23 C33 115.3(10) . . ?
N9 C23 C56 107.9(9) . . ?
C33 C23 C56 109.7(9) . . ?
C62 C24 C5 119.2(16) . . ?
C43 C25 C41 122.0(16) . . ?
C49 C26 C54 120.8(14) . . ?
C8 C27 C82 119.5(15) . . ?
C36 N12 Dy1 120.7(8) . . ?
C36 N12 C60 117.8(12) . . ?
C60 N12 Dy1 120.6(8) . . ?
C50 N6 Dy2 119.7(10) . . ?
C89 N6 Dy2 120.5(11) . . ?
C89 N6 C50 119.7(14) . . ?
N4 C28 C81 122.6(19) . . ?
Dy1 O3 Dy1 112.91(2) . 2_655 ?
N10 C29 C9 124.5(13) . . ?
N10 C29 C39 114.3(10) . . ?
C9 C29 C39 120.9(10) . . ?
C81 C30 C35 121(2) . . ?
C70 C32 C4 126.3(15) . . ?
C71 C33 C23 111.3(11) . . ?
C16 C34 C67 117.8(13) . . ?
C13 C35 C30 118.4(18) . . ?
N12 C36 C2 117.5(13) . . ?
N9 C37 C67 119.4(11) . . ?
C85 C38 C22 119.0(13) . . ?
N11 C39 C29 120.2(9) . . ?
C47 C40 C90 112.6(15) . . ?
C47 C40 B2 121.2(17) . . ?
C90 C40 B2 126.2(16) . . ?
C66 C41 C25 122.7(18) . . ?
O2 C43 C25 123.4(14) . . ?
O2 C43 C92 120.2(16) . . ?
C25 C43 C92 116.2(14) . . ?
C64 C44 C95 118.5(13) . . ?
C42 C45 C79 120.0 . . ?
C42 C45 B2 121.7(10) . . ?
C79 C45 B2 118.2(10) . . ?
C63 C42 C45 120.0 . . ?
C42 C63 C72 120.0 . . ?
C96 C72 C63 120.0 . . ?
C79 C96 C72 120.0 . . ?
C96 C79 C45 120.0 . . ?
C4 C46 C52 121.4(15) . . ?
C40 C47 C8 126.5(17) . . ?
C69 C48 C74 120.3(15) . . ?
Dy2 O1 Dy2 113.710(16) . 2_656 ?
C26 C49 C2 116.3(14) . . ?
N6 C50 C14 114.4(15) . . ?
N6 C50 C86 106.6(11) . . ?
C86 C50 C14 108.7(13) . . ?
C92 C51 C66 122.2(16) . . ?
C84 C52 C46 119.8(16) . . ?
C94 C53 C60 111.4(13) . . ?
C26 C54 C3 118.8(14) . . ?
C58 C55 C17 124.5(14) . . ?
N8 C56 C23 107.6(9) . . ?
N8 C56 C80 117.3(9) . . ?
C80 C56 C23 111.5(10) . . ?
C97 C57 C86 111.8(16) . . ?
C55 C58 C69 120.5(15) . . ?
C71 C59 C80 111.3(11) . . ?
C18 C60 C53 112.0(12) . . ?
N12 C60 C18 107.1(10) . . ?
N12 C60 C53 114.9(12) . . ?
C76 C61 C94 110.3(12) . . ?
C24 C62 C19 120.8(14) . . ?
C21 C64 C44 118.3(15) . . ?
C14 C65 C97 111.1(15) . . ?
C41 C66 C31 121.0(18) . . ?
C41 C66 C51 114.9(15) . . ?
C51 C66 C31 124.1(17) . . ?
N10 C67 C34 124.0(10) . . ?
N10 C67 C37 116.0(10) . . ?
C34 C67 C37 119.8(11) . . ?
C91 N3 Dy2 118.9(11) . . ?
C93 N3 Dy2 116.0(15) . . ?
C93 N3 C91 125.1(17) . . ?
N4 C68 C77 119(2) . . ?
N4 C68 C91 105.9(15) . . ?
C77 C68 C91 108.7(17) . . ?
C48 C69 C58 118.3(14) . . ?
C84 C70 C32 117.6(17) . . ?
C59 C71 C33 111.0(11) . . ?
N1 C73 C10 126(3) . . ?
C17 C74 C48 122.5(13) . . ?
C15 C75 C22 123.6(10) . . ?
C61 C76 C18 109.8(11) . . ?
C68 C77 C78 113(2) . . ?
C102 C78 C77 107.4(17) . . ?
C56 C80 C59 109.4(10) . . ?
N5 C81 C28 114.5(17) . . ?
C30 C81 N5 121.6(17) . . ?
C30 C81 C28 124(2) . . ?
C27 C82 C90 120.3(18) . . ?
C85 C83 C15 122.4(14) . . ?
C70 C84 C52 122.0(16) . . ?
C38 C85 C83 121.3(15) . . ?
N1 C86 C50 108.4(12) . . ?
N1 C86 C57 115.5(14) . . ?
C50 C86 C57 109.8(12) . . ?
N5 C87 C13 121.9(18) . . ?
N5 C87 C89 116.6(15) . . ?
C13 C87 C89 121.5(15) . . ?
C98 C88 N2 120.0 . . ?
C98 C88 C93 124.2(11) . . ?
N2 C88 C93 115.8(11) . . ?
C100 C98 C88 120.0 . . ?
C98 C100 C99 120.0 . . ?
C10 C99 C100 120.0 . . ?
C99 C10 C73 127.1(15) . . ?
C99 C10 N2 120.0 . . ?
N2 C10 C73 112.9(15) . . ?
C88 N2 Dy2 121.2(6) . . ?
C10 N2 Dy2 118.7(6) . . ?
C10 N2 C88 120.0 . . ?
N6 C89 C87 120.5(14) . . ?
C82 C90 C40 122.3(17) . . ?
C40 B2 C45 115.2(15) . . ?
C40 B2 C105 108.9(15) . . ?
C40 B2 C109 104.0(16) . . ?
C45 B2 C109 109.6(13) . . ?
C105 B2 C45 106.1(15) . . ?
C105 B2 C109 113.1(14) . . ?
N3 C91 C68 105.6(16) . . ?
N3 C91 C101 109(2) . . ?
C68 C91 C101 111.6(17) . . ?
C51 C92 C43 121.9(17) . . ?
N3 C93 C88 125.7(18) . . ?
C53 C94 C61 109.7(12) . . ?
C44 C95 C12 120.6(16) . . ?
C65 C97 C57 111.5(17) . . ?
C102 C101 C91 109(2) . . ?
C101 C102 C78 110.2(18) . . ?
C104 C103 C108 120.0 . . ?
C103 C104 C105 120.0 . . ?
C104 C105 B2 119.7(10) . . ?
C104 C105 C106 120.0 . . ?
C106 C105 B2 120.3(10) . . ?
C107 C106 C105 120.0 . . ?
C108 C107 C106 120.0 . . ?
C107 C108 C103 120.0 . . ?
C110 C109 B2 126.6(11) . . ?
C110 C109 C114 120.0 . . ?
C114 C109 B2 113.4(11) . . ?
C111 C110 C109 120.0 . . ?
C110 C111 C112 120.0 . . ?
C113 C112 C111 120.0 . . ?
C114 C113 C112 120.0 . . ?
C113 C114 C109 120.0 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# 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_D6h_Me_R
_database_code_depnum_ccdc_archive 'CCDC 2099516'
loop_
_audit_author_name
_audit_author_address
'Chen Zhao '
;CIAC
China
;
_audit_update_record             
;
2021-07-27 deposited with the CCDC.	2022-05-31 downloaded from the CCDC.
;
_audit_creation_date             2021-07-10
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        D6h_Me_R
_chemical_formula_moiety         'C56 H48 Dy N6 O2, C24 H20 B'
_chemical_formula_sum            'C80 H68 B Dy N6 O2'
_chemical_formula_weight         1318.71
_chemical_absolute_configuration AD
_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'
B B 0.0013 0.0007 '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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   15.3455(2)
_cell_length_b                   16.8624(3)
_cell_length_c                   30.5626(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7908.4(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9801
_cell_measurement_temperature    180.0
_cell_measurement_theta_max      25.029
_cell_measurement_theta_min      2.235
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.989
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6671
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0629 before and 0.0524 after correction.
The Ratio of minimum to maximum transmission is 0.8952.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.108
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2708
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0236
_diffrn_reflns_av_unetI/netI     0.0331
_diffrn_reflns_Laue_measured_fraction_full 0.968
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            58068
_diffrn_reflns_point_group_measured_fraction_full 0.968
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.042
_diffrn_reflns_theta_min         2.235
_diffrn_ambient_temperature      180.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.988
_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                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.826
_reflns_Friedel_fraction_full    0.969
_reflns_Friedel_fraction_max     0.990
_reflns_number_gt                13547
_reflns_number_total             13856
_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 V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2013/4 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.353
_refine_diff_density_min         -0.383
_refine_diff_density_rms         0.078
_refine_ls_abs_structure_details 
;
 Flack x determined using 6031 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.032(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     813
_refine_ls_number_reflns         13856
_refine_ls_number_restraints     90
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0327
_refine_ls_restrained_S_all      1.079
_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)+(0.0565P)²+8.7836P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0957
_refine_ls_wR_factor_ref         0.0962
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C39) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C49) \\sim Ueq, Uanis(C65)
\\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C54) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C22) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C11) \\sim Ueq, Uanis(C35) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C71) \\sim Ueq, Uanis(C58) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C31) \\sim Ueq, Uanis(C77) \\sim Ueq, Uanis(C13) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C79) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3.a Ternary CH refined with riding coordinates:
 C4(H4), C6(H6), C36(H36), C44(H44)
3.b Aromatic/amide H refined with riding coordinates:
 C10(H10), C14(H14), C20(H20), C24(H24), C26(H26), C30(H30), C34(H34),
 C40(H40), C46(H46), C48(H48), C50(H50), C52(H52), C56(H56), C58(H58), C60(H60),
  C62(H62), C64(H64), C66(H66), C68(H68), C70(H70), C72(H72), C74(H74),
 C76(H76), C78(H78), C5(H5), C41(H41), C21(H21), C43(H43), C11(H11), C45(H45),
 C23(H23), C49(H49), C25(H25), C51(H51), C13(H13), C53(H53), C27(H27), C55(H55),
  C7(H7), C57(H57), C29(H29), C59(H59), C15(H15), C61(H61), C31(H31), C63(H63),
 C2(H2), C65(H65), C33(H33), C17(H17), C69(H69), C35(H35), C71(H71), C9(H9),
 C73(H73), C37(H37), C19(H19), C39(H39)
3.c Idealised Me refined as rotating group:
 C67(H67A,H67B,H67C), C79(H79A,H79B,H79C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.46080(2) 0.53232(2) 0.64324(2) 0.02330(8) Uani 1 1 d . . . . .
O1 O 0.5043(3) 0.4210(2) 0.66925(14) 0.0348(9) Uani 1 1 d . . . . .
N1 N 0.4932(3) 0.5892(3) 0.72142(15) 0.0297(10) Uani 1 1 d . . . . .
O2 O 0.4357(3) 0.6416(3) 0.61024(14) 0.0410(11) Uani 1 1 d . . . . .
N4 N 0.6251(3) 0.5744(3) 0.66344(15) 0.0291(10) Uani 1 1 d . . . . .
N6 N 0.5811(3) 0.5321(3) 0.58186(14) 0.0274(9) Uani 1 1 d . . . . .
N3 N 0.3072(3) 0.4638(3) 0.63017(13) 0.0259(9) Uani 1 1 d . . . . .
N2 N 0.4371(3) 0.4471(3) 0.57187(14) 0.0247(10) Uani 1 1 d . . . . .
N5 N 0.3285(3) 0.5697(3) 0.69482(15) 0.0282(10) Uani 1 1 d . . . . .
C1 C 0.5693(4) 0.3685(4) 0.6638(2) 0.0355(13) Uani 1 1 d . . . . .
C4 C 0.6567(3) 0.5871(4) 0.58714(18) 0.0276(12) Uani 1 1 d . . . . .
H4 H 0.6324 0.6420 0.5885 0.033 Uiso 1 1 calc R U . . .
C6 C 0.6952(4) 0.5691(4) 0.63201(19) 0.0333(13) Uani 1 1 d . . . . .
H6 H 0.7166 0.5131 0.6317 0.040 Uiso 1 1 calc R U . . .
C8 C 0.4291(4) 0.6069(4) 0.74857(18) 0.0349(13) Uani 1 1 d . . . . .
C10 C 0.3881(4) 0.1114(4) 0.5757(2) 0.0384(14) Uani 1 1 d . . . . .
H10 H 0.3801 0.1579 0.5586 0.046 Uiso 1 1 calc R U . . .
C12 C 0.2018(4) 0.1849(4) 0.5600(2) 0.0334(13) Uani 1 1 d . . . . .
C14 C 0.0539(4) 0.0878(4) 0.61014(18) 0.0343(13) Uani 1 1 d . . . . .
H14 H 0.0449 0.1393 0.6219 0.041 Uiso 1 1 calc R U . . .
C16 C 0.2260(3) 0.1757(3) 0.64830(19) 0.0285(11) Uani 1 1 d . . . . .
C18 C 0.5763(4) 0.5961(4) 0.73543(19) 0.0302(12) Uani 1 1 d . . . . .
C20 C 0.3422(4) 0.5991(4) 0.7326(2) 0.0352(14) Uani 1 1 d . . . . .
H20 H 0.2945 0.6159 0.7501 0.042 Uiso 1 1 calc R U . . .
C22 C 0.1404(4) 0.0642(4) 0.5992(2) 0.0346(13) Uani 1 1 d . U . . .
C24 C 0.2967(4) 0.4122(4) 0.59964(18) 0.0298(12) Uani 1 1 d . . . . .
H24 H 0.2446 0.3819 0.5981 0.036 Uiso 1 1 calc R U . . .
C26 C 0.6443(4) 0.5869(4) 0.70365(19) 0.0298(12) Uani 1 1 d . . . . .
H26 H 0.7036 0.5901 0.7124 0.036 Uiso 1 1 calc R U . . .
C28 C 0.5004(4) 0.4405(3) 0.54196(18) 0.0274(12) Uani 1 1 d . . . . .
C30 C 0.5745(4) 0.4912(4) 0.54719(18) 0.0304(13) Uani 1 1 d . . . . .
H30 H 0.6180 0.4941 0.5251 0.036 Uiso 1 1 calc R U . . .
C32 C 0.3183(4) 0.0812(4) 0.59995(19) 0.0321(13) Uani 1 1 d . . . . .
C34 C 0.1786(4) 0.1601(4) 0.68560(19) 0.0346(13) Uani 1 1 d . . . . .
H34 H 0.1361 0.1191 0.6848 0.042 Uiso 1 1 calc R U . . .
C36 C 0.2333(3) 0.4712(4) 0.66160(18) 0.0306(11) Uani 1 1 d . . . . .
H36 H 0.2451 0.4345 0.6866 0.037 Uiso 1 1 calc R U . . .
C38 C 0.1443(3) 0.4518(4) 0.6440(2) 0.0323(12) Uani 1 1 d . . . . .
C40 C 0.1906(5) 0.2020(4) 0.7244(2) 0.0397(15) Uani 1 1 d . . . . .
H40 H 0.1566 0.1888 0.7493 0.048 Uiso 1 1 calc R U . . .
C42 C 0.3661(3) 0.4008(4) 0.56730(18) 0.0280(11) Uani 1 1 d . . . . .
C44 C 0.2371(4) 0.5578(4) 0.6795(2) 0.0316(13) Uani 1 1 d . . . . .
H44 H 0.2257 0.5951 0.6547 0.038 Uiso 1 1 calc R U . . .
C46 C 0.0984(4) 0.3885(4) 0.6626(2) 0.0408(15) Uani 1 1 d . . . . .
H46 H 0.1240 0.3583 0.6855 0.049 Uiso 1 1 calc R U . . .
C48 C -0.0167(4) 0.0395(5) 0.6044(2) 0.0444(15) Uani 1 1 d . . . . .
H48 H -0.0728 0.0581 0.6126 0.053 Uiso 1 1 calc R U . . .
C50 C 0.3337(4) 0.0127(4) 0.6243(2) 0.0375(15) Uani 1 1 d . . . . .
H50 H 0.2872 -0.0100 0.6405 0.045 Uiso 1 1 calc R U . . .
C52 C 0.1439(4) -0.0113(4) 0.5807(3) 0.052(2) Uani 1 1 d . . . . .
H52 H 0.1997 -0.0306 0.5723 0.062 Uiso 1 1 calc R U . . .
C54 C 0.7724(4) 0.6227(5) 0.6415(2) 0.0450(16) Uani 1 1 d . U . . .
C56 C 0.2510(5) 0.2622(4) 0.7271(2) 0.0432(16) Uani 1 1 d . . . . .
H56 H 0.2573 0.2915 0.7534 0.052 Uiso 1 1 calc R U . . .
C58 C 0.8481(6) 0.5851(7) 0.4847(3) 0.068(3) Uani 1 1 d . U . . .
H58 H 0.8923 0.5854 0.4629 0.081 Uiso 1 1 calc R U . . .
C60 C 0.8429(5) 0.5237(6) 0.5128(3) 0.060(2) Uani 1 1 d . . . . .
H60 H 0.8823 0.4806 0.5096 0.072 Uiso 1 1 calc R U . . .
C62 C 0.5306(5) 0.6308(4) 0.8081(2) 0.0449(16) Uani 1 1 d . . . . .
H62 H 0.5428 0.6440 0.8377 0.054 Uiso 1 1 calc R U . . .
C64 C 0.1053(4) 0.4968(4) 0.6110(2) 0.0448(16) Uani 1 1 d . . . . .
H64 H 0.1342 0.5419 0.5992 0.054 Uiso 1 1 calc R U . . .
C66 C 0.5977(4) 0.6151(4) 0.7796(2) 0.0350(14) Uani 1 1 d . . . . .
H66 H 0.6567 0.6169 0.7890 0.042 Uiso 1 1 calc R U . . .
C68 C 0.4219(4) 0.3399(5) 0.5035(2) 0.0419(16) Uani 1 1 d . . . . .
H68 H 0.4172 0.3023 0.4805 0.050 Uiso 1 1 calc R U . . .
C70 C 0.1497(4) 0.2530(4) 0.5651(2) 0.0342(13) Uani 1 1 d . . . . .
H70 H 0.1314 0.2676 0.5937 0.041 Uiso 1 1 calc R U . . .
C72 C 0.5603(5) 0.3062(4) 0.63433(19) 0.0420(16) Uani 1 1 d . . . . .
H72 H 0.5071 0.2991 0.6189 0.050 Uiso 1 1 calc R U . . .
C74 C 0.4943(4) 0.3880(4) 0.5065(2) 0.0402(15) Uani 1 1 d . . . . .
H74 H 0.5390 0.3855 0.4851 0.048 Uiso 1 1 calc R U . . .
B1 B 0.2220(4) 0.1270(4) 0.6021(2) 0.0295(13) Uani 1 1 d . . . . .
C76 C 0.0152(4) 0.3696(4) 0.6476(3) 0.0487(17) Uani 1 1 d . . . . .
H76 H -0.0166 0.3273 0.6606 0.058 Uiso 1 1 calc R U . . .
C78 C 0.2877(4) 0.2379(3) 0.6522(2) 0.0321(13) Uani 1 1 d . . . . .
H78 H 0.3210 0.2521 0.6272 0.039 Uiso 1 1 calc R U . . .
C80 C 0.1693(4) 0.5723(5) 0.7148(2) 0.0398(16) Uani 1 1 d . . . . .
C5 C 0.2248(4) 0.1653(4) 0.51812(19) 0.0352(13) Uani 1 1 d . . . . .
H5 H 0.2592 0.1192 0.5137 0.042 Uiso 1 1 calc R U . . .
C41 C 0.7819(4) 0.5215(5) 0.5460(2) 0.0405(15) Uani 1 1 d . . . . .
H41 H 0.7793 0.4776 0.5655 0.049 Uiso 1 1 calc R U . . .
C21 C 0.3567(4) 0.3467(4) 0.5340(2) 0.0383(14) Uani 1 1 d . . . . .
H21 H 0.3060 0.3146 0.5322 0.046 Uiso 1 1 calc R U . . .
C43 C 0.4438(4) 0.6272(5) 0.7934(2) 0.0444(16) Uani 1 1 d . . . . .
H43 H 0.3965 0.6378 0.8127 0.053 Uiso 1 1 calc R U . . .
C11 C 0.6450(6) 0.3729(5) 0.6879(3) 0.059(2) Uani 1 1 d . U . . .
H11 H 0.6503 0.4132 0.7094 0.071 Uiso 1 1 calc R U . . .
C45 C 0.0237(5) 0.4747(6) 0.5956(3) 0.061(2) Uani 1 1 d . . . . .
H45 H -0.0015 0.5033 0.5720 0.073 Uiso 1 1 calc R U . . .
C23 C 0.4706(4) 0.0737(5) 0.5763(2) 0.0500(18) Uani 1 1 d . . . . .
H23 H 0.5169 0.0949 0.5593 0.060 Uiso 1 1 calc R U . . .
C47 C 0.4599(5) 0.6852(4) 0.5753(2) 0.0425(15) Uani 1 1 d . . . . .
C3 C 0.7228(4) 0.5863(4) 0.55064(19) 0.0356(14) Uani 1 1 d . . . . .
C49 C 0.8524(5) 0.5911(7) 0.6498(3) 0.070(3) Uani 1 1 d . U . . .
H49 H 0.8598 0.5352 0.6501 0.084 Uiso 1 1 calc R U . . .
C25 C 0.7652(6) 0.7026(6) 0.6405(3) 0.067(2) Uani 1 1 d . U . . .
H25 H 0.7100 0.7263 0.6350 0.081 Uiso 1 1 calc R U . . .
C51 C 0.3018(4) 0.2794(4) 0.6916(2) 0.0383(14) Uani 1 1 d . . . . .
H51 H 0.3458 0.3188 0.6934 0.046 Uiso 1 1 calc R U . . .
C13 C 0.4333(7) 0.6636(5) 0.5330(3) 0.063(2) Uani 1 1 d . U . . .
H13 H 0.3966 0.6189 0.5287 0.076 Uiso 1 1 calc R U . . .
C53 C -0.0087(4) -0.0340(6) 0.5875(3) 0.0568(19) Uani 1 1 d . . . . .
H53 H -0.0581 -0.0676 0.5849 0.068 Uiso 1 1 calc R U . . .
C27 C 0.1552(5) 0.5166(5) 0.7484(2) 0.053(2) Uani 1 1 d . . . . .
H27 H 0.1855 0.4674 0.7480 0.063 Uiso 1 1 calc R U . . .
C55 C -0.0208(4) 0.4133(5) 0.6135(3) 0.058(2) Uani 1 1 d . . . . .
H55 H -0.0769 0.4000 0.6026 0.070 Uiso 1 1 calc R U . . .
C7 C 0.2002(5) 0.2100(4) 0.4812(2) 0.0435(16) Uani 1 1 d . . . . .
H7 H 0.2182 0.1944 0.4528 0.052 Uiso 1 1 calc R U . . .
C57 C 0.6288(6) 0.2549(5) 0.6277(2) 0.056(2) Uani 1 1 d . . . . .
H57 H 0.6231 0.2146 0.6062 0.067 Uiso 1 1 calc R U . . .
C29 C 0.4843(4) 0.0073(5) 0.6009(3) 0.0507(19) Uani 1 1 d . . . . .
H29 H 0.5397 -0.0179 0.6015 0.061 Uiso 1 1 calc R U . . .
C59 C 0.0741(5) -0.0601(5) 0.5735(4) 0.064(2) Uani 1 1 d . . . . .
H59 H 0.0812 -0.1100 0.5596 0.077 Uiso 1 1 calc R U . . .
C15 C 0.7268(6) 0.6497(5) 0.5219(2) 0.058(2) Uani 1 1 d . . . . .
H15 H 0.6886 0.6937 0.5250 0.069 Uiso 1 1 calc R U . . .
C61 C 0.4138(5) -0.0228(5) 0.6255(3) 0.057(2) Uani 1 1 d . . . . .
H61 H 0.4222 -0.0685 0.6432 0.068 Uiso 1 1 calc R U . . .
C31 C 0.4612(9) 0.7081(6) 0.4977(3) 0.080(3) Uani 1 1 d . U . . .
H31 H 0.4478 0.6902 0.4691 0.096 Uiso 1 1 calc R U . . .
C63 C 0.1489(5) 0.2776(4) 0.4872(2) 0.0466(17) Uani 1 1 d . . . . .
H63 H 0.1308 0.3083 0.4627 0.056 Uiso 1 1 calc R U . . .
C2 C 0.1241(5) 0.2996(4) 0.5302(2) 0.0439(15) Uani 1 1 d . . . . .
H2 H 0.0902 0.3459 0.5350 0.053 Uiso 1 1 calc R U . . .
C65 C 0.8381(8) 0.7509(8) 0.6474(4) 0.098(4) Uani 1 1 d . U . . .
H65 H 0.8328 0.8070 0.6462 0.118 Uiso 1 1 calc R U . . .
C33 C 0.0685(6) 0.6615(7) 0.7516(3) 0.075(3) Uani 1 1 d . . . . .
H33 H 0.0405 0.7116 0.7536 0.090 Uiso 1 1 calc R U . . .
C67 C 0.7828(8) 0.2008(7) 0.6470(6) 0.116(5) Uani 1 1 d . . . . .
H67A H 0.7696 0.1615 0.6244 0.174 Uiso 1 1 calc R U . . .
H67B H 0.7919 0.1738 0.6751 0.174 Uiso 1 1 calc R U . . .
H67C H 0.8358 0.2299 0.6390 0.174 Uiso 1 1 calc R U . . .
C17 C 0.1264(5) 0.6440(6) 0.7154(3) 0.055(2) Uani 1 1 d . . . . .
H17 H 0.1345 0.6813 0.6925 0.066 Uiso 1 1 calc R U . . .
C69 C 0.5064(5) 0.7543(5) 0.5788(3) 0.0523(18) Uani 1 1 d . . . . .
H69 H 0.5238 0.7727 0.6069 0.063 Uiso 1 1 calc R U . . .
C35 C 0.7133(6) 0.3211(5) 0.6819(4) 0.068(2) Uani 1 1 d . U . . .
H35 H 0.7653 0.3269 0.6984 0.082 Uiso 1 1 calc R U . . .
C71 C 0.7907(7) 0.6474(7) 0.4871(3) 0.072(3) Uani 1 1 d . U . . .
H71 H 0.7928 0.6887 0.4660 0.086 Uiso 1 1 calc R U . . .
C9 C 0.5281(7) 0.7971(5) 0.5424(4) 0.076(3) Uani 1 1 d . . . . .
H9 H 0.5602 0.8449 0.5458 0.092 Uiso 1 1 calc R U . . .
C73 C 0.0552(5) 0.6075(9) 0.7816(3) 0.081(3) Uani 1 1 d . . . . .
H73 H 0.0150 0.6186 0.8045 0.097 Uiso 1 1 calc R U . . .
C37 C 0.0987(5) 0.5326(8) 0.7815(2) 0.072(3) Uani 1 1 d . . . . .
H37 H 0.0883 0.4949 0.8039 0.086 Uiso 1 1 calc R U . . .
C75 C 0.7055(6) 0.2598(5) 0.6513(3) 0.063(2) Uani 1 1 d . . . . .
C19 C 0.9144(8) 0.7179(11) 0.6555(4) 0.106(4) Uani 1 1 d . U . . .
H19 H 0.9637 0.7511 0.6598 0.127 Uiso 1 1 calc R U . . .
C77 C 0.5055(8) 0.7739(6) 0.5022(4) 0.082(3) Uani 1 1 d . U . . .
C39 C 0.9245(6) 0.6410(10) 0.6578(4) 0.100(4) Uani 1 1 d . U . . .
H39 H 0.9797 0.6190 0.6649 0.120 Uiso 1 1 calc R U . . .
C79 C 0.5290(13) 0.8206(8) 0.4584(5) 0.142(7) Uani 1 1 d . U . . .
H79A H 0.5214 0.7853 0.4332 0.213 Uiso 1 1 calc R U . . .
H79B H 0.5897 0.8385 0.4597 0.213 Uiso 1 1 calc R U . . .
H79C H 0.4904 0.8666 0.4553 0.213 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.145(4) . ?
Dy1 N1 2.622(5) . ?
Dy1 O2 2.136(4) . ?
Dy1 N4 2.691(5) . ?
Dy1 N6 2.632(4) . ?
Dy1 N3 2.656(4) . ?
Dy1 N2 2.637(4) . ?
Dy1 N5 2.647(5) . ?
O1 C1 1.344(8) . ?
N1 C8 1.321(8) . ?
N1 C18 1.350(7) . ?
O2 C47 1.349(8) . ?
N4 C6 1.445(7) . ?
N4 C26 1.282(7) . ?
N6 C4 1.494(7) . ?
N6 C30 1.268(7) . ?
N3 C24 1.286(8) . ?
N3 C36 1.491(6) . ?
N2 C28 1.339(7) . ?
N2 C42 1.348(7) . ?
N5 C20 1.274(8) . ?
N5 C44 1.493(7) . ?
C1 C72 1.391(9) . ?
C1 C11 1.376(10) . ?
C4 H4 1.0000 . ?
C4 C6 1.523(8) . ?
C4 C3 1.508(8) . ?
C6 H6 1.0000 . ?
C6 C54 1.518(9) . ?
C8 C20 1.427(9) . ?
C8 C43 1.431(8) . ?
C10 H10 0.9500 . ?
C10 C32 1.398(9) . ?
C10 C23 1.416(10) . ?
C12 C70 1.408(9) . ?
C12 B1 1.643(9) . ?
C12 C5 1.369(9) . ?
C14 H14 0.9500 . ?
C14 C22 1.426(9) . ?
C14 C48 1.367(9) . ?
C16 C34 1.377(9) . ?
C16 B1 1.635(9) . ?
C16 C78 1.419(8) . ?
C18 C26 1.435(8) . ?
C18 C66 1.425(8) . ?
C20 H20 0.9500 . ?
C22 C52 1.394(9) . ?
C22 B1 1.642(9) . ?
C24 H24 0.9500 . ?
C24 C42 1.466(8) . ?
C26 H26 0.9500 . ?
C28 C30 1.431(9) . ?
C28 C74 1.403(8) . ?
C30 H30 0.9500 . ?
C32 C50 1.394(9) . ?
C32 B1 1.670(8) . ?
C34 H34 0.9500 . ?
C34 C40 1.391(9) . ?
C36 H36 1.0000 . ?
C36 C38 1.504(7) . ?
C36 C44 1.561(9) . ?
C38 C46 1.399(9) . ?
C38 C64 1.398(9) . ?
C40 H40 0.9500 . ?
C40 C56 1.378(10) . ?
C42 C21 1.374(9) . ?
C44 H44 1.0000 . ?
C44 C80 1.518(8) . ?
C46 H46 0.9500 . ?
C46 C76 1.392(9) . ?
C48 H48 0.9500 . ?
C48 C53 1.348(12) . ?
C50 H50 0.9500 . ?
C50 C61 1.368(10) . ?
C52 H52 0.9500 . ?
C52 C59 1.368(11) . ?
C54 C49 1.363(11) . ?
C54 C25 1.352(12) . ?
C56 H56 0.9500 . ?
C56 C51 1.367(10) . ?
C58 H58 0.9500 . ?
C58 C60 1.348(14) . ?
C58 C71 1.372(15) . ?
C60 H60 0.9500 . ?
C60 C41 1.382(9) . ?
C62 H62 0.9500 . ?
C62 C66 1.376(10) . ?
C62 C43 1.407(10) . ?
C64 H64 0.9500 . ?
C64 C45 1.388(10) . ?
C66 H66 0.9500 . ?
C68 H68 0.9500 . ?
C68 C74 1.377(9) . ?
C68 C21 1.373(9) . ?
C70 H70 0.9500 . ?
C70 C2 1.380(9) . ?
C72 H72 0.9500 . ?
C72 C57 1.376(10) . ?
C74 H74 0.9500 . ?
C76 H76 0.9500 . ?
C76 C55 1.393(12) . ?
C78 H78 0.9500 . ?
C78 C51 1.410(9) . ?
C80 C27 1.408(11) . ?
C80 C17 1.377(11) . ?
C5 H5 0.9500 . ?
C5 C7 1.407(9) . ?
C41 H41 0.9500 . ?
C41 C3 1.427(10) . ?
C21 H21 0.9500 . ?
C43 H43 0.9500 . ?
C11 H11 0.9500 . ?
C11 C35 1.376(12) . ?
C45 H45 0.9500 . ?
C45 C55 1.355(12) . ?
C23 H23 0.9500 . ?
C23 C29 1.365(11) . ?
C47 C13 1.403(11) . ?
C47 C69 1.371(11) . ?
C3 C15 1.385(11) . ?
C49 H49 0.9500 . ?
C49 C39 1.410(15) . ?
C25 H25 0.9500 . ?
C25 C65 1.400(13) . ?
C51 H51 0.9500 . ?
C13 H13 0.9500 . ?
C13 C31 1.381(13) . ?
C53 H53 0.9500 . ?
C53 C59 1.412(11) . ?
C27 H27 0.9500 . ?
C27 C37 1.359(11) . ?
C55 H55 0.9500 . ?
C7 H7 0.9500 . ?
C7 C63 1.398(11) . ?
C57 H57 0.9500 . ?
C57 C75 1.383(13) . ?
C29 H29 0.9500 . ?
C29 C61 1.412(11) . ?
C59 H59 0.9500 . ?
C15 H15 0.9500 . ?
C15 C71 1.447(12) . ?
C61 H61 0.9500 . ?
C31 H31 0.9500 . ?
C31 C77 1.308(16) . ?
C63 H63 0.9500 . ?
C63 C2 1.420(10) . ?
C2 H2 0.9500 . ?
C65 H65 0.9500 . ?
C65 C19 1.32(2) . ?
C33 H33 0.9500 . ?
C33 C17 1.450(11) . ?
C33 C73 1.307(16) . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C67 C75 1.554(12) . ?
C17 H17 0.9500 . ?
C69 H69 0.9500 . ?
C69 C9 1.367(12) . ?
C35 H35 0.9500 . ?
C35 C75 1.398(14) . ?
C71 H71 0.9500 . ?
C9 H9 0.9500 . ?
C9 C77 1.336(16) . ?
C73 H73 0.9500 . ?
C73 C37 1.428(16) . ?
C37 H37 0.9500 . ?
C19 H19 0.9500 . ?
C19 C39 1.31(2) . ?
C77 C79 1.595(14) . ?
C39 H39 0.9500 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?

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 N1 85.59(16) . . ?
O1 Dy1 N4 81.59(16) . . ?
O1 Dy1 N6 92.55(16) . . ?
O1 Dy1 N3 87.22(16) . . ?
O1 Dy1 N2 82.70(15) . . ?
O1 Dy1 N5 103.09(16) . . ?
N1 Dy1 N4 61.12(14) . . ?
N1 Dy1 N6 121.15(15) . . ?
N1 Dy1 N3 117.67(14) . . ?
N1 Dy1 N2 168.26(15) . . ?
N1 Dy1 N5 61.02(14) . . ?
O2 Dy1 O1 170.45(17) . . ?
O2 Dy1 N1 98.57(17) . . ?
O2 Dy1 N4 92.84(17) . . ?
O2 Dy1 N6 77.94(17) . . ?
O2 Dy1 N3 98.31(17) . . ?
O2 Dy1 N2 93.13(16) . . ?
O2 Dy1 N5 86.42(16) . . ?
N6 Dy1 N4 60.45(14) . . ?
N6 Dy1 N3 120.98(14) . . ?
N6 Dy1 N2 60.41(14) . . ?
N6 Dy1 N5 164.36(15) . . ?
N3 Dy1 N4 168.80(15) . . ?
N2 Dy1 N4 117.55(14) . . ?
N2 Dy1 N3 61.06(13) . . ?
N2 Dy1 N5 121.11(14) . . ?
N5 Dy1 N4 121.29(14) . . ?
N5 Dy1 N3 60.80(14) . . ?
C1 O1 Dy1 139.6(4) . . ?
C8 N1 Dy1 121.0(4) . . ?
C8 N1 C18 118.9(5) . . ?
C18 N1 Dy1 120.0(4) . . ?
C47 O2 Dy1 142.6(4) . . ?
C6 N4 Dy1 121.9(3) . . ?
C26 N4 Dy1 118.6(4) . . ?
C26 N4 C6 118.4(5) . . ?
C4 N6 Dy1 117.8(3) . . ?
C30 N6 Dy1 122.7(4) . . ?
C30 N6 C4 119.3(5) . . ?
C24 N3 Dy1 121.0(3) . . ?
C24 N3 C36 115.4(5) . . ?
C36 N3 Dy1 122.8(3) . . ?
C28 N2 Dy1 120.7(4) . . ?
C28 N2 C42 117.9(5) . . ?
C42 N2 Dy1 120.9(3) . . ?
C20 N5 Dy1 120.4(4) . . ?
C20 N5 C44 119.4(5) . . ?
C44 N5 Dy1 120.2(3) . . ?
O1 C1 C72 120.2(6) . . ?
O1 C1 C11 121.7(6) . . ?
C11 C1 C72 118.1(7) . . ?
N6 C4 H4 106.9 . . ?
N6 C4 C6 106.0(5) . . ?
N6 C4 C3 115.9(5) . . ?
C6 C4 H4 106.9 . . ?
C3 C4 H4 106.9 . . ?
C3 C4 C6 113.8(5) . . ?
N4 C6 C4 107.3(4) . . ?
N4 C6 H6 107.9 . . ?
N4 C6 C54 114.6(5) . . ?
C4 C6 H6 107.9 . . ?
C54 C6 C4 110.9(5) . . ?
C54 C6 H6 107.9 . . ?
N1 C8 C20 117.4(5) . . ?
N1 C8 C43 122.6(6) . . ?
C20 C8 C43 119.8(6) . . ?
C32 C10 H10 119.5 . . ?
C32 C10 C23 121.0(7) . . ?
C23 C10 H10 119.5 . . ?
C70 C12 B1 120.4(5) . . ?
C5 C12 C70 116.5(6) . . ?
C5 C12 B1 122.6(6) . . ?
C22 C14 H14 118.6 . . ?
C48 C14 H14 118.6 . . ?
C48 C14 C22 122.8(6) . . ?
C34 C16 B1 126.8(5) . . ?
C34 C16 C78 115.1(5) . . ?
C78 C16 B1 117.9(5) . . ?
N1 C18 C26 117.6(5) . . ?
N1 C18 C66 122.5(5) . . ?
C66 C18 C26 119.8(5) . . ?
N5 C20 C8 120.0(5) . . ?
N5 C20 H20 120.0 . . ?
C8 C20 H20 120.0 . . ?
C14 C22 B1 121.1(5) . . ?
C52 C22 C14 112.7(6) . . ?
C52 C22 B1 125.5(6) . . ?
N3 C24 H24 120.4 . . ?
N3 C24 C42 119.1(5) . . ?
C42 C24 H24 120.4 . . ?
N4 C26 C18 119.9(5) . . ?
N4 C26 H26 120.0 . . ?
C18 C26 H26 120.0 . . ?
N2 C28 C30 116.8(5) . . ?
N2 C28 C74 122.1(5) . . ?
C74 C28 C30 121.1(5) . . ?
N6 C30 C28 118.7(5) . . ?
N6 C30 H30 120.6 . . ?
C28 C30 H30 120.6 . . ?
C10 C32 B1 122.0(6) . . ?
C50 C32 C10 117.1(6) . . ?
C50 C32 B1 120.8(5) . . ?
C16 C34 H34 118.7 . . ?
C16 C34 C40 122.5(6) . . ?
C40 C34 H34 118.7 . . ?
N3 C36 H36 107.7 . . ?
N3 C36 C38 116.3(5) . . ?
N3 C36 C44 106.0(5) . . ?
C38 C36 H36 107.7 . . ?
C38 C36 C44 111.2(5) . . ?
C44 C36 H36 107.7 . . ?
C46 C38 C36 118.6(6) . . ?
C64 C38 C36 121.9(6) . . ?
C64 C38 C46 119.5(6) . . ?
C34 C40 H40 119.5 . . ?
C56 C40 C34 121.0(6) . . ?
C56 C40 H40 119.5 . . ?
N2 C42 C24 116.2(5) . . ?
N2 C42 C21 123.1(5) . . ?
C21 C42 C24 120.7(5) . . ?
N5 C44 C36 105.7(5) . . ?
N5 C44 H44 108.5 . . ?
N5 C44 C80 113.5(5) . . ?
C36 C44 H44 108.5 . . ?
C80 C44 C36 112.0(5) . . ?
C80 C44 H44 108.5 . . ?
C38 C46 H46 119.9 . . ?
C76 C46 C38 120.2(7) . . ?
C76 C46 H46 119.9 . . ?
C14 C48 H48 119.2 . . ?
C53 C48 C14 121.7(6) . . ?
C53 C48 H48 119.2 . . ?
C32 C50 H50 119.0 . . ?
C61 C50 C32 122.0(7) . . ?
C61 C50 H50 119.0 . . ?
C22 C52 H52 117.1 . . ?
C59 C52 C22 125.7(7) . . ?
C59 C52 H52 117.1 . . ?
C49 C54 C6 120.4(8) . . ?
C25 C54 C6 121.7(7) . . ?
C25 C54 C49 117.9(8) . . ?
C40 C56 H56 120.3 . . ?
C51 C56 C40 119.5(6) . . ?
C51 C56 H56 120.3 . . ?
C60 C58 H58 119.5 . . ?
C60 C58 C71 121.1(8) . . ?
C71 C58 H58 119.5 . . ?
C58 C60 H60 119.0 . . ?
C58 C60 C41 121.9(9) . . ?
C41 C60 H60 119.0 . . ?
C66 C62 H62 120.1 . . ?
C66 C62 C43 119.8(6) . . ?
C43 C62 H62 120.1 . . ?
C38 C64 H64 120.5 . . ?
C45 C64 C38 118.9(7) . . ?
C45 C64 H64 120.5 . . ?
C18 C66 H66 120.9 . . ?
C62 C66 C18 118.1(6) . . ?
C62 C66 H66 120.9 . . ?
C74 C68 H68 120.2 . . ?
C21 C68 H68 120.2 . . ?
C21 C68 C74 119.5(6) . . ?
C12 C70 H70 118.6 . . ?
C2 C70 C12 122.7(6) . . ?
C2 C70 H70 118.6 . . ?
C1 C72 H72 120.2 . . ?
C57 C72 C1 119.6(7) . . ?
C57 C72 H72 120.2 . . ?
C28 C74 H74 120.7 . . ?
C68 C74 C28 118.5(6) . . ?
C68 C74 H74 120.7 . . ?
C12 B1 C32 114.3(5) . . ?
C16 B1 C12 112.6(5) . . ?
C16 B1 C22 113.5(5) . . ?
C16 B1 C32 103.4(4) . . ?
C22 B1 C12 101.5(5) . . ?
C22 B1 C32 112.0(5) . . ?
C46 C76 H76 120.4 . . ?
C46 C76 C55 119.2(7) . . ?
C55 C76 H76 120.4 . . ?
C16 C78 H78 118.6 . . ?
C51 C78 C16 122.7(6) . . ?
C51 C78 H78 118.6 . . ?
C27 C80 C44 121.1(6) . . ?
C17 C80 C44 118.6(7) . . ?
C17 C80 C27 120.2(6) . . ?
C12 C5 H5 118.3 . . ?
C12 C5 C7 123.4(7) . . ?
C7 C5 H5 118.3 . . ?
C60 C41 H41 120.6 . . ?
C60 C41 C3 118.8(8) . . ?
C3 C41 H41 120.6 . . ?
C42 C21 H21 120.6 . . ?
C68 C21 C42 118.8(6) . . ?
C68 C21 H21 120.6 . . ?
C8 C43 H43 121.1 . . ?
C62 C43 C8 117.7(6) . . ?
C62 C43 H43 121.1 . . ?
C1 C11 H11 118.7 . . ?
C1 C11 C35 122.5(8) . . ?
C35 C11 H11 118.7 . . ?
C64 C45 H45 119.2 . . ?
C55 C45 C64 121.7(8) . . ?
C55 C45 H45 119.2 . . ?
C10 C23 H23 119.6 . . ?
C29 C23 C10 120.8(7) . . ?
C29 C23 H23 119.6 . . ?
O2 C47 C13 120.5(7) . . ?
O2 C47 C69 122.9(7) . . ?
C69 C47 C13 116.5(7) . . ?
C41 C3 C4 120.5(6) . . ?
C15 C3 C4 119.5(7) . . ?
C15 C3 C41 120.0(6) . . ?
C54 C49 H49 119.8 . . ?
C54 C49 C39 120.4(11) . . ?
C39 C49 H49 119.8 . . ?
C54 C25 H25 119.7 . . ?
C54 C25 C65 120.7(11) . . ?
C65 C25 H25 119.7 . . ?
C56 C51 C78 119.0(6) . . ?
C56 C51 H51 120.5 . . ?
C78 C51 H51 120.5 . . ?
C47 C13 H13 120.4 . . ?
C31 C13 C47 119.1(9) . . ?
C31 C13 H13 120.4 . . ?
C48 C53 H53 120.5 . . ?
C48 C53 C59 119.0(7) . . ?
C59 C53 H53 120.5 . . ?
C80 C27 H27 119.8 . . ?
C37 C27 C80 120.5(9) . . ?
C37 C27 H27 119.8 . . ?
C76 C55 H55 119.8 . . ?
C45 C55 C76 120.4(6) . . ?
C45 C55 H55 119.8 . . ?
C5 C7 H7 120.5 . . ?
C63 C7 C5 118.9(6) . . ?
C63 C7 H7 120.5 . . ?
C72 C57 H57 118.8 . . ?
C72 C57 C75 122.4(7) . . ?
C75 C57 H57 118.8 . . ?
C23 C29 H29 121.0 . . ?
C23 C29 C61 118.0(6) . . ?
C61 C29 H29 121.0 . . ?
C52 C59 C53 118.0(8) . . ?
C52 C59 H59 121.0 . . ?
C53 C59 H59 121.0 . . ?
C3 C15 H15 120.8 . . ?
C3 C15 C71 118.4(9) . . ?
C71 C15 H15 120.8 . . ?
C50 C61 C29 121.1(7) . . ?
C50 C61 H61 119.4 . . ?
C29 C61 H61 119.4 . . ?
C13 C31 H31 118.6 . . ?
C77 C31 C13 122.7(10) . . ?
C77 C31 H31 118.6 . . ?
C7 C63 H63 120.5 . . ?
C7 C63 C2 119.0(6) . . ?
C2 C63 H63 120.5 . . ?
C70 C2 C63 119.4(6) . . ?
C70 C2 H2 120.3 . . ?
C63 C2 H2 120.3 . . ?
C25 C65 H65 120.2 . . ?
C19 C65 C25 119.5(13) . . ?
C19 C65 H65 120.2 . . ?
C17 C33 H33 120.4 . . ?
C73 C33 H33 120.4 . . ?
C73 C33 C17 119.3(10) . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C75 C67 H67A 109.5 . . ?
C75 C67 H67B 109.5 . . ?
C75 C67 H67C 109.5 . . ?
C80 C17 C33 118.8(9) . . ?
C80 C17 H17 120.6 . . ?
C33 C17 H17 120.6 . . ?
C47 C69 H69 119.6 . . ?
C9 C69 C47 120.7(9) . . ?
C9 C69 H69 119.6 . . ?
C11 C35 H35 120.2 . . ?
C11 C35 C75 119.5(8) . . ?
C75 C35 H35 120.2 . . ?
C58 C71 C15 119.6(9) . . ?
C58 C71 H71 120.2 . . ?
C15 C71 H71 120.2 . . ?
C69 C9 H9 119.0 . . ?
C77 C9 C69 122.1(10) . . ?
C77 C9 H9 119.0 . . ?
C33 C73 H73 118.7 . . ?
C33 C73 C37 122.7(8) . . ?
C37 C73 H73 118.7 . . ?
C27 C37 C73 118.5(9) . . ?
C27 C37 H37 120.7 . . ?
C73 C37 H37 120.7 . . ?
C57 C75 C67 124.6(10) . . ?
C57 C75 C35 117.8(7) . . ?
C35 C75 C67 117.6(10) . . ?
C65 C19 H19 118.9 . . ?
C39 C19 C65 122.2(11) . . ?
C39 C19 H19 118.9 . . ?
C31 C77 C9 118.7(9) . . ?
C31 C77 C79 116.6(12) . . ?
C9 C77 C79 124.7(12) . . ?
C49 C39 H39 120.3 . . ?
C19 C39 C49 119.3(11) . . ?
C19 C39 H39 120.3 . . ?
C77 C79 H79A 109.5 . . ?
C77 C79 H79B 109.5 . . ?
C77 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O1 C1 C72 -90.6(8) . . . . ?
Dy1 O1 C1 C11 91.4(8) . . . . ?
Dy1 N1 C8 C20 -4.2(8) . . . . ?
Dy1 N1 C8 C43 170.8(5) . . . . ?
Dy1 N1 C18 C26 12.3(8) . . . . ?
Dy1 N1 C18 C66 -170.3(5) . . . . ?
Dy1 O2 C47 C13 74.3(10) . . . . ?
Dy1 O2 C47 C69 -109.6(7) . . . . ?
Dy1 N4 C6 C4 33.6(6) . . . . ?
Dy1 N4 C6 C54 157.2(4) . . . . ?
Dy1 N4 C26 C18 -14.1(8) . . . . ?
Dy1 N6 C4 C6 54.2(5) . . . . ?
Dy1 N6 C4 C3 -178.5(4) . . . . ?
Dy1 N6 C30 C28 -2.6(8) . . . . ?
Dy1 N3 C24 C42 -10.0(7) . . . . ?
Dy1 N3 C36 C38 161.5(4) . . . . ?
Dy1 N3 C36 C44 37.4(6) . . . . ?
Dy1 N2 C28 C30 -9.6(7) . . . . ?
Dy1 N2 C28 C74 171.8(5) . . . . ?
Dy1 N2 C42 C24 11.2(7) . . . . ?
Dy1 N2 C42 C21 -170.1(5) . . . . ?
Dy1 N5 C20 C8 -4.4(9) . . . . ?
Dy1 N5 C44 C36 49.6(6) . . . . ?
Dy1 N5 C44 C80 172.7(4) . . . . ?
O1 C1 C72 C57 177.2(6) . . . . ?
O1 C1 C11 C35 -178.0(8) . . . . ?
N1 C8 C20 N5 5.7(10) . . . . ?
N1 C8 C43 C62 2.4(11) . . . . ?
N1 C18 C26 N4 1.5(9) . . . . ?
N1 C18 C66 C62 -3.4(10) . . . . ?
O2 C47 C13 C31 -178.1(8) . . . . ?
O2 C47 C69 C9 -178.9(7) . . . . ?
N4 C6 C54 C49 117.5(8) . . . . ?
N4 C6 C54 C25 -65.1(9) . . . . ?
N6 C4 C6 N4 -53.2(6) . . . . ?
N6 C4 C6 C54 -179.1(5) . . . . ?
N6 C4 C3 C41 -74.0(7) . . . . ?
N6 C4 C3 C15 107.1(7) . . . . ?
N3 C24 C42 N2 -0.7(8) . . . . ?
N3 C24 C42 C21 -179.4(6) . . . . ?
N3 C36 C38 C46 117.9(7) . . . . ?
N3 C36 C38 C64 -64.3(8) . . . . ?
N3 C36 C44 N5 -51.5(6) . . . . ?
N3 C36 C44 C80 -175.6(5) . . . . ?
N2 C28 C30 N6 8.0(8) . . . . ?
N2 C28 C74 C68 -2.3(10) . . . . ?
N2 C42 C21 C68 -0.9(10) . . . . ?
N5 C44 C80 C27 -75.2(8) . . . . ?
N5 C44 C80 C17 99.8(7) . . . . ?
C1 C72 C57 C75 3.9(11) . . . . ?
C1 C11 C35 C75 -2.1(15) . . . . ?
C4 N6 C30 C28 -178.1(5) . . . . ?
C4 C6 C54 C49 -120.9(7) . . . . ?
C4 C6 C54 C25 56.6(9) . . . . ?
C4 C3 C15 C71 -179.8(6) . . . . ?
C6 N4 C26 C18 177.1(6) . . . . ?
C6 C4 C3 C41 49.3(7) . . . . ?
C6 C4 C3 C15 -129.6(6) . . . . ?
C6 C54 C49 C39 178.9(8) . . . . ?
C6 C54 C25 C65 -177.1(8) . . . . ?
C8 N1 C18 C26 -171.7(6) . . . . ?
C8 N1 C18 C66 5.7(10) . . . . ?
C10 C32 C50 C61 1.6(10) . . . . ?
C10 C32 B1 C12 24.2(8) . . . . ?
C10 C32 B1 C16 -98.6(6) . . . . ?
C10 C32 B1 C22 138.9(6) . . . . ?
C10 C23 C29 C61 0.4(10) . . . . ?
C12 C70 C2 C63 1.7(10) . . . . ?
C12 C5 C7 C63 -0.6(10) . . . . ?
C14 C22 C52 C59 -0.7(12) . . . . ?
C14 C22 B1 C12 -71.8(7) . . . . ?
C14 C22 B1 C16 49.2(8) . . . . ?
C14 C22 B1 C32 165.8(5) . . . . ?
C14 C48 C53 C59 -2.8(13) . . . . ?
C16 C34 C40 C56 0.4(10) . . . . ?
C16 C78 C51 C56 -3.4(9) . . . . ?
C18 N1 C8 C20 179.8(6) . . . . ?
C18 N1 C8 C43 -5.2(10) . . . . ?
C20 N5 C44 C36 -131.5(6) . . . . ?
C20 N5 C44 C80 -8.4(9) . . . . ?
C20 C8 C43 C62 177.2(7) . . . . ?
C22 C14 C48 C53 -0.8(11) . . . . ?
C22 C52 C59 C53 -2.6(15) . . . . ?
C24 N3 C36 C38 -28.9(8) . . . . ?
C24 N3 C36 C44 -153.0(5) . . . . ?
C24 C42 C21 C68 177.7(6) . . . . ?
C26 N4 C6 C4 -158.0(5) . . . . ?
C26 N4 C6 C54 -34.4(8) . . . . ?
C26 C18 C66 C62 174.0(6) . . . . ?
C28 N2 C42 C24 -177.5(5) . . . . ?
C28 N2 C42 C21 1.1(8) . . . . ?
C30 N6 C4 C6 -130.1(6) . . . . ?
C30 N6 C4 C3 -2.8(8) . . . . ?
C30 C28 C74 C68 179.1(6) . . . . ?
C32 C10 C23 C29 -0.7(10) . . . . ?
C32 C50 C61 C29 -2.0(12) . . . . ?
C34 C16 B1 C12 125.7(6) . . . . ?
C34 C16 B1 C22 11.1(8) . . . . ?
C34 C16 B1 C32 -110.4(6) . . . . ?
C34 C16 C78 C51 1.7(8) . . . . ?
C34 C40 C56 C51 -2.0(10) . . . . ?
C36 N3 C24 C42 -179.9(5) . . . . ?
C36 C38 C46 C76 179.0(6) . . . . ?
C36 C38 C64 C45 178.6(6) . . . . ?
C36 C44 C80 C27 44.4(8) . . . . ?
C36 C44 C80 C17 -140.6(6) . . . . ?
C38 C36 C44 N5 -178.8(5) . . . . ?
C38 C36 C44 C80 57.1(7) . . . . ?
C38 C46 C76 C55 1.4(11) . . . . ?
C38 C64 C45 C55 3.5(12) . . . . ?
C40 C56 C51 C78 3.4(10) . . . . ?
C42 N2 C28 C30 179.1(5) . . . . ?
C42 N2 C28 C74 0.5(8) . . . . ?
C44 N5 C20 C8 176.7(6) . . . . ?
C44 C36 C38 C46 -120.7(6) . . . . ?
C44 C36 C38 C64 57.1(7) . . . . ?
C44 C80 C27 C37 175.5(6) . . . . ?
C44 C80 C17 C33 -173.5(7) . . . . ?
C46 C38 C64 C45 -3.6(10) . . . . ?
C46 C76 C55 C45 -1.5(12) . . . . ?
C48 C14 C22 C52 2.5(9) . . . . ?
C48 C14 C22 B1 173.9(6) . . . . ?
C48 C53 C59 C52 4.4(14) . . . . ?
C50 C32 B1 C12 -159.0(5) . . . . ?
C50 C32 B1 C16 78.2(6) . . . . ?
C50 C32 B1 C22 -44.3(7) . . . . ?
C52 C22 B1 C12 98.4(7) . . . . ?
C52 C22 B1 C16 -140.5(7) . . . . ?
C52 C22 B1 C32 -23.9(9) . . . . ?
C54 C49 C39 C19 -2.9(17) . . . . ?
C54 C25 C65 C19 -0.8(17) . . . . ?
C58 C60 C41 C3 0.0(10) . . . . ?
C60 C58 C71 C15 3.9(13) . . . . ?
C60 C41 C3 C4 -178.5(6) . . . . ?
C60 C41 C3 C15 0.4(9) . . . . ?
C64 C38 C46 C76 1.2(10) . . . . ?
C64 C45 C55 C76 -1.0(12) . . . . ?
C66 C18 C26 N4 -175.9(6) . . . . ?
C66 C62 C43 C8 0.0(11) . . . . ?
C70 C12 B1 C16 -31.7(7) . . . . ?
C70 C12 B1 C22 89.9(6) . . . . ?
C70 C12 B1 C32 -149.3(5) . . . . ?
C70 C12 C5 C7 0.9(9) . . . . ?
C72 C1 C11 C35 4.0(13) . . . . ?
C72 C57 C75 C67 176.4(9) . . . . ?
C72 C57 C75 C35 -1.9(12) . . . . ?
C74 C28 C30 N6 -173.3(6) . . . . ?
C74 C68 C21 C42 -1.0(11) . . . . ?
B1 C12 C70 C2 -173.9(6) . . . . ?
B1 C12 C5 C7 173.1(6) . . . . ?
B1 C16 C34 C40 175.9(6) . . . . ?
B1 C16 C78 C51 -174.7(5) . . . . ?
B1 C22 C52 C59 -171.7(8) . . . . ?
B1 C32 C50 C61 -175.4(6) . . . . ?
C78 C16 C34 C40 -0.2(9) . . . . ?
C78 C16 B1 C12 -58.3(7) . . . . ?
C78 C16 B1 C22 -172.9(5) . . . . ?
C78 C16 B1 C32 65.6(6) . . . . ?
C80 C27 C37 C73 -1.0(11) . . . . ?
C5 C12 C70 C2 -1.5(9) . . . . ?
C5 C12 B1 C16 156.4(5) . . . . ?
C5 C12 B1 C22 -82.0(6) . . . . ?
C5 C12 B1 C32 38.8(8) . . . . ?
C5 C7 C63 C2 0.8(11) . . . . ?
C41 C3 C15 C71 1.3(10) . . . . ?
C21 C68 C74 C28 2.5(11) . . . . ?
C43 C8 C20 N5 -169.4(7) . . . . ?
C43 C62 C66 C18 0.5(10) . . . . ?
C11 C1 C72 C57 -4.8(10) . . . . ?
C11 C35 C75 C57 0.9(13) . . . . ?
C11 C35 C75 C67 -177.5(10) . . . . ?
C23 C10 C32 C50 -0.3(9) . . . . ?
C23 C10 C32 B1 176.7(6) . . . . ?
C23 C29 C61 C50 0.9(12) . . . . ?
C47 C13 C31 C77 -6.1(16) . . . . ?
C47 C69 C9 C77 -0.2(14) . . . . ?
C3 C4 C6 N4 178.3(5) . . . . ?
C3 C4 C6 C54 52.4(7) . . . . ?
C3 C15 C71 C58 -3.4(12) . . . . ?
C49 C54 C25 C65 0.4(14) . . . . ?
C25 C54 C49 C39 1.4(13) . . . . ?
C25 C65 C19 C39 -1(2) . . . . ?
C13 C47 C69 C9 -2.6(11) . . . . ?
C13 C31 C77 C9 3.2(17) . . . . ?
C13 C31 C77 C79 -177.1(11) . . . . ?
C27 C80 C17 C33 1.5(11) . . . . ?
C7 C63 C2 C70 -1.3(11) . . . . ?
C65 C19 C39 C49 3(2) . . . . ?
C33 C73 C37 C27 -0.9(13) . . . . ?
C17 C80 C27 C37 0.6(10) . . . . ?
C17 C33 C73 C37 3.0(14) . . . . ?
C69 C47 C13 C31 5.5(12) . . . . ?
C69 C9 C77 C31 0.0(16) . . . . ?
C69 C9 C77 C79 -179.6(10) . . . . ?
C71 C58 C60 C41 -2.2(12) . . . . ?
C73 C33 C17 C80 -3.3(13) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.676 0.250 0.000 1057.4 167.4 '4 CH2Cl2'
2 0.476 -0.250 0.500 1057.4 164.2 '4 CH2Cl2'
3 -0.069 0.309 0.545 22.2 1.3 ?
4 0.069 0.809 0.955 22.2 1.4 ?
5 0.431 0.191 0.455 22.2 1.2 ?
6 0.569 0.691 0.045 22.2 1.5 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# 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_D6h_Me_S
_database_code_depnum_ccdc_archive 'CCDC 2099517'
loop_
_audit_author_name
_audit_author_address
'Chen Zhao '
;CIAC
China
;
_audit_update_record             
;
2021-07-27 deposited with the CCDC.	2022-05-31 downloaded from the CCDC.
;
_audit_creation_date             2021-07-10
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        D6h_Me_S
_chemical_formula_moiety         'C56 H48 Dy N6 O2, C24 H20 B'
_chemical_formula_sum            'C80 H68 B Dy N6 O2'
_chemical_formula_weight         1318.71
_chemical_absolute_configuration AD
_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'
B B 0.0013 0.0007 '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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   15.3363(3)
_cell_length_b                   16.8363(4)
_cell_length_c                   30.5645(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7892.0(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9153
_cell_measurement_temperature    180.0
_cell_measurement_theta_max      25.046
_cell_measurement_theta_min      2.656
_shelx_estimated_absorpt_T_max   0.907
_shelx_estimated_absorpt_T_min   0.826
_exptl_absorpt_coefficient_mu    0.991
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5673
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0968 before and 0.0621 after correction.
The Ratio of minimum to maximum transmission is 0.7613.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.110
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2708
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0281
_diffrn_reflns_av_unetI/netI     0.0331
_diffrn_reflns_Laue_measured_fraction_full 0.969
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            58209
_diffrn_reflns_point_group_measured_fraction_full 0.967
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.061
_diffrn_reflns_theta_min         2.237
_diffrn_ambient_temperature      180.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.987
_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                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.822
_reflns_Friedel_fraction_full    0.966
_reflns_Friedel_fraction_max     0.985
_reflns_number_gt                13441
_reflns_number_total             13819
_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 V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2013/4 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.539
_refine_diff_density_min         -0.413
_refine_diff_density_rms         0.070
_refine_ls_abs_structure_details 
;
 Flack x determined using 5944 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.027(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     801
_refine_ls_number_reflns         13819
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0321
_refine_ls_R_factor_gt           0.0310
_refine_ls_restrained_S_all      1.047
_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)+(0.0516P)²+7.2932P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0867
_refine_ls_wR_factor_ref         0.0876
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C39) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C79) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C17) \\sim Ueq, Uanis(C19) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
3.a Ternary CH refined with riding coordinates:
 C4(H4), C6(H6), C20(H20), C42(H42)
3.b Aromatic/amide H refined with riding coordinates:
 C10(H10), C14(H14), C22(H22), C26(H26), C28(H28), C32(H32), C38(H38),
 C40(H40), C44(H44), C46(H46), C48(H48), C50(H50), C52(H52), C56(H56), C60(H60),
  C62(H62), C64(H64), C66(H66), C68(H68), C70(H70), C72(H72), C74(H74),
 C76(H76), C78(H78), C80(H80), C5(H5), C21(H21), C43(H43), C11(H11), C23(H23),
 C47(H47), C3(H3), C51(H51), C13(H13), C53(H53), C55(H55), C7(H7), C57(H57),
 C29(H29), C59(H59), C15(H15), C61(H61), C31(H31), C63(H63), C2(H2), C65(H65),
 C33(H33), C67(H67), C17(H17), C19(H19), C39(H39), C49(H49), C25(H25), C35(H35),
  C71(H71), C9(H9), C37(H37), C75(H75)
3.c Fitted hexagon refined as free rotating group:
 C17(C19,C39,C49,C58,C25)
3.d Idealised Me refined as rotating group:
 C69(H69A,H69B,H69C), C79(H79A,H79B,H79C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.46075(2) 0.46748(2) 0.64322(2) 0.02255(7) Uani 1 1 d . . . . .
O1 O 0.5053(3) 0.5790(2) 0.66914(13) 0.0356(9) Uani 1 1 d . . . . .
O2 O 0.4356(3) 0.3585(3) 0.61018(13) 0.0408(10) Uani 1 1 d . . . . .
N1 N 0.4936(3) 0.4098(3) 0.72121(14) 0.0270(10) Uani 1 1 d . . . . .
N4 N 0.5818(3) 0.4677(3) 0.58152(13) 0.0263(9) Uani 1 1 d . . . . .
N6 N 0.6230(3) 0.4254(3) 0.66380(14) 0.0284(10) Uani 1 1 d . . . . .
N3 N 0.3060(3) 0.5363(3) 0.63031(13) 0.0261(9) Uani 1 1 d . . . . .
N2 N 0.4372(3) 0.5523(3) 0.57173(13) 0.0247(9) Uani 1 1 d . . . . .
N5 N 0.3285(3) 0.4297(3) 0.69525(14) 0.0285(10) Uani 1 1 d . . . . .
C1 C 0.5681(4) 0.6321(4) 0.66410(19) 0.0358(13) Uani 1 1 d . . . . .
C4 C 0.6565(3) 0.4130(4) 0.58711(18) 0.0287(12) Uani 1 1 d . . . . .
H4 H 0.6323 0.3580 0.5886 0.034 Uiso 1 1 calc R U . . .
C6 C 0.6963(3) 0.4312(4) 0.63159(17) 0.0311(12) Uani 1 1 d . . . . .
H6 H 0.7177 0.4873 0.6313 0.037 Uiso 1 1 calc R U . . .
C8 C 0.4296(4) 0.3930(4) 0.74957(17) 0.0312(12) Uani 1 1 d . . . . .
C10 C 0.3407(4) 0.4010(4) 0.73241(18) 0.0333(13) Uani 1 1 d . . . . .
H10 H 0.2924 0.3845 0.7496 0.040 Uiso 1 1 calc R U . . .
C12 C 0.2018(3) 0.8146(3) 0.56046(18) 0.0293(12) Uani 1 1 d . . . . .
C14 C 0.0544(3) 0.9128(4) 0.61049(18) 0.0327(12) Uani 1 1 d . . . . .
H14 H 0.0459 0.8614 0.6225 0.039 Uiso 1 1 calc R U . . .
C16 C 0.2264(3) 0.8232(3) 0.64815(18) 0.0276(11) Uani 1 1 d . . . . .
C18 C 0.1390(3) 0.9357(3) 0.59988(18) 0.0279(11) Uani 1 1 d . . . . .
C20 C 0.2334(3) 0.5278(4) 0.66200(16) 0.0281(11) Uani 1 1 d . . . . .
H20 H 0.2454 0.5644 0.6871 0.034 Uiso 1 1 calc R U . . .
C22 C 0.2964(3) 0.5850(3) 0.59947(17) 0.0275(11) Uani 1 1 d . . . . .
H22 H 0.2433 0.6137 0.5969 0.033 Uiso 1 1 calc R U . . .
C24 C 0.1435(3) 0.5483(3) 0.64413(19) 0.0302(11) Uani 1 1 d . . . . .
C26 C -0.0175(3) 0.9600(4) 0.60464(19) 0.0412(14) Uani 1 1 d . . . . .
H26 H -0.0738 0.9407 0.6120 0.049 Uiso 1 1 calc R U . . .
C28 C 0.6440(3) 0.4134(3) 0.70361(17) 0.0276(12) Uani 1 1 d . . . . .
H28 H 0.7035 0.4101 0.7120 0.033 Uiso 1 1 calc R U . . .
C30 C 0.4993(4) 0.5597(3) 0.54194(17) 0.0291(12) Uani 1 1 d . . . . .
C32 C 0.1778(4) 0.8391(4) 0.68607(18) 0.0323(12) Uani 1 1 d . . . . .
H32 H 0.1348 0.8797 0.6853 0.039 Uiso 1 1 calc R U . . .
C34 C 0.5758(4) 0.4048(4) 0.73577(18) 0.0280(11) Uani 1 1 d . . . . .
C36 C 0.3167(3) 0.9187(3) 0.59940(18) 0.0297(12) Uani 1 1 d . . . . .
C38 C 0.3881(4) 0.8891(4) 0.5757(2) 0.0363(13) Uani 1 1 d . . . . .
H38 H 0.3808 0.8424 0.5586 0.044 Uiso 1 1 calc R U . . .
C40 C 0.1467(4) 1.0119(4) 0.5807(2) 0.0465(17) Uani 1 1 d . . . . .
H40 H 0.2023 1.0305 0.5716 0.056 Uiso 1 1 calc R U . . .
C42 C 0.2373(3) 0.4417(3) 0.67972(17) 0.0274(11) Uani 1 1 d . . . . .
H42 H 0.2260 0.4043 0.6549 0.033 Uiso 1 1 calc R U . . .
C44 C 0.5745(3) 0.5076(3) 0.54766(16) 0.0270(11) Uani 1 1 d . . . . .
H44 H 0.6177 0.5042 0.5255 0.032 Uiso 1 1 calc R U . . .
C46 C 0.1906(4) 0.7974(4) 0.72445(19) 0.0372(14) Uani 1 1 d . . . . .
H46 H 0.1562 0.8096 0.7494 0.045 Uiso 1 1 calc R U . . .
C48 C 0.0975(4) 0.6109(4) 0.6629(2) 0.0409(15) Uani 1 1 d . . . . .
H48 H 0.1227 0.6402 0.6863 0.049 Uiso 1 1 calc R U . . .
C50 C 0.1054(4) 0.5047(4) 0.6114(2) 0.0421(15) Uani 1 1 d . . . . .
H50 H 0.1366 0.4616 0.5989 0.050 Uiso 1 1 calc R U . . .
C52 C 0.5617(5) 0.6944(4) 0.63413(17) 0.0416(15) Uani 1 1 d . . . . .
H52 H 0.5094 0.7011 0.6179 0.050 Uiso 1 1 calc R U . . .
C54 C 0.3660(3) 0.5981(3) 0.56740(16) 0.0260(10) Uani 1 1 d . . . . .
C56 C 0.5283(4) 0.3701(4) 0.80807(18) 0.0418(15) Uani 1 1 d . . . . .
H56 H 0.5396 0.3582 0.8379 0.050 Uiso 1 1 calc R U . . .
C60 C 0.2520(4) 0.7389(4) 0.7269(2) 0.0403(14) Uani 1 1 d . . . . .
H60 H 0.2605 0.7109 0.7536 0.048 Uiso 1 1 calc R U . . .
C62 C 0.5966(4) 0.3859(4) 0.77885(17) 0.0361(14) Uani 1 1 d . . . . .
H62 H 0.6556 0.3838 0.7882 0.043 Uiso 1 1 calc R U . . .
C64 C 0.4221(5) 0.6607(4) 0.5036(2) 0.0447(16) Uani 1 1 d . . . . .
H64 H 0.4178 0.6984 0.4806 0.054 Uiso 1 1 calc R U . . .
C66 C 0.1494(3) 0.7459(3) 0.56521(18) 0.0305(12) Uani 1 1 d . . . . .
H66 H 0.1311 0.7305 0.5937 0.037 Uiso 1 1 calc R U . . .
C68 C 0.6445(5) 0.6261(4) 0.6880(3) 0.056(2) Uani 1 1 d . . . . .
H68 H 0.6506 0.5849 0.7090 0.067 Uiso 1 1 calc R U . . .
C70 C 0.3572(4) 0.6544(4) 0.5340(2) 0.0361(13) Uani 1 1 d . . . . .
H70 H 0.3072 0.6875 0.5325 0.043 Uiso 1 1 calc R U . . .
C72 C 0.4459(4) 0.3723(4) 0.7925(2) 0.0461(16) Uani 1 1 d . . . . .
H72 H 0.3986 0.3594 0.8113 0.055 Uiso 1 1 calc R U . . .
C74 C 0.4941(4) 0.6117(4) 0.50656(19) 0.0365(13) Uani 1 1 d . . . . .
H74 H 0.5389 0.6134 0.4851 0.044 Uiso 1 1 calc R U . . .
C76 C 0.8432(4) 0.4753(8) 0.5134(3) 0.083(4) Uani 1 1 d . . . . .
H76 H 0.8839 0.5176 0.5107 0.100 Uiso 1 1 calc R U . . .
C78 C 0.2884(4) 0.7605(4) 0.6525(2) 0.0355(13) Uani 1 1 d . . . . .
H78 H 0.3222 0.7456 0.6278 0.043 Uiso 1 1 calc R U . . .
B1 B 0.2219(4) 0.8732(4) 0.6022(2) 0.0286(13) Uani 1 1 d . . . . .
C80 C 0.0218(4) 0.5222(5) 0.5959(2) 0.0531(18) Uani 1 1 d . . . . .
H80 H -0.0046 0.4908 0.5737 0.064 Uiso 1 1 calc R U . . .
C5 C 0.8478(6) 0.4113(8) 0.4838(3) 0.079(3) Uani 1 1 d . . . . .
H5 H 0.8904 0.4105 0.4612 0.095 Uiso 1 1 calc R U . . .
C41 C 0.1698(3) 0.4265(4) 0.7152(2) 0.0402(15) Uani 1 1 d . . . . .
C21 C 0.0155(4) 0.6308(4) 0.6478(3) 0.0537(18) Uani 1 1 d . . . . .
H21 H -0.0152 0.6742 0.6603 0.064 Uiso 1 1 calc R U . . .
C43 C 0.3337(4) 0.9865(4) 0.6240(2) 0.0438(16) Uani 1 1 d . . . . .
H43 H 0.2875 1.0081 0.6409 0.053 Uiso 1 1 calc R U . . .
C11 C 0.7821(4) 0.4788(4) 0.54605(19) 0.0409(15) Uani 1 1 d . . . . .
H11 H 0.7793 0.5235 0.5650 0.049 Uiso 1 1 calc R U . . .
C45 C 0.4584(5) 0.3141(4) 0.57549(19) 0.0403(13) Uani 1 1 d . . . . .
C23 C 0.3007(4) 0.7208(4) 0.69140(19) 0.0345(13) Uani 1 1 d . . . . .
H23 H 0.3438 0.6804 0.6933 0.041 Uiso 1 1 calc R U . . .
C47 C 0.2241(4) 0.8342(4) 0.51759(17) 0.0331(12) Uani 1 1 d . . . . .
H47 H 0.2588 0.8801 0.5128 0.040 Uiso 1 1 calc R U . . .
C3 C -0.0076(4) 1.0363(5) 0.5878(2) 0.0565(18) Uani 1 1 d . . . . .
H3 H -0.0562 1.0711 0.5854 0.068 Uiso 1 1 calc R U . . .
C51 C 0.1980(5) 0.7896(4) 0.4813(2) 0.0457(16) Uani 1 1 d . . . . .
H51 H 0.2131 0.8061 0.4525 0.055 Uiso 1 1 calc R U . . .
C13 C 0.1549(4) 0.4812(6) 0.7480(2) 0.056(2) Uani 1 1 d . . . . .
H13 H 0.1830 0.5314 0.7473 0.067 Uiso 1 1 calc R U . . .
C53 C -0.0218(4) 0.5873(5) 0.6142(3) 0.0567(19) Uani 1 1 d . . . . .
H53 H -0.0777 0.6018 0.6034 0.068 Uiso 1 1 calc R U . . .
C27 C 0.7229(4) 0.4141(4) 0.55106(18) 0.0366(14) Uani 1 1 d . . . . .
C55 C 0.4356(6) 0.3367(5) 0.5331(2) 0.064(2) Uani 1 1 d . . . . .
H55 H 0.4012 0.3829 0.5287 0.077 Uiso 1 1 calc R U . . .
C7 C 0.4703(4) 0.9266(4) 0.5764(2) 0.0449(15) Uani 1 1 d . . . . .
H7 H 0.5167 0.9052 0.5596 0.054 Uiso 1 1 calc R U . . .
C57 C 0.1502(5) 0.7219(5) 0.4878(2) 0.0505(18) Uani 1 1 d . . . . .
H57 H 0.1350 0.6894 0.4636 0.061 Uiso 1 1 calc R U . . .
C29 C 0.6287(6) 0.7453(5) 0.6278(2) 0.0549(19) Uani 1 1 d . . . . .
H29 H 0.6225 0.7864 0.6067 0.066 Uiso 1 1 calc R U . . .
C59 C 0.0731(5) 1.0600(5) 0.5749(3) 0.060(2) Uani 1 1 d . . . . .
H59 H 0.0798 1.1107 0.5616 0.072 Uiso 1 1 calc R U . . .
C15 C 0.5071(5) 0.2449(4) 0.5796(2) 0.0516(17) Uani 1 1 d . . . . .
H15 H 0.5245 0.2256 0.6075 0.062 Uiso 1 1 calc R U . . .
C61 C 0.7268(6) 0.3489(5) 0.5215(2) 0.057(2) Uani 1 1 d . . . . .
H61 H 0.6879 0.3052 0.5240 0.068 Uiso 1 1 calc R U . . .
C31 C 0.1239(4) 0.7003(4) 0.5294(2) 0.0405(14) Uani 1 1 d . . . . .
H31 H 0.0886 0.6546 0.5336 0.049 Uiso 1 1 calc R U . . .
C63 C 0.4624(9) 0.2930(6) 0.4976(2) 0.080(3) Uani 1 1 d . . . . .
H63 H 0.4488 0.3128 0.4693 0.096 Uiso 1 1 calc R U . . .
C2 C 0.4840(4) 0.9919(5) 0.6005(3) 0.055(2) Uani 1 1 d . . . . .
H2 H 0.5400 1.0160 0.6011 0.066 Uiso 1 1 calc R U . . .
C65 C 0.4145(5) 1.0247(5) 0.6252(3) 0.0586(19) Uani 1 1 d . . . . .
H65 H 0.4226 1.0714 0.6421 0.070 Uiso 1 1 calc R U . . .
C33 C 0.0666(5) 0.3375(7) 0.7512(3) 0.077(3) Uani 1 1 d . . . . .
H33 H 0.0356 0.2887 0.7518 0.093 Uiso 1 1 calc R U . . .
C67 C 0.7140(5) 0.6808(5) 0.6813(3) 0.067(2) Uani 1 1 d . . . . .
H67 H 0.7662 0.6765 0.6979 0.080 Uiso 1 1 calc R U . . .
C17 C 0.8352(4) 0.2466(3) 0.6480(2) 0.108(4) Uani 1 1 d G U . . .
H17 H 0.8288 0.1905 0.6471 0.130 Uiso 1 1 calc R U . . .
C19 C 0.9164(3) 0.2800(4) 0.6564(2) 0.094(4) Uani 1 1 d G U . . .
H19 H 0.9654 0.2468 0.6613 0.112 Uiso 1 1 calc R U . . .
C39 C 0.9257(2) 0.3621(5) 0.6577(2) 0.101(4) Uani 1 1 d G U . . .
H39 H 0.9812 0.3850 0.6634 0.121 Uiso 1 1 calc R U . . .
C49 C 0.8540(3) 0.4108(3) 0.65046(18) 0.077(3) Uani 1 1 d G . . . .
H49 H 0.8604 0.4669 0.6513 0.092 Uiso 1 1 calc R U . . .
C58 C 0.7728(2) 0.3774(3) 0.64201(16) 0.0459(16) Uani 1 1 d G . . . .
C25 C 0.7634(3) 0.2953(3) 0.64077(18) 0.060(2) Uani 1 1 d G . . . .
H25 H 0.7080 0.2725 0.6350 0.072 Uiso 1 1 calc R U . . .
C69 C 0.7809(7) 0.7972(6) 0.6444(5) 0.104(4) Uani 1 1 d . . . . .
H69A H 0.7608 0.8516 0.6496 0.156 Uiso 1 1 calc R U . . .
H69B H 0.8030 0.7927 0.6144 0.156 Uiso 1 1 calc R U . . .
H69C H 0.8275 0.7841 0.6651 0.156 Uiso 1 1 calc R U . . .
C35 C 0.0550(5) 0.3916(8) 0.7825(3) 0.083(3) Uani 1 1 d . . . . .
H35 H 0.0155 0.3806 0.8057 0.099 Uiso 1 1 calc R U . . .
C71 C 0.0986(6) 0.4626(8) 0.7821(2) 0.074(3) Uani 1 1 d . . . . .
H71 H 0.0904 0.4993 0.8053 0.089 Uiso 1 1 calc R U . . .
C9 C 0.1279(5) 0.3549(5) 0.7160(2) 0.056(2) Uani 1 1 d . . . . .
H9 H 0.1386 0.3167 0.6937 0.068 Uiso 1 1 calc R U . . .
C73 C 0.7050(5) 0.7397(5) 0.6507(3) 0.062(2) Uani 1 1 d . . . . .
C37 C 0.5299(7) 0.2043(6) 0.5407(4) 0.089(3) Uani 1 1 d . . . . .
H37 H 0.5650 0.1580 0.5432 0.106 Uiso 1 1 calc R U . . .
C75 C 0.7912(7) 0.3520(6) 0.4881(2) 0.070(3) Uani 1 1 d . . . . .
H75 H 0.7939 0.3093 0.4678 0.085 Uiso 1 1 calc R U . . .
C77 C 0.5042(9) 0.2278(7) 0.4999(3) 0.093(4) Uani 1 1 d . . . . .
C79 C 0.5282(12) 0.1811(8) 0.4575(4) 0.149(7) Uani 1 1 d . U . . .
H79A H 0.5917 0.1757 0.4555 0.223 Uiso 1 1 calc R U . . .
H79B H 0.5064 0.2099 0.4319 0.223 Uiso 1 1 calc R U . . .
H79C H 0.5015 0.1282 0.4585 0.223 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.149(4) . ?
Dy1 O2 2.129(4) . ?
Dy1 N1 2.623(4) . ?
Dy1 N4 2.646(4) . ?
Dy1 N6 2.662(5) . ?
Dy1 N3 2.671(4) . ?
Dy1 N2 2.635(4) . ?
Dy1 N5 2.655(4) . ?
O1 C1 1.324(7) . ?
O2 C45 1.344(7) . ?
N1 C8 1.340(7) . ?
N1 C34 1.339(7) . ?
N4 C4 1.479(7) . ?
N4 C44 1.239(7) . ?
N6 C6 1.498(6) . ?
N6 C28 1.275(7) . ?
N3 C20 1.482(6) . ?
N3 C22 1.258(7) . ?
N2 C30 1.323(7) . ?
N2 C54 1.344(7) . ?
N5 C10 1.248(7) . ?
N5 C42 1.491(6) . ?
C1 C52 1.396(9) . ?
C1 C68 1.383(9) . ?
C4 H4 1.0000 . ?
C4 C6 1.521(7) . ?
C4 C27 1.500(7) . ?
C6 H6 1.0000 . ?
C6 C58 1.516(6) . ?
C8 C10 1.467(8) . ?
C8 C72 1.380(8) . ?
C10 H10 0.9500 . ?
C12 C66 1.415(8) . ?
C12 B1 1.642(8) . ?
C12 C47 1.394(8) . ?
C14 H14 0.9500 . ?
C14 C18 1.392(7) . ?
C14 C26 1.370(8) . ?
C16 C32 1.404(8) . ?
C16 C78 1.427(8) . ?
C16 B1 1.639(8) . ?
C18 C40 1.416(8) . ?
C18 B1 1.653(8) . ?
C20 H20 1.0000 . ?
C20 C24 1.522(7) . ?
C20 C42 1.548(8) . ?
C22 H22 0.9500 . ?
C22 C54 1.466(7) . ?
C24 C48 1.394(9) . ?
C24 C50 1.372(9) . ?
C26 H26 0.9500 . ?
C26 C3 1.393(11) . ?
C28 H28 0.9500 . ?
C28 C34 1.442(8) . ?
C30 C44 1.460(8) . ?
C30 C74 1.393(8) . ?
C32 H32 0.9500 . ?
C32 C46 1.381(8) . ?
C34 C62 1.392(8) . ?
C36 C38 1.406(8) . ?
C36 B1 1.646(8) . ?
C36 C43 1.391(8) . ?
C38 H38 0.9500 . ?
C38 C7 1.410(9) . ?
C40 H40 0.9500 . ?
C40 C59 1.400(10) . ?
C42 H42 1.0000 . ?
C42 C41 1.521(7) . ?
C44 H44 0.9500 . ?
C46 H46 0.9500 . ?
C46 C60 1.364(9) . ?
C48 H48 0.9500 . ?
C48 C21 1.381(9) . ?
C50 H50 0.9500 . ?
C50 C80 1.398(8) . ?
C52 H52 0.9500 . ?
C52 C29 1.352(10) . ?
C54 C70 1.398(8) . ?
C56 H56 0.9500 . ?
C56 C62 1.402(8) . ?
C56 C72 1.351(9) . ?
C60 H60 0.9500 . ?
C60 C23 1.353(9) . ?
C62 H62 0.9500 . ?
C64 H64 0.9500 . ?
C64 C70 1.367(9) . ?
C64 C74 1.381(9) . ?
C66 H66 0.9500 . ?
C66 C31 1.392(8) . ?
C68 H68 0.9500 . ?
C68 C67 1.424(11) . ?
C70 H70 0.9500 . ?
C72 H72 0.9500 . ?
C74 H74 0.9500 . ?
C76 H76 0.9500 . ?
C76 C5 1.411(16) . ?
C76 C11 1.369(10) . ?
C78 H78 0.9500 . ?
C78 C23 1.377(9) . ?
C80 H80 0.9500 . ?
C80 C53 1.401(11) . ?
C5 H5 0.9500 . ?
C5 C75 1.331(15) . ?
C41 C13 1.381(11) . ?
C41 C9 1.365(11) . ?
C21 H21 0.9500 . ?
C21 C53 1.384(11) . ?
C43 H43 0.9500 . ?
C43 C65 1.397(9) . ?
C11 H11 0.9500 . ?
C11 C27 1.428(9) . ?
C45 C55 1.396(10) . ?
C45 C15 1.389(10) . ?
C23 H23 0.9500 . ?
C47 H47 0.9500 . ?
C47 C51 1.398(9) . ?
C3 H3 0.9500 . ?
C3 C59 1.359(10) . ?
C51 H51 0.9500 . ?
C51 C57 1.371(11) . ?
C13 H13 0.9500 . ?
C13 C71 1.388(10) . ?
C53 H53 0.9500 . ?
C27 C61 1.421(10) . ?
C55 H55 0.9500 . ?
C55 C63 1.374(12) . ?
C7 H7 0.9500 . ?
C7 C2 1.340(11) . ?
C57 H57 0.9500 . ?
C57 C31 1.382(9) . ?
C29 H29 0.9500 . ?
C29 C73 1.366(12) . ?
C59 H59 0.9500 . ?
C15 H15 0.9500 . ?
C15 C37 1.415(12) . ?
C61 H61 0.9500 . ?
C61 C75 1.422(12) . ?
C31 H31 0.9500 . ?
C63 H63 0.9500 . ?
C63 C77 1.272(16) . ?
C2 H2 0.9500 . ?
C2 C65 1.419(11) . ?
C65 H65 0.9500 . ?
C33 H33 0.9500 . ?
C33 C35 1.332(15) . ?
C33 C9 1.460(10) . ?
C67 H67 0.9500 . ?
C67 C73 1.371(13) . ?
C17 H17 0.9500 . ?
C17 C19 1.3900 . ?
C17 C25 1.3900 . ?
C19 H19 0.9500 . ?
C19 C39 1.3900 . ?
C39 H39 0.9500 . ?
C39 C49 1.3900 . ?
C49 H49 0.9500 . ?
C49 C58 1.3900 . ?
C58 C25 1.3900 . ?
C25 H25 0.9500 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C69 C73 1.526(10) . ?
C35 H35 0.9500 . ?
C35 C71 1.369(16) . ?
C71 H71 0.9500 . ?
C9 H9 0.9500 . ?
C37 H37 0.9500 . ?
C37 C77 1.368(17) . ?
C75 H75 0.9500 . ?
C77 C79 1.559(13) . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?

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 N1 85.82(15) . . ?
O1 Dy1 N4 92.19(15) . . ?
O1 Dy1 N6 81.25(15) . . ?
O1 Dy1 N3 87.61(15) . . ?
O1 Dy1 N2 82.88(14) . . ?
O1 Dy1 N5 103.40(15) . . ?
O2 Dy1 O1 170.05(16) . . ?
O2 Dy1 N1 98.44(16) . . ?
O2 Dy1 N4 77.90(15) . . ?
O2 Dy1 N6 92.99(16) . . ?
O2 Dy1 N3 98.21(16) . . ?
O2 Dy1 N2 92.79(14) . . ?
O2 Dy1 N5 86.50(15) . . ?
N1 Dy1 N4 120.88(14) . . ?
N1 Dy1 N6 60.47(13) . . ?
N1 Dy1 N3 117.76(13) . . ?
N1 Dy1 N2 168.69(14) . . ?
N1 Dy1 N5 60.91(13) . . ?
N4 Dy1 N6 60.86(13) . . ?
N4 Dy1 N3 121.17(13) . . ?
N4 Dy1 N5 164.40(15) . . ?
N6 Dy1 N3 168.80(14) . . ?
N2 Dy1 N4 60.29(13) . . ?
N2 Dy1 N6 117.91(13) . . ?
N2 Dy1 N3 61.36(12) . . ?
N2 Dy1 N5 121.46(13) . . ?
N5 Dy1 N6 120.58(13) . . ?
N5 Dy1 N3 60.89(13) . . ?
C1 O1 Dy1 141.2(4) . . ?
C45 O2 Dy1 143.8(4) . . ?
C8 N1 Dy1 121.7(3) . . ?
C8 N1 C34 117.5(4) . . ?
C34 N1 Dy1 120.4(3) . . ?
C4 N4 Dy1 117.4(3) . . ?
C44 N4 Dy1 122.2(4) . . ?
C44 N4 C4 120.2(4) . . ?
C6 N6 Dy1 122.0(3) . . ?
C28 N6 Dy1 120.3(4) . . ?
C28 N6 C6 116.6(4) . . ?
C20 N3 Dy1 121.9(3) . . ?
C22 N3 Dy1 119.8(3) . . ?
C22 N3 C20 117.7(5) . . ?
C30 N2 Dy1 121.6(3) . . ?
C30 N2 C54 117.6(4) . . ?
C54 N2 Dy1 120.3(3) . . ?
C10 N5 Dy1 121.5(4) . . ?
C10 N5 C42 118.9(5) . . ?
C42 N5 Dy1 119.6(3) . . ?
O1 C1 C52 122.2(6) . . ?
O1 C1 C68 120.3(6) . . ?
C68 C1 C52 117.5(6) . . ?
N4 C4 H4 107.2 . . ?
N4 C4 C6 106.8(4) . . ?
N4 C4 C27 115.7(4) . . ?
C6 C4 H4 107.2 . . ?
C27 C4 H4 107.2 . . ?
C27 C4 C6 112.4(4) . . ?
N6 C6 C4 105.8(4) . . ?
N6 C6 H6 108.2 . . ?
N6 C6 C58 113.9(4) . . ?
C4 C6 H6 108.2 . . ?
C58 C6 C4 112.3(5) . . ?
C58 C6 H6 108.2 . . ?
N1 C8 C10 115.5(4) . . ?
N1 C8 C72 122.4(5) . . ?
C72 C8 C10 122.1(5) . . ?
N5 C10 C8 120.0(5) . . ?
N5 C10 H10 120.0 . . ?
C8 C10 H10 120.0 . . ?
C66 C12 B1 121.2(5) . . ?
C47 C12 C66 115.4(5) . . ?
C47 C12 B1 122.8(5) . . ?
C18 C14 H14 118.0 . . ?
C26 C14 H14 118.0 . . ?
C26 C14 C18 124.0(6) . . ?
C32 C16 C78 114.7(5) . . ?
C32 C16 B1 125.9(5) . . ?
C78 C16 B1 119.2(5) . . ?
C14 C18 C40 115.2(5) . . ?
C14 C18 B1 122.1(5) . . ?
C40 C18 B1 122.0(5) . . ?
N3 C20 H20 107.6 . . ?
N3 C20 C24 115.0(4) . . ?
N3 C20 C42 106.9(4) . . ?
C24 C20 H20 107.6 . . ?
C24 C20 C42 111.9(4) . . ?
C42 C20 H20 107.6 . . ?
N3 C22 H22 119.5 . . ?
N3 C22 C54 120.9(5) . . ?
C54 C22 H22 119.5 . . ?
C48 C24 C20 118.8(5) . . ?
C50 C24 C20 121.8(5) . . ?
C50 C24 C48 119.3(5) . . ?
C14 C26 H26 120.1 . . ?
C14 C26 C3 119.7(5) . . ?
C3 C26 H26 120.1 . . ?
N6 C28 H28 120.5 . . ?
N6 C28 C34 118.9(5) . . ?
C34 C28 H28 120.5 . . ?
N2 C30 C44 115.4(5) . . ?
N2 C30 C74 123.6(5) . . ?
C74 C30 C44 121.0(5) . . ?
C16 C32 H32 119.0 . . ?
C46 C32 C16 121.9(6) . . ?
C46 C32 H32 119.0 . . ?
N1 C34 C28 116.7(5) . . ?
N1 C34 C62 123.0(5) . . ?
C62 C34 C28 120.1(5) . . ?
C38 C36 B1 123.3(5) . . ?
C43 C36 C38 115.1(5) . . ?
C43 C36 B1 121.3(5) . . ?
C36 C38 H38 119.0 . . ?
C36 C38 C7 121.9(6) . . ?
C7 C38 H38 119.0 . . ?
C18 C40 H40 119.7 . . ?
C59 C40 C18 120.6(6) . . ?
C59 C40 H40 119.7 . . ?
N5 C42 C20 105.9(4) . . ?
N5 C42 H42 108.5 . . ?
N5 C42 C41 112.9(4) . . ?
C20 C42 H42 108.5 . . ?
C41 C42 C20 112.4(5) . . ?
C41 C42 H42 108.5 . . ?
N4 C44 C30 119.8(5) . . ?
N4 C44 H44 120.1 . . ?
C30 C44 H44 120.1 . . ?
C32 C46 H46 119.6 . . ?
C60 C46 C32 120.8(6) . . ?
C60 C46 H46 119.6 . . ?
C24 C48 H48 119.8 . . ?
C21 C48 C24 120.4(7) . . ?
C21 C48 H48 119.8 . . ?
C24 C50 H50 119.2 . . ?
C24 C50 C80 121.6(6) . . ?
C80 C50 H50 119.2 . . ?
C1 C52 H52 119.4 . . ?
C29 C52 C1 121.1(7) . . ?
C29 C52 H52 119.5 . . ?
N2 C54 C22 116.1(5) . . ?
N2 C54 C70 122.6(5) . . ?
C70 C54 C22 121.3(5) . . ?
C62 C56 H56 121.0 . . ?
C72 C56 H56 121.0 . . ?
C72 C56 C62 117.9(5) . . ?
C46 C60 H60 120.0 . . ?
C23 C60 C46 120.0(5) . . ?
C23 C60 H60 120.0 . . ?
C34 C62 C56 118.4(5) . . ?
C34 C62 H62 120.8 . . ?
C56 C62 H62 120.8 . . ?
C70 C64 H64 120.3 . . ?
C70 C64 C74 119.4(5) . . ?
C74 C64 H64 120.3 . . ?
C12 C66 H66 119.0 . . ?
C31 C66 C12 122.0(5) . . ?
C31 C66 H66 119.0 . . ?
C1 C68 H68 119.6 . . ?
C1 C68 C67 120.7(7) . . ?
C67 C68 H68 119.6 . . ?
C54 C70 H70 120.7 . . ?
C64 C70 C54 118.6(5) . . ?
C64 C70 H70 120.7 . . ?
C8 C72 H72 119.6 . . ?
C56 C72 C8 120.8(6) . . ?
C56 C72 H72 119.6 . . ?
C30 C74 H74 120.9 . . ?
C64 C74 C30 118.1(5) . . ?
C64 C74 H74 120.9 . . ?
C5 C76 H76 118.8 . . ?
C11 C76 H76 118.8 . . ?
C11 C76 C5 122.4(10) . . ?
C16 C78 H78 119.0 . . ?
C23 C78 C16 122.0(6) . . ?
C23 C78 H78 119.0 . . ?
C12 B1 C16 111.4(5) . . ?
C12 B1 C18 101.8(4) . . ?
C12 B1 C36 114.0(4) . . ?
C16 B1 C18 113.3(4) . . ?
C16 B1 C36 104.3(4) . . ?
C36 B1 C18 112.4(5) . . ?
C50 C80 H80 121.0 . . ?
C50 C80 C53 117.9(7) . . ?
C53 C80 H80 121.0 . . ?
C76 C5 H5 120.8 . . ?
C75 C5 C76 118.5(7) . . ?
C75 C5 H5 120.8 . . ?
C13 C41 C42 121.2(6) . . ?
C9 C41 C42 118.7(6) . . ?
C9 C41 C13 119.9(6) . . ?
C48 C21 H21 120.1 . . ?
C53 C21 C48 119.8(7) . . ?
C53 C21 H21 120.1 . . ?
C36 C43 H43 118.0 . . ?
C36 C43 C65 124.0(6) . . ?
C65 C43 H43 118.0 . . ?
C76 C11 H11 120.6 . . ?
C76 C11 C27 118.7(8) . . ?
C27 C11 H11 120.6 . . ?
O2 C45 C55 121.1(7) . . ?
O2 C45 C15 122.3(6) . . ?
C15 C45 C55 116.6(6) . . ?
C60 C23 C78 120.5(6) . . ?
C60 C23 H23 119.7 . . ?
C78 C23 H23 119.7 . . ?
C12 C47 H47 118.4 . . ?
C12 C47 C51 123.3(6) . . ?
C51 C47 H47 118.4 . . ?
C26 C3 H3 120.7 . . ?
C59 C3 C26 118.5(6) . . ?
C59 C3 H3 120.7 . . ?
C47 C51 H51 120.5 . . ?
C57 C51 C47 118.9(6) . . ?
C57 C51 H51 120.5 . . ?
C41 C13 H13 120.1 . . ?
C41 C13 C71 119.8(9) . . ?
C71 C13 H13 120.1 . . ?
C80 C53 H53 119.6 . . ?
C21 C53 C80 120.8(6) . . ?
C21 C53 H53 119.6 . . ?
C11 C27 C4 121.3(6) . . ?
C61 C27 C4 119.1(6) . . ?
C61 C27 C11 119.6(6) . . ?
C45 C55 H55 119.6 . . ?
C63 C55 C45 120.8(9) . . ?
C63 C55 H55 119.6 . . ?
C38 C7 H7 119.4 . . ?
C2 C7 C38 121.2(6) . . ?
C2 C7 H7 119.4 . . ?
C51 C57 H57 119.7 . . ?
C51 C57 C31 120.6(6) . . ?
C31 C57 H57 119.7 . . ?
C52 C29 H29 118.9 . . ?
C52 C29 C73 122.3(7) . . ?
C73 C29 H29 118.9 . . ?
C40 C59 H59 119.1 . . ?
C3 C59 C40 121.9(6) . . ?
C3 C59 H59 119.1 . . ?
C45 C15 H15 121.3 . . ?
C45 C15 C37 117.5(8) . . ?
C37 C15 H15 121.3 . . ?
C27 C61 H61 121.4 . . ?
C75 C61 C27 117.2(9) . . ?
C75 C61 H61 121.4 . . ?
C66 C31 H31 120.1 . . ?
C57 C31 C66 119.8(6) . . ?
C57 C31 H31 120.1 . . ?
C55 C63 H63 117.6 . . ?
C77 C63 C55 124.7(9) . . ?
C77 C63 H63 117.6 . . ?
C7 C2 H2 120.2 . . ?
C7 C2 C65 119.6(6) . . ?
C65 C2 H2 120.2 . . ?
C43 C65 C2 118.3(7) . . ?
C43 C65 H65 120.9 . . ?
C2 C65 H65 120.9 . . ?
C35 C33 H33 120.7 . . ?
C35 C33 C9 118.6(9) . . ?
C9 C33 H33 120.7 . . ?
C68 C67 H67 120.3 . . ?
C73 C67 C68 119.3(7) . . ?
C73 C67 H67 120.3 . . ?
C19 C17 H17 120.0 . . ?
C19 C17 C25 120.0 . . ?
C25 C17 H17 120.0 . . ?
C17 C19 H19 120.0 . . ?
C17 C19 C39 120.0 . . ?
C39 C19 H19 120.0 . . ?
C19 C39 H39 120.0 . . ?
C49 C39 C19 120.0 . . ?
C49 C39 H39 120.0 . . ?
C39 C49 H49 120.0 . . ?
C39 C49 C58 120.0 . . ?
C58 C49 H49 120.0 . . ?
C49 C58 C6 119.4(4) . . ?
C49 C58 C25 120.0 . . ?
C25 C58 C6 120.5(4) . . ?
C17 C25 H25 120.0 . . ?
C58 C25 C17 120.0 . . ?
C58 C25 H25 120.0 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C73 C69 H69A 109.5 . . ?
C73 C69 H69B 109.5 . . ?
C73 C69 H69C 109.5 . . ?
C33 C35 H35 119.2 . . ?
C33 C35 C71 121.6(8) . . ?
C71 C35 H35 119.2 . . ?
C13 C71 H71 119.7 . . ?
C35 C71 C13 120.5(9) . . ?
C35 C71 H71 119.7 . . ?
C41 C9 C33 119.5(8) . . ?
C41 C9 H9 120.3 . . ?
C33 C9 H9 120.3 . . ?
C29 C73 C69 123.1(9) . . ?
C67 C73 C29 119.1(7) . . ?
C67 C73 C69 117.9(9) . . ?
C15 C37 H37 118.1 . . ?
C77 C37 C15 123.8(10) . . ?
C77 C37 H37 118.1 . . ?
C5 C75 C61 123.6(8) . . ?
C5 C75 H75 118.2 . . ?
C61 C75 H75 118.2 . . ?
C63 C77 C37 116.4(9) . . ?
C63 C77 C79 120.5(12) . . ?
C37 C77 C79 123.0(13) . . ?
C77 C79 H79A 109.5 . . ?
C77 C79 H79B 109.5 . . ?
C77 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O1 C1 C52 87.5(8) . . . . ?
Dy1 O1 C1 C68 -90.6(8) . . . . ?
Dy1 O2 C45 C55 -70.9(10) . . . . ?
Dy1 O2 C45 C15 107.5(7) . . . . ?
Dy1 N1 C8 C10 6.2(7) . . . . ?
Dy1 N1 C8 C72 -171.6(5) . . . . ?
Dy1 N1 C34 C28 -14.9(7) . . . . ?
Dy1 N1 C34 C62 170.3(5) . . . . ?
Dy1 N4 C4 C6 -55.0(5) . . . . ?
Dy1 N4 C4 C27 179.0(4) . . . . ?
Dy1 N4 C44 C30 3.2(7) . . . . ?
Dy1 N6 C6 C4 -33.9(6) . . . . ?
Dy1 N6 C6 C58 -157.7(3) . . . . ?
Dy1 N6 C28 C34 14.1(7) . . . . ?
Dy1 N3 C20 C24 -162.2(4) . . . . ?
Dy1 N3 C20 C42 -37.4(5) . . . . ?
Dy1 N3 C22 C54 6.9(7) . . . . ?
Dy1 N2 C30 C44 10.1(6) . . . . ?
Dy1 N2 C30 C74 -171.5(4) . . . . ?
Dy1 N2 C54 C22 -12.3(6) . . . . ?
Dy1 N2 C54 C70 168.7(4) . . . . ?
Dy1 N5 C10 C8 4.5(8) . . . . ?
Dy1 N5 C42 C20 -49.8(5) . . . . ?
Dy1 N5 C42 C41 -173.2(4) . . . . ?
O1 C1 C52 C29 -176.2(6) . . . . ?
O1 C1 C68 C67 177.1(7) . . . . ?
O2 C45 C55 C63 177.0(8) . . . . ?
O2 C45 C15 C37 -177.9(7) . . . . ?
N1 C8 C10 N5 -7.0(9) . . . . ?
N1 C8 C72 C56 1.8(11) . . . . ?
N1 C34 C62 C56 1.2(10) . . . . ?
N4 C4 C6 N6 53.8(6) . . . . ?
N4 C4 C6 C58 178.6(4) . . . . ?
N4 C4 C27 C11 73.4(7) . . . . ?
N4 C4 C27 C61 -106.9(6) . . . . ?
N6 C6 C58 C49 -118.3(5) . . . . ?
N6 C6 C58 C25 65.3(6) . . . . ?
N6 C28 C34 N1 0.3(8) . . . . ?
N6 C28 C34 C62 175.4(6) . . . . ?
N3 C20 C24 C48 -118.0(6) . . . . ?
N3 C20 C24 C50 64.8(7) . . . . ?
N3 C20 C42 N5 52.3(5) . . . . ?
N3 C20 C42 C41 176.0(4) . . . . ?
N3 C22 C54 N2 3.5(8) . . . . ?
N3 C22 C54 C70 -177.5(6) . . . . ?
N2 C30 C44 N4 -8.7(8) . . . . ?
N2 C30 C74 C64 3.1(9) . . . . ?
N2 C54 C70 C64 2.7(9) . . . . ?
N5 C42 C41 C13 76.3(7) . . . . ?
N5 C42 C41 C9 -99.2(7) . . . . ?
C1 C52 C29 C73 -1.2(11) . . . . ?
C1 C68 C67 C73 -0.4(13) . . . . ?
C4 N4 C44 C30 178.3(5) . . . . ?
C4 C6 C58 C49 121.5(4) . . . . ?
C4 C6 C58 C25 -54.9(5) . . . . ?
C4 C27 C61 C75 -179.4(6) . . . . ?
C6 N6 C28 C34 -178.0(5) . . . . ?
C6 C4 C27 C11 -49.7(7) . . . . ?
C6 C4 C27 C61 130.0(6) . . . . ?
C6 C58 C25 C17 176.4(5) . . . . ?
C8 N1 C34 C28 172.5(5) . . . . ?
C8 N1 C34 C62 -2.3(9) . . . . ?
C10 N5 C42 C20 131.0(6) . . . . ?
C10 N5 C42 C41 7.6(8) . . . . ?
C10 C8 C72 C56 -175.9(7) . . . . ?
C12 C66 C31 C57 0.2(9) . . . . ?
C12 C47 C51 C57 -2.0(11) . . . . ?
C14 C18 C40 C59 2.3(10) . . . . ?
C14 C18 B1 C12 71.0(6) . . . . ?
C14 C18 B1 C16 -48.7(7) . . . . ?
C14 C18 B1 C36 -166.6(5) . . . . ?
C14 C26 C3 C59 4.3(11) . . . . ?
C16 C32 C46 C60 0.4(9) . . . . ?
C16 C78 C23 C60 1.9(9) . . . . ?
C18 C14 C26 C3 -1.1(10) . . . . ?
C18 C40 C59 C3 0.8(13) . . . . ?
C20 N3 C22 C54 178.6(5) . . . . ?
C20 C24 C48 C21 -179.5(6) . . . . ?
C20 C24 C50 C80 178.0(6) . . . . ?
C20 C42 C41 C13 -43.5(7) . . . . ?
C20 C42 C41 C9 141.1(6) . . . . ?
C22 N3 C20 C24 26.3(7) . . . . ?
C22 N3 C20 C42 151.1(5) . . . . ?
C22 C54 C70 C64 -176.2(6) . . . . ?
C24 C20 C42 N5 179.0(4) . . . . ?
C24 C20 C42 C41 -57.3(6) . . . . ?
C24 C48 C21 C53 1.1(10) . . . . ?
C24 C50 C80 C53 1.6(10) . . . . ?
C26 C14 C18 C40 -2.2(9) . . . . ?
C26 C14 C18 B1 -172.8(5) . . . . ?
C26 C3 C59 C40 -4.1(14) . . . . ?
C28 N6 C6 C4 158.5(5) . . . . ?
C28 N6 C6 C58 34.7(7) . . . . ?
C28 C34 C62 C56 -173.5(6) . . . . ?
C30 N2 C54 C22 176.5(5) . . . . ?
C30 N2 C54 C70 -2.4(8) . . . . ?
C32 C16 C78 C23 -1.9(8) . . . . ?
C32 C16 B1 C12 -125.9(5) . . . . ?
C32 C16 B1 C18 -11.7(8) . . . . ?
C32 C16 B1 C36 110.8(6) . . . . ?
C32 C46 C60 C23 -0.5(9) . . . . ?
C34 N1 C8 C10 178.7(5) . . . . ?
C34 N1 C8 C72 0.9(9) . . . . ?
C36 C38 C7 C2 1.0(9) . . . . ?
C36 C43 C65 C2 -1.1(11) . . . . ?
C38 C36 B1 C12 -25.2(7) . . . . ?
C38 C36 B1 C16 96.5(6) . . . . ?
C38 C36 B1 C18 -140.3(5) . . . . ?
C38 C36 C43 C65 1.0(10) . . . . ?
C38 C7 C2 C65 -1.0(10) . . . . ?
C40 C18 B1 C12 -99.0(6) . . . . ?
C40 C18 B1 C16 141.3(6) . . . . ?
C40 C18 B1 C36 23.4(7) . . . . ?
C42 N5 C10 C8 -176.3(5) . . . . ?
C42 C20 C24 C48 119.8(6) . . . . ?
C42 C20 C24 C50 -57.4(7) . . . . ?
C42 C41 C13 C71 -174.2(6) . . . . ?
C42 C41 C9 C33 176.5(6) . . . . ?
C44 N4 C4 C6 129.7(5) . . . . ?
C44 N4 C4 C27 3.7(8) . . . . ?
C44 C30 C74 C64 -178.6(6) . . . . ?
C46 C60 C23 C78 -0.6(9) . . . . ?
C48 C24 C50 C80 0.8(9) . . . . ?
C48 C21 C53 C80 1.3(11) . . . . ?
C50 C24 C48 C21 -2.2(9) . . . . ?
C50 C80 C53 C21 -2.7(11) . . . . ?
C52 C1 C68 C67 -1.2(11) . . . . ?
C52 C29 C73 C67 -0.4(11) . . . . ?
C52 C29 C73 C69 -179.2(8) . . . . ?
C54 N2 C30 C44 -178.9(5) . . . . ?
C54 N2 C30 C74 -0.5(8) . . . . ?
C62 C56 C72 C8 -2.9(11) . . . . ?
C66 C12 B1 C16 32.4(7) . . . . ?
C66 C12 B1 C18 -88.7(6) . . . . ?
C66 C12 B1 C36 150.0(5) . . . . ?
C66 C12 C47 C51 -0.5(9) . . . . ?
C68 C1 C52 C29 1.9(10) . . . . ?
C68 C67 C73 C29 1.1(12) . . . . ?
C68 C67 C73 C69 -180.0(8) . . . . ?
C70 C64 C74 C30 -2.7(10) . . . . ?
C72 C8 C10 N5 170.8(7) . . . . ?
C72 C56 C62 C34 1.5(10) . . . . ?
C74 C30 C44 N4 172.8(6) . . . . ?
C74 C64 C70 C54 0.0(10) . . . . ?
C76 C5 C75 C61 -1.0(12) . . . . ?
C76 C11 C27 C4 177.9(5) . . . . ?
C76 C11 C27 C61 -1.8(8) . . . . ?
C78 C16 C32 C46 0.8(8) . . . . ?
C78 C16 B1 C12 58.4(6) . . . . ?
C78 C16 B1 C18 172.6(5) . . . . ?
C78 C16 B1 C36 -64.9(6) . . . . ?
B1 C12 C66 C31 173.0(5) . . . . ?
B1 C12 C47 C51 -171.9(6) . . . . ?
B1 C16 C32 C46 -175.1(5) . . . . ?
B1 C16 C78 C23 174.3(5) . . . . ?
B1 C18 C40 C59 173.0(7) . . . . ?
B1 C36 C38 C7 -175.4(5) . . . . ?
B1 C36 C43 C65 175.6(6) . . . . ?
C5 C76 C11 C27 2.0(10) . . . . ?
C41 C13 C71 C35 -2.7(11) . . . . ?
C43 C36 C38 C7 -0.9(8) . . . . ?
C43 C36 B1 C12 160.7(5) . . . . ?
C43 C36 B1 C16 -77.6(6) . . . . ?
C43 C36 B1 C18 45.5(7) . . . . ?
C11 C76 C5 C75 -0.7(11) . . . . ?
C11 C27 C61 C75 0.3(9) . . . . ?
C45 C55 C63 C77 4.3(16) . . . . ?
C45 C15 C37 C77 -2.3(13) . . . . ?
C47 C12 C66 C31 1.4(8) . . . . ?
C47 C12 B1 C16 -156.8(5) . . . . ?
C47 C12 B1 C18 82.1(6) . . . . ?
C47 C12 B1 C36 -39.1(7) . . . . ?
C47 C51 C57 C31 3.7(11) . . . . ?
C51 C57 C31 C66 -2.8(11) . . . . ?
C13 C41 C9 C33 1.0(10) . . . . ?
C27 C4 C6 N6 -178.3(5) . . . . ?
C27 C4 C6 C58 -53.5(6) . . . . ?
C27 C61 C75 C5 1.1(11) . . . . ?
C55 C45 C15 C37 0.6(10) . . . . ?
C55 C63 C77 C37 -5.7(17) . . . . ?
C55 C63 C77 C79 177.4(11) . . . . ?
C7 C2 C65 C43 1.0(11) . . . . ?
C15 C45 C55 C63 -1.4(12) . . . . ?
C15 C37 C77 C63 4.8(15) . . . . ?
C15 C37 C77 C79 -178.5(10) . . . . ?
C33 C35 C71 C13 1.8(13) . . . . ?
C17 C19 C39 C49 0.0 . . . . ?
C19 C17 C25 C58 0.0 . . . . ?
C19 C39 C49 C58 0.0 . . . . ?
C39 C49 C58 C6 -176.4(5) . . . . ?
C39 C49 C58 C25 0.0 . . . . ?
C49 C58 C25 C17 0.0 . . . . ?
C25 C17 C19 C39 0.0 . . . . ?
C35 C33 C9 C41 -1.8(12) . . . . ?
C9 C41 C13 C71 1.2(10) . . . . ?
C9 C33 C35 C71 0.4(14) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.695 -0.250 0.000 1056.4 194.5 '18 H2O'
2 -0.577 0.250 0.500 1056.4 191.7 '18 H2O'
3 0.070 0.196 0.951 24.2 0.0 ?
4 -0.070 0.696 0.549 24.2 0.0 ?
5 0.430 0.804 0.451 24.2 0.0 ?
6 0.570 0.304 0.049 24.2 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_preparation       'Magnetic properties'
