# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

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

data_compound_1
_database_code_depnum_ccdc_archive 'CCDC 1991872'
loop_
_audit_author_name
_audit_author_address
'Jose Martinez-Lillo'
;University of Valencia
Spain
;
_audit_update_record             
;
2020-05-15 deposited with the CCDC.	2020-06-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         C12H38N6O16Dy2,6(ClO4),5(H2O)
_chemical_formula_sum            'C12 H48 N6 O45 Cl6 Dy2'
_chemical_formula_weight         1534.26

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.3988(6)
_cell_length_b                   13.9723(7)
_cell_length_c                   15.4694(8)
_cell_angle_alpha                96.431(2)
_cell_angle_beta                 102.599(2)
_cell_angle_gamma                106.044(2)
_cell_volume                     2271.5(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    126319
_cell_measurement_theta_min      2.25
_cell_measurement_theta_max      29.58

_exptl_crystal_description       parallelepiped
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.243
_exptl_crystal_F_000             1512
_exptl_transmission_factor_min   0.54
_exptl_transmission_factor_max   0.78
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.125
_exptl_crystal_size_min          0.061
_exptl_absorpt_coefficient_mu    3.752
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.651
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   
'SADABS (version 2.03) was used for absorption correction. R(int) was 0.1170 before and 0.0583 after correction. The ratio of minimum to maximum apparent transmission was 0.8728'
_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'D8 VENTURE'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean 'PHOTON II'
_diffrn_reflns_number            126319
_diffrn_reflns_av_unetI/netI     0.0250
_diffrn_reflns_av_R_equivalents  0.0514
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.245
_diffrn_reflns_theta_max         29.579
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             12739
_reflns_number_gt                10433
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX'
_computing_cell_refinement       'Bruker APEX'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  DIAMOND
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0154P)²+3.5251P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12739
_refine_ls_number_parameters     700
_refine_ls_number_restraints     27
_refine_ls_R_factor_all          0.0344
_refine_ls_R_factor_gt           0.0213
_refine_ls_wR_factor_ref         0.0509
_refine_ls_wR_factor_gt          0.0439
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_restrained_S_all      1.085
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.65206(2) 0.13538(2) 0.63698(2) 0.00726(3) Uani 1 1 d . . . . .
Dy2 Dy 0.85674(2) 0.36947(2) 0.86210(2) 0.00814(3) Uani 1 1 d . . . . .
O1 O 0.80413(17) 0.06022(13) 0.72023(11) 0.0125(3) Uani 1 1 d . . . . .
O2 O 0.85933(17) 0.21574(13) 0.79660(12) 0.0139(4) Uani 1 1 d . . . . .
O3 O 0.83004(16) 0.25320(13) 0.61701(11) 0.0112(3) Uani 1 1 d . . . . .
O4 O 0.90353(16) 0.39387(13) 0.72492(11) 0.0117(3) Uani 1 1 d . . . . .
O5 O 0.63134(16) 0.28800(12) 0.69012(12) 0.0109(3) Uani 1 1 d . . . . .
O6 O 0.69893(16) 0.43535(13) 0.78439(11) 0.0121(3) Uani 1 1 d . . . . .
O7 O 0.58988(17) 0.10454(13) 0.77033(11) 0.0119(3) Uani 1 1 d . . . . .
O8 O 0.67193(17) 0.24896(13) 0.87309(12) 0.0126(3) Uani 1 1 d . . . . .
O9 O 0.53886(16) -0.03291(13) 0.59955(11) 0.0118(3) Uani 1 1 d . . . . .
O10 O 0.42236(17) -0.17586(13) 0.50284(11) 0.0124(3) Uani 1 1 d . . . . .
O11 O 0.96057(17) 0.54233(13) 0.90095(12) 0.0139(4) Uani 1 1 d . . . . .
O12 O 1.05471(18) 0.68351(13) 1.00505(12) 0.0146(4) Uani 1 1 d . . . . .
O13 O 1.18591(18) 0.16896(14) 0.28276(12) 0.0154(4) Uani 1 1 d . . . . .
O14 O 1.29193(19) 0.17326(18) 0.43231(14) 0.0267(5) Uani 1 1 d . . . . .
O15 O 1.1458(2) 0.26310(15) 0.40220(15) 0.0262(5) Uani 1 1 d . . . . .
O16 O 1.07623(19) 0.08491(14) 0.37934(13) 0.0191(4) Uani 1 1 d . . . . .
O17 O 1.35651(19) 0.23452(16) 0.75077(14) 0.0238(4) Uani 1 1 d . . . . .
O18 O 1.2362(2) 0.3411(2) 0.7084(2) 0.0498(8) Uani 1 1 d . . . . .
O19 O 1.2425(2) 0.28467(18) 0.84611(15) 0.0316(5) Uani 1 1 d . . . . .
O20 O 1.1331(2) 0.17039(16) 0.71077(14) 0.0254(5) Uani 1 1 d . . . . .
O21 O 0.7570(2) 0.39530(16) 0.42859(15) 0.0268(5) Uani 1 1 d . . . . .
O22 O 0.74108(19) 0.55892(14) 0.45393(15) 0.0220(4) Uani 1 1 d . . . . .
O23 O 0.7437(2) 0.46512(18) 0.57071(14) 0.0290(5) Uani 1 1 d . . . . .
O24 O 0.56596(18) 0.41894(15) 0.44672(14) 0.0203(4) Uani 1 1 d . . . . .
O25 O 0.6166(2) 0.66008(17) 0.77241(14) 0.0258(5) Uani 1 1 d . . . . .
O26 O 0.6391(2) 0.64699(17) 0.92580(15) 0.0296(5) Uani 1 1 d . . . . .
O27 O 0.4947(2) 0.72372(14) 0.85367(14) 0.0222(4) Uani 1 1 d . . . . .
O28 O 0.45364(19) 0.54772(14) 0.81657(14) 0.0203(4) Uani 1 1 d . . . . .
O29 O 0.3606(2) 0.03381(18) 1.05577(15) 0.0297(5) Uani 1 1 d . . . . .
O30 O 0.2373(2) 0.11393(18) 0.96720(14) 0.0273(5) Uani 1 1 d . . . . .
O31 O 0.1986(2) 0.07675(16) 1.10505(13) 0.0249(5) Uani 1 1 d . . . . .
O32 O 0.1456(2) -0.05341(18) 0.97983(15) 0.0379(6) Uani 1 1 d . . . . .
O33 O 0.1953(2) -0.16910(18) 0.64486(15) 0.0340(6) Uani 1 1 d . . . . .
O34 O 0.34013(19) -0.10516(16) 0.78696(14) 0.0230(4) Uani 1 1 d . . . . .
O35 O 0.2286(2) -0.00307(15) 0.71716(15) 0.0268(5) Uani 1 1 d . . . . .
O36 O 0.1227(2) -0.14146(17) 0.77308(16) 0.0298(5) Uani 1 1 d . . . . .
C1 C 0.8747(2) 0.13008(18) 0.78389(16) 0.0096(4) Uani 1 1 d . . . . .
C2 C 0.9813(2) 0.11264(18) 0.85043(16) 0.0105(4) Uani 1 1 d . . . . .
H02A H 1.057748 0.172255 0.862876 0.013 Uiso 1 1 calc R U . . .
H02B H 0.957828 0.104826 0.907796 0.013 Uiso 1 1 calc R U . . .
C3 C 0.8993(2) 0.34218(18) 0.65179(16) 0.0095(4) Uani 1 1 d . . . . .
C4 C 0.9920(2) 0.39438(19) 0.60178(17) 0.0132(5) Uani 1 1 d . . . . .
H04A H 0.980593 0.460719 0.593186 0.016 Uiso 1 1 calc R U . . .
H04B H 1.079432 0.406893 0.638336 0.016 Uiso 1 1 calc R U . . .
C5 C 0.6248(2) 0.37435(18) 0.71530(16) 0.0092(4) Uani 1 1 d . . . . .
C6 C 0.5202(2) 0.40769(19) 0.66233(16) 0.0123(5) Uani 1 1 d . . . . .
H06A H 0.464186 0.418256 0.700760 0.015 Uiso 1 1 calc R U . . .
H06B H 0.557124 0.472992 0.644543 0.015 Uiso 1 1 calc R U . . .
C7 C 0.5938(2) 0.16350(18) 0.83989(16) 0.0101(4) Uani 1 1 d . . . . .
C8 C 0.4910(2) 0.12574(18) 0.88707(17) 0.0127(5) Uani 1 1 d . . . . .
H08A H 0.407545 0.101149 0.842434 0.015 Uiso 1 1 calc R U . . .
H08B H 0.504857 0.068438 0.915659 0.015 Uiso 1 1 calc R U . . .
C9 C 0.4829(2) -0.12642(18) 0.57988(16) 0.0086(4) Uani 1 1 d . . . . .
C10 C 0.4860(2) -0.18596(18) 0.65614(15) 0.0113(5) Uani 1 1 d . . . . .
H10A H 0.399396 -0.213319 0.663171 0.014 Uiso 1 1 calc R U . . .
H10B H 0.516901 -0.243798 0.641419 0.014 Uiso 1 1 calc R U . . .
C11 C 0.9852(2) 0.63518(18) 0.92907(16) 0.0110(4) Uani 1 1 d . . . . .
C12 C 0.9259(2) 0.69663(19) 0.86829(17) 0.0139(5) Uani 1 1 d . . . . .
H12A H 0.866347 0.721067 0.895750 0.017 Uiso 1 1 calc R U . . .
H12B H 0.992921 0.756559 0.862989 0.017 Uiso 1 1 calc R U . . .
N1 N 1.0098(2) 0.02090(16) 0.81535(14) 0.0127(4) Uani 1 1 d . . . . .
H1A H 0.936531 -0.031208 0.793198 0.019 Uiso 1 1 calc R U . . .
H1B H 1.061425 0.003994 0.860693 0.019 Uiso 1 1 calc R U . . .
H1C H 1.048938 0.033559 0.770598 0.019 Uiso 1 1 calc R U . . .
N2 N 0.9731(2) 0.33187(16) 0.51237(15) 0.0158(4) Uani 1 1 d . . . . .
H2A H 0.899013 0.330891 0.474818 0.024 Uiso 1 1 calc R U . . .
H2B H 0.970388 0.267513 0.519203 0.024 Uiso 1 1 calc R U . . .
H2C H 1.038242 0.358994 0.488463 0.024 Uiso 1 1 calc R U . . .
N3 N 0.4446(2) 0.33098(17) 0.58038(14) 0.0149(4) Uani 1 1 d . . . . .
H3A H 0.371949 0.344893 0.557071 0.022 Uiso 1 1 calc R U . . .
H3B H 0.425360 0.268274 0.595121 0.022 Uiso 1 1 calc R U . . .
H3C H 0.490219 0.332788 0.538757 0.022 Uiso 1 1 calc R U . . .
N4 N 0.4924(2) 0.20822(17) 0.95648(15) 0.0159(4) Uani 1 1 d . . . . .
H4A H 0.490953 0.264054 0.931626 0.024 Uiso 1 1 calc R U . . .
H4B H 0.563693 0.223445 1.002299 0.024 Uiso 1 1 calc R U . . .
H4C H 0.423215 0.187907 0.978222 0.024 Uiso 1 1 calc R U . . .
N5 N 0.5703(2) -0.12023(16) 0.74226(13) 0.0124(4) Uani 1 1 d . . . . .
H5A H 0.652349 -0.106941 0.740299 0.019 Uiso 1 1 calc R U . . .
H5B H 0.558173 -0.152581 0.788988 0.019 Uiso 1 1 calc R U . . .
H5C H 0.551789 -0.061043 0.750075 0.019 Uiso 1 1 calc R U . . .
N6 N 0.8573(2) 0.63590(17) 0.77698(14) 0.0155(4) Uani 1 1 d . . . . .
H6A H 0.809791 0.669978 0.746157 0.023 Uiso 1 1 calc R U . . .
H6B H 0.806024 0.575221 0.782121 0.023 Uiso 1 1 calc R U . . .
H6C H 0.914048 0.625311 0.746768 0.023 Uiso 1 1 calc R U . . .
Cl1 Cl 1.17483(6) 0.17360(4) 0.37478(4) 0.01159(11) Uani 1 1 d . . . . .
Cl2 Cl 1.24229(6) 0.25789(5) 0.75256(5) 0.01850(13) Uani 1 1 d . . . . .
Cl3 Cl 0.70206(6) 0.45914(5) 0.47529(4) 0.01436(11) Uani 1 1 d . . . . .
Cl4 Cl 0.55235(6) 0.64493(5) 0.84192(4) 0.01581(12) Uani 1 1 d . . . . .
Cl5 Cl 0.23568(6) 0.04180(5) 1.02754(4) 0.01807(13) Uani 1 1 d . . . . .
Cl6 Cl 0.22211(6) -0.10408(5) 0.72986(4) 0.01502(12) Uani 1 1 d . . . . .
O1W O 0.74113(17) 0.04335(14) 0.53330(12) 0.0129(3) Uani 1 1 d D . . . .
H1WA H 0.813(2) 0.0825(19) 0.524(2) 0.015 Uiso 1 1 d D U . . .
H1WB H 0.764(3) -0.0065(19) 0.5584(19) 0.015 Uiso 1 1 d D U . . .
O2W O 0.41829(17) 0.11574(14) 0.61030(12) 0.0130(3) Uani 1 1 d D . . . .
H2WA H 0.371(3) 0.064(2) 0.5655(16) 0.016 Uiso 1 1 d D U . . .
H2WB H 0.384(3) 0.109(2) 0.6569(16) 0.016 Uiso 1 1 d D U . . .
O3W O 1.08931(17) 0.40800(14) 0.87993(12) 0.0145(4) Uani 1 1 d D . . . .
H3WA H 1.117(3) 0.4540(19) 0.8465(19) 0.017 Uiso 1 1 d D U . . .
H3WB H 1.131(3) 0.3626(19) 0.875(2) 0.017 Uiso 1 1 d D U . . .
O4W O 0.77197(18) 0.43762(14) 0.97456(13) 0.0167(4) Uani 1 1 d D . . . .
H4WA H 0.690(2) 0.435(2) 0.966(2) 0.020 Uiso 1 1 d D U . . .
H4WB H 0.818(2) 0.494(2) 1.0157(19) 0.020 Uiso 1 1 d D U . . .
O5W O 0.5145(2) 0.41416(16) 0.93910(15) 0.0252(4) Uani 1 1 d D . . . .
H5WA H 0.457(3) 0.416(3) 0.973(2) 0.030 Uiso 1 1 d D U . . .
H5WB H 0.494(3) 0.447(2) 0.8925(18) 0.030 Uiso 1 1 d D U . . .
O6W O 1.2690(2) 0.75972(16) 0.92039(13) 0.0218(4) Uani 1 1 d D . . . .
H6WA H 1.220(3) 0.764(2) 0.9581(19) 0.026 Uiso 1 1 d D U . . .
H6WB H 1.269(3) 0.807(2) 0.887(2) 0.026 Uiso 1 1 d D U . . .
O7W O 1.20551(18) 0.56666(15) 0.80481(14) 0.0203(4) Uani 1 1 d D . . . .
H7WA H 1.275(3) 0.556(2) 0.792(2) 0.024 Uiso 1 1 d D U . . .
H7WB H 1.230(3) 0.623(2) 0.8454(19) 0.024 Uiso 1 1 d D U . . .
O8W O 1.03773(19) 0.63061(15) 0.68364(13) 0.0190(4) Uani 1 1 d D . . . .
H8WA H 1.097(3) 0.605(2) 0.716(2) 0.023 Uiso 1 1 d D U . . .
H8WB H 1.078(3) 0.6977(17) 0.690(2) 0.023 Uiso 1 1 d D U . . .
O9W O 0.98509(19) 0.13430(15) 0.52992(13) 0.0187(4) Uani 1 1 d D . . . .
H9WA H 1.015(3) 0.113(2) 0.4880(16) 0.022 Uiso 1 1 d D U . . .
H9WB H 1.039(3) 0.137(2) 0.5848(15) 0.022 Uiso 1 1 d D U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O9 2.2851(17) . ?
Dy1 O5 2.2910(16) . ?
Dy1 O10 2.3359(17) 2_656 ?
Dy1 O3 2.3372(17) . ?
Dy1 O7 2.3689(17) . ?
Dy1 O1 2.4702(17) . ?
Dy1 O1W 2.4953(17) . ?
Dy1 O2W 2.5370(18) . ?
Dy1 O2 2.8823(19) . ?
Dy2 O2 2.2808(17) . ?
Dy2 O11 2.3194(17) . ?
Dy2 O4 2.3364(17) . ?
Dy2 O8 2.3584(17) . ?
Dy2 O12 2.3747(18) 2_767 ?
Dy2 O4W 2.3954(17) . ?
Dy2 O6 2.3975(17) . ?
Dy2 O3W 2.5005(18) . ?
O1 C1 1.255(3) . ?
O2 C1 1.257(3) . ?
O3 C3 1.257(3) . ?
O4 C3 1.256(3) . ?
O5 C5 1.253(3) . ?
O6 C5 1.260(3) . ?
O7 C7 1.265(3) . ?
O8 C7 1.248(3) . ?
O9 C9 1.254(3) . ?
O10 C9 1.252(3) . ?
O11 C11 1.253(3) . ?
O12 C11 1.259(3) . ?
O13 Cl1 1.4522(18) . ?
O14 Cl1 1.435(2) . ?
O15 Cl1 1.4224(19) . ?
O16 Cl1 1.4451(19) . ?
O17 Cl2 1.432(2) . ?
O18 Cl2 1.423(2) . ?
O19 Cl2 1.453(2) . ?
O20 Cl2 1.447(2) . ?
O21 Cl3 1.439(2) . ?
O22 Cl3 1.4406(19) . ?
O23 Cl3 1.434(2) . ?
O24 Cl3 1.443(2) . ?
O25 Cl4 1.430(2) . ?
O26 Cl4 1.442(2) . ?
O27 Cl4 1.443(2) . ?
O28 Cl4 1.452(2) . ?
O29 Cl5 1.434(2) . ?
O30 Cl5 1.447(2) . ?
O31 Cl5 1.435(2) . ?
O32 Cl5 1.436(2) . ?
O33 Cl6 1.432(2) . ?
O34 Cl6 1.444(2) . ?
O35 Cl6 1.431(2) . ?
O36 Cl6 1.444(2) . ?
C1 C2 1.506(3) . ?
C2 N1 1.481(3) . ?
C2 H02A 0.9900 . ?
C2 H02B 0.9900 . ?
C3 C4 1.517(3) . ?
C4 N2 1.489(3) . ?
C4 H04A 0.9900 . ?
C4 H04B 0.9900 . ?
C5 C6 1.509(3) . ?
C6 N3 1.485(3) . ?
C6 H06A 0.9900 . ?
C6 H06B 0.9900 . ?
C7 C8 1.516(3) . ?
C8 N4 1.479(3) . ?
C8 H08A 0.9900 . ?
C8 H08B 0.9900 . ?
C9 C10 1.518(3) . ?
C10 N5 1.490(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.517(3) . ?
C12 N6 1.487(3) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
N1 H1A 0.9100 . ?
N1 H1B 0.9100 . ?
N1 H1C 0.9100 . ?
N2 H2A 0.9100 . ?
N2 H2B 0.9100 . ?
N2 H2C 0.9100 . ?
N3 H3A 0.9100 . ?
N3 H3B 0.9100 . ?
N3 H3C 0.9100 . ?
N4 H4A 0.9100 . ?
N4 H4B 0.9100 . ?
N4 H4C 0.9100 . ?
N5 H5A 0.9100 . ?
N5 H5B 0.9100 . ?
N5 H5C 0.9100 . ?
N6 H6A 0.9100 . ?
N6 H6B 0.9100 . ?
N6 H6C 0.9100 . ?
O1W H1WA 0.90(2) . ?
O1W H1WB 0.91(2) . ?
O2W H2WA 0.90(2) . ?
O2W H2WB 0.89(2) . ?
O3W H3WA 0.90(2) . ?
O3W H3WB 0.90(2) . ?
O4W H4WA 0.90(2) . ?
O4W H4WB 0.90(2) . ?
O5W H5WA 0.93(2) . ?
O5W H5WB 0.92(2) . ?
O6W H6WA 0.89(2) . ?
O6W H6WB 0.88(2) . ?
O7W H7WA 0.90(2) . ?
O7W H7WB 0.89(2) . ?
O8W H8WA 0.93(2) . ?
O8W H8WB 0.91(2) . ?
O9W H9WA 0.86(2) . ?
O9W H9WB 0.92(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
O9 Dy1 O5 140.20(6) . . ?
O9 Dy1 O10 96.26(6) . 2_656 ?
O5 Dy1 O10 82.80(6) . 2_656 ?
O9 Dy1 O3 142.02(6) . . ?
O5 Dy1 O3 76.70(6) . . ?
O10 Dy1 O3 76.60(6) 2_656 . ?
O9 Dy1 O7 78.00(6) . . ?
O5 Dy1 O7 78.15(6) . . ?
O10 Dy1 O7 140.71(6) 2_656 . ?
O3 Dy1 O7 130.24(6) . . ?
O9 Dy1 O1 78.85(6) . . ?
O5 Dy1 O1 123.65(6) . . ?
O10 Dy1 O1 143.65(6) 2_656 . ?
O3 Dy1 O1 85.40(6) . . ?
O7 Dy1 O1 74.08(6) . . ?
O9 Dy1 O1W 69.31(6) . . ?
O5 Dy1 O1W 146.11(6) . . ?
O10 Dy1 O1W 76.18(6) 2_656 . ?
O3 Dy1 O1W 72.77(6) . . ?
O7 Dy1 O1W 133.78(6) . . ?
O1 Dy1 O1W 68.36(6) . . ?
O9 Dy1 O2W 70.73(6) . . ?
O5 Dy1 O2W 71.57(6) . . ?
O10 Dy1 O2W 70.52(6) 2_656 . ?
O3 Dy1 O2W 136.40(6) . . ?
O7 Dy1 O2W 70.94(6) . . ?
O1 Dy1 O2W 137.34(6) . . ?
O1W Dy1 O2W 123.67(6) . . ?
O9 Dy1 O2 121.75(6) . . ?
O5 Dy1 O2 76.36(6) . . ?
O10 Dy1 O2 139.62(6) 2_656 . ?
O3 Dy1 O2 65.21(6) . . ?
O7 Dy1 O2 67.48(6) . . ?
O1 Dy1 O2 47.88(5) . . ?
O1W Dy1 O2 103.21(5) . . ?
O2W Dy1 O2 131.46(5) . . ?
O2 Dy2 O11 146.33(6) . . ?
O2 Dy2 O4 74.69(6) . . ?
O11 Dy2 O4 82.14(6) . . ?
O2 Dy2 O8 73.49(6) . . ?
O11 Dy2 O8 140.18(6) . . ?
O4 Dy2 O8 123.15(6) . . ?
O2 Dy2 O12 81.90(6) . 2_767 ?
O11 Dy2 O12 100.03(6) . 2_767 ?
O4 Dy2 O12 137.45(6) . 2_767 ?
O8 Dy2 O12 81.61(6) . 2_767 ?
O2 Dy2 O4W 138.89(7) . . ?
O11 Dy2 O4W 72.42(6) . . ?
O4 Dy2 O4W 142.19(7) . . ?
O8 Dy2 O4W 69.50(6) . . ?
O12 Dy2 O4W 75.68(6) 2_767 . ?
O2 Dy2 O6 116.76(6) . . ?
O11 Dy2 O6 78.79(6) . . ?
O4 Dy2 O6 74.35(6) . . ?
O8 Dy2 O6 79.77(6) . . ?
O12 Dy2 O6 148.09(6) 2_767 . ?
O4W Dy2 O6 73.61(6) . . ?
O2 Dy2 O3W 80.68(6) . . ?
O11 Dy2 O3W 68.47(6) . . ?
O4 Dy2 O3W 70.03(6) . . ?
O8 Dy2 O3W 144.94(6) . . ?
O12 Dy2 O3W 71.48(6) 2_767 . ?
O4W Dy2 O3W 122.35(6) . . ?
O6 Dy2 O3W 134.00(6) . . ?
C1 O1 Dy1 104.58(15) . . ?
C1 O2 Dy2 163.28(17) . . ?
C1 O2 Dy1 84.86(14) . . ?
Dy2 O2 Dy1 109.76(7) . . ?
C3 O3 Dy1 138.04(15) . . ?
C3 O4 Dy2 139.18(16) . . ?
C5 O5 Dy1 175.68(16) . . ?
C5 O6 Dy2 112.73(15) . . ?
C7 O7 Dy1 132.10(15) . . ?
C7 O8 Dy2 145.06(16) . . ?
C9 O9 Dy1 176.58(16) . . ?
C9 O10 Dy1 135.35(16) . 2_656 ?
C11 O11 Dy2 161.82(17) . . ?
C11 O12 Dy2 132.42(16) . 2_767 ?
O1 C1 O2 122.7(2) . . ?
O1 C1 C2 120.3(2) . . ?
O2 C1 C2 117.1(2) . . ?
N1 C2 C1 111.13(19) . . ?
N1 C2 H02A 109.4 . . ?
C1 C2 H02A 109.4 . . ?
N1 C2 H02B 109.4 . . ?
C1 C2 H02B 109.4 . . ?
H02A C2 H02B 108.0 . . ?
O4 C3 O3 127.8(2) . . ?
O4 C3 C4 114.8(2) . . ?
O3 C3 C4 117.3(2) . . ?
N2 C4 C3 111.4(2) . . ?
N2 C4 H04A 109.4 . . ?
C3 C4 H04A 109.4 . . ?
N2 C4 H04B 109.4 . . ?
C3 C4 H04B 109.4 . . ?
H04A C4 H04B 108.0 . . ?
O5 C5 O6 123.9(2) . . ?
O5 C5 C6 119.0(2) . . ?
O6 C5 C6 117.0(2) . . ?
N3 C6 C5 111.1(2) . . ?
N3 C6 H06A 109.4 . . ?
C5 C6 H06A 109.4 . . ?
N3 C6 H06B 109.4 . . ?
C5 C6 H06B 109.4 . . ?
H06A C6 H06B 108.0 . . ?
O8 C7 O7 127.1(2) . . ?
O8 C7 C8 117.0(2) . . ?
O7 C7 C8 115.9(2) . . ?
N4 C8 C7 110.2(2) . . ?
N4 C8 H08A 109.6 . . ?
C7 C8 H08A 109.6 . . ?
N4 C8 H08B 109.6 . . ?
C7 C8 H08B 109.6 . . ?
H08A C8 H08B 108.1 . . ?
O10 C9 O9 126.1(2) . . ?
O10 C9 C10 116.3(2) . . ?
O9 C9 C10 117.6(2) . . ?
N5 C10 C9 110.69(19) . . ?
N5 C10 H10A 109.5 . . ?
C9 C10 H10A 109.5 . . ?
N5 C10 H10B 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 108.1 . . ?
O11 C11 O12 125.8(2) . . ?
O11 C11 C12 118.5(2) . . ?
O12 C11 C12 115.7(2) . . ?
N6 C12 C11 111.7(2) . . ?
N6 C12 H12A 109.3 . . ?
C11 C12 H12A 109.3 . . ?
N6 C12 H12B 109.3 . . ?
C11 C12 H12B 109.3 . . ?
H12A C12 H12B 107.9 . . ?
C2 N1 H1A 109.5 . . ?
C2 N1 H1B 109.5 . . ?
H1A N1 H1B 109.5 . . ?
C2 N1 H1C 109.5 . . ?
H1A N1 H1C 109.5 . . ?
H1B N1 H1C 109.5 . . ?
C4 N2 H2A 109.5 . . ?
C4 N2 H2B 109.5 . . ?
H2A N2 H2B 109.5 . . ?
C4 N2 H2C 109.5 . . ?
H2A N2 H2C 109.5 . . ?
H2B N2 H2C 109.5 . . ?
C6 N3 H3A 109.5 . . ?
C6 N3 H3B 109.5 . . ?
H3A N3 H3B 109.5 . . ?
C6 N3 H3C 109.5 . . ?
H3A N3 H3C 109.5 . . ?
H3B N3 H3C 109.5 . . ?
C8 N4 H4A 109.5 . . ?
C8 N4 H4B 109.5 . . ?
H4A N4 H4B 109.5 . . ?
C8 N4 H4C 109.5 . . ?
H4A N4 H4C 109.5 . . ?
H4B N4 H4C 109.5 . . ?
C10 N5 H5A 109.5 . . ?
C10 N5 H5B 109.5 . . ?
H5A N5 H5B 109.5 . . ?
C10 N5 H5C 109.5 . . ?
H5A N5 H5C 109.5 . . ?
H5B N5 H5C 109.5 . . ?
C12 N6 H6A 109.5 . . ?
C12 N6 H6B 109.5 . . ?
H6A N6 H6B 109.5 . . ?
C12 N6 H6C 109.5 . . ?
H6A N6 H6C 109.5 . . ?
H6B N6 H6C 109.5 . . ?
O15 Cl1 O14 110.51(14) . . ?
O15 Cl1 O16 110.36(12) . . ?
O14 Cl1 O16 108.40(13) . . ?
O15 Cl1 O13 109.46(12) . . ?
O14 Cl1 O13 108.99(12) . . ?
O16 Cl1 O13 109.10(11) . . ?
O18 Cl2 O17 110.18(14) . . ?
O18 Cl2 O20 110.52(16) . . ?
O17 Cl2 O20 110.54(13) . . ?
O18 Cl2 O19 109.35(17) . . ?
O17 Cl2 O19 108.22(13) . . ?
O20 Cl2 O19 107.95(13) . . ?
O23 Cl3 O21 110.25(13) . . ?
O23 Cl3 O22 109.50(14) . . ?
O21 Cl3 O22 108.65(13) . . ?
O23 Cl3 O24 109.29(13) . . ?
O21 Cl3 O24 110.00(13) . . ?
O22 Cl3 O24 109.13(12) . . ?
O25 Cl4 O26 110.80(14) . . ?
O25 Cl4 O27 109.30(12) . . ?
O26 Cl4 O27 109.40(13) . . ?
O25 Cl4 O28 109.83(13) . . ?
O26 Cl4 O28 108.91(13) . . ?
O27 Cl4 O28 108.57(12) . . ?
O29 Cl5 O31 109.27(13) . . ?
O29 Cl5 O32 111.67(16) . . ?
O31 Cl5 O32 109.79(13) . . ?
O29 Cl5 O30 108.61(13) . . ?
O31 Cl5 O30 109.54(14) . . ?
O32 Cl5 O30 107.92(14) . . ?
O35 Cl6 O33 110.35(14) . . ?
O35 Cl6 O36 109.12(13) . . ?
O33 Cl6 O36 109.07(15) . . ?
O35 Cl6 O34 110.28(13) . . ?
O33 Cl6 O34 109.50(13) . . ?
O36 Cl6 O34 108.50(13) . . ?
Dy1 O1W H1WA 113.3(19) . . ?
Dy1 O1W H1WB 109.6(19) . . ?
H1WA O1W H1WB 105(2) . . ?
Dy1 O2W H2WA 111.3(19) . . ?
Dy1 O2W H2WB 118(2) . . ?
H2WA O2W H2WB 108(2) . . ?
Dy2 O3W H3WA 111(2) . . ?
Dy2 O3W H3WB 126(2) . . ?
H3WA O3W H3WB 106(2) . . ?
Dy2 O4W H4WA 124.3(19) . . ?
Dy2 O4W H4WB 121.6(19) . . ?
H4WA O4W H4WB 107(2) . . ?
H5WA O5W H5WB 105(2) . . ?
H6WA O6W H6WB 110(3) . . ?
H7WA O7W H7WB 109(3) . . ?
H8WA O8W H8WB 105(2) . . ?
H9WA O9W H9WB 108(2) . . ?

_refine_diff_density_max         1.353
_refine_diff_density_min         -1.265
_refine_diff_density_rms         0.120


_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_compound_2
_database_code_depnum_ccdc_archive 'CCDC 1991873'
loop_
_audit_author_name
_audit_author_address
'Jose Martinez-Lillo'
;University of Valencia
Spain
;
_audit_update_record             
;
2020-05-15 deposited with the CCDC.	2020-06-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         2(C9H25N3O8Dy),6(ClO4),H2O
_chemical_formula_sum            'C18 H52 N6 O41 Cl6 Dy2'
_chemical_formula_weight         1546.35

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.1227(8)
_cell_length_b                   12.7414(12)
_cell_length_c                   21.5663(17)
_cell_angle_alpha                76.278(3)
_cell_angle_beta                 81.270(3)
_cell_angle_gamma                82.225(3)
_cell_volume                     2394.1(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    118190
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      29.59

_exptl_crystal_description       parallelepiped
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.145
_exptl_crystal_F_000             1528
_exptl_transmission_factor_min   0.59
_exptl_transmission_factor_max   0.84
_exptl_crystal_size_max          0.233
_exptl_crystal_size_mid          0.135
_exptl_crystal_size_min          0.054
_exptl_absorpt_coefficient_mu    3.555
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.642
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   
'SADABS (version 2.03) was used for absorption correction. R(int) was 0.1414 before and 0.0559 after correction. The ratio of minimum to maximum apparent transmission was 0.8611'
_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'D8 VENTURE'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean 'PHOTON II'
_diffrn_reflns_number            118190
_diffrn_reflns_av_unetI/netI     0.0240
_diffrn_reflns_av_R_equivalents  0.0467
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.267
_diffrn_reflns_theta_max         29.592
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             13415
_reflns_number_gt                11474
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX'
_computing_cell_refinement       'Bruker APEX'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  DIAMOND
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0229P)²+5.0958P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13415
_refine_ls_number_parameters     694
_refine_ls_number_restraints     15
_refine_ls_R_factor_all          0.0320
_refine_ls_R_factor_gt           0.0230
_refine_ls_wR_factor_ref         0.0554
_refine_ls_wR_factor_gt          0.0507
_refine_ls_goodness_of_fit_ref   0.982
_refine_ls_restrained_S_all      0.983
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.77826(2) 0.50666(2) 1.00830(2) 0.00799(3) Uani 1 1 d . . . . .
Dy2 Dy 1.27936(2) 1.01290(2) 0.50381(2) 0.00875(3) Uani 1 1 d . . . . .
Cl1 Cl -0.43170(7) 0.93377(5) 0.91072(3) 0.01552(11) Uani 1 1 d . . . . .
Cl2 Cl 0.03232(7) 0.15199(5) 0.83698(3) 0.01656(12) Uani 1 1 d . . . . .
Cl3 Cl 0.08897(7) 0.80617(5) 0.76222(3) 0.01802(12) Uani 1 1 d . . . . .
Cl4 Cl 0.62145(7) 0.58033(5) 0.75198(3) 0.01474(11) Uani 1 1 d . . . . .
Cl5 Cl 0.53295(8) 0.69166(6) 0.32848(3) 0.02306(13) Uani 1 1 d . . . . .
Cl6 Cl 1.08692(7) 0.58988(5) 0.57202(3) 0.01434(11) Uani 1 1 d . . . . .
C1 C 0.5719(3) 0.37901(19) 0.93406(11) 0.0104(4) Uani 1 1 d . . . . .
C2 C 0.6104(3) 0.3016(2) 0.88906(12) 0.0145(5) Uani 1 1 d . . . . .
H2A H 0.665821 0.234586 0.911419 0.017 Uiso 1 1 calc R U . . .
H2B H 0.677573 0.335458 0.851224 0.017 Uiso 1 1 calc R U . . .
C3 C 0.4769(3) 0.2707(2) 0.86566(12) 0.0160(5) Uani 1 1 d . . . . .
H3A H 0.416985 0.337526 0.845689 0.019 Uiso 1 1 calc R U . . .
H3B H 0.512156 0.228193 0.832359 0.019 Uiso 1 1 calc R U . . .
C4 C 1.0701(3) 0.49559(18) 0.88208(11) 0.0102(4) Uani 1 1 d . . . . .
C5 C 0.9987(3) 0.4865(2) 0.82550(11) 0.0146(5) Uani 1 1 d . . . . .
H5A H 0.946717 0.558226 0.807553 0.018 Uiso 1 1 calc R U . . .
H5B H 0.922417 0.434679 0.840807 0.018 Uiso 1 1 calc R U . . .
C6 C 1.1060(3) 0.4495(2) 0.77215(12) 0.0156(5) Uani 1 1 d . . . . .
H6A H 1.156339 0.376796 0.789258 0.019 Uiso 1 1 calc R U . . .
H6B H 1.049568 0.443346 0.737636 0.019 Uiso 1 1 calc R U . . .
C7 C 1.0268(3) 0.27690(19) 1.01641(11) 0.0101(4) Uani 1 1 d . . . . .
C8 C 1.0321(3) 0.15364(19) 1.02950(12) 0.0133(5) Uani 1 1 d . . . . .
H8A H 1.092477 0.128057 0.992718 0.016 Uiso 1 1 calc R U . . .
H8B H 1.082848 0.121562 1.068156 0.016 Uiso 1 1 calc R U . . .
C9 C 0.8802(3) 0.1131(2) 1.03985(12) 0.0144(5) Uani 1 1 d . . . . .
H9A H 0.826836 0.146822 1.002158 0.017 Uiso 1 1 calc R U . . .
H9B H 0.891740 0.033380 1.044137 0.017 Uiso 1 1 calc R U . . .
C10 C 1.0676(3) 0.87452(19) 0.43912(11) 0.0107(4) Uani 1 1 d . . . . .
C11 C 1.1012(3) 0.7881(2) 0.39966(12) 0.0171(5) Uani 1 1 d . . . . .
H11A H 1.174976 0.813405 0.362175 0.020 Uiso 1 1 calc R U . . .
H11B H 1.148240 0.721386 0.426210 0.020 Uiso 1 1 calc R U . . .
C12 C 0.9679(3) 0.7591(2) 0.37533(13) 0.0193(5) Uani 1 1 d . . . . .
H12A H 1.000351 0.698773 0.353051 0.023 Uiso 1 1 calc R U . . .
H12B H 0.893451 0.733488 0.412458 0.023 Uiso 1 1 calc R U . . .
C13 C 1.5336(3) 0.9957(2) 0.37054(11) 0.0121(4) Uani 1 1 d . . . . .
C14 C 1.5401(3) 1.0035(2) 0.29895(12) 0.0163(5) Uani 1 1 d . . . . .
H14A H 1.492751 0.942427 0.292033 0.020 Uiso 1 1 calc R U . . .
H14B H 1.645629 0.997211 0.279577 0.020 Uiso 1 1 calc R U . . .
C15 C 1.4611(3) 1.1105(2) 0.26578(12) 0.0176(5) Uani 1 1 d . . . . .
H15A H 1.500974 1.171492 0.276633 0.021 Uiso 1 1 calc R U . . .
H15B H 1.481219 1.118205 0.218579 0.021 Uiso 1 1 calc R U . . .
C16 C 1.5609(3) 0.79667(19) 0.52356(11) 0.0105(4) Uani 1 1 d . . . . .
C17 C 1.4788(3) 0.69716(19) 0.54214(12) 0.0128(4) Uani 1 1 d . . . . .
H17A H 1.395645 0.708558 0.515837 0.015 Uiso 1 1 calc R U . . .
H17B H 1.434882 0.688284 0.587734 0.015 Uiso 1 1 calc R U . . .
C18 C 1.5741(3) 0.5931(2) 0.53384(12) 0.0155(5) Uani 1 1 d . . . . .
H18A H 1.510489 0.532665 0.544609 0.019 Uiso 1 1 calc R U . . .
H18B H 1.617947 0.601044 0.488281 0.019 Uiso 1 1 calc R U . . .
O1W O 0.61810(19) 0.37309(15) 1.08406(8) 0.0134(3) Uani 1 1 d D . . . .
H1WA H 0.601(3) 0.389(3) 1.1228(11) 0.016 Uiso 1 1 d D U . . .
H1WB H 0.531(3) 0.367(3) 1.0726(13) 0.016 Uiso 1 1 d D U . . .
O2W O 0.6961(2) 0.64343(15) 0.91125(8) 0.0142(3) Uani 1 1 d D . . . .
H2WA H 0.708(3) 0.635(2) 0.8692(11) 0.017 Uiso 1 1 d D U . . .
H2WB H 0.699(3) 0.7151(18) 0.9079(14) 0.017 Uiso 1 1 d D U . . .
O3W O 1.1965(2) 0.86244(15) 0.59359(9) 0.0168(4) Uani 1 1 d D . . . .
H3WA H 1.190(4) 0.7943(19) 0.5917(14) 0.020 Uiso 1 1 d D U . . .
H3WB H 1.184(4) 0.868(2) 0.6359(11) 0.020 Uiso 1 1 d D U . . .
O4W O 1.12235(19) 1.11961(15) 0.42059(9) 0.0133(3) Uani 1 1 d D . . . .
H4WA H 1.038(3) 1.092(2) 0.4222(15) 0.016 Uiso 1 1 d D U . . .
H4WB H 1.105(3) 1.1887(18) 0.4235(15) 0.016 Uiso 1 1 d D U . . .
O5W O 0.1905(3) 0.94107(19) 0.24912(10) 0.0279(5) Uani 1 1 d D . . . .
H5WA H 0.182(4) 0.966(3) 0.2059(12) 0.034 Uiso 1 1 d D U . . .
H5WB H 0.253(4) 0.876(2) 0.2497(16) 0.034 Uiso 1 1 d D U . . .
O1 O 0.67656(19) 0.42618(15) 0.94314(8) 0.0150(3) Uani 1 1 d . . . . .
O2 O 0.43984(19) 0.39090(14) 0.96071(8) 0.0127(3) Uani 1 1 d . . . . .
O3 O 0.98860(19) 0.51010(14) 0.93293(8) 0.0123(3) Uani 1 1 d . . . . .
O4 O 1.21018(19) 0.48941(15) 0.87929(8) 0.0136(3) Uani 1 1 d . . . . .
O5 O 0.90094(19) 0.32850(14) 1.02542(9) 0.0145(3) Uani 1 1 d . . . . .
O6 O 1.14933(18) 0.31739(14) 0.99848(8) 0.0115(3) Uani 1 1 d . . . . .
O7 O 1.1698(2) 0.88850(15) 0.46812(9) 0.0157(4) Uani 1 1 d . . . . .
O8 O 0.94155(19) 0.92929(14) 0.43915(8) 0.0137(3) Uani 1 1 d . . . . .
O9 O 1.40637(19) 1.01923(15) 0.39934(8) 0.0157(4) Uani 1 1 d . . . . .
O10 O 1.65243(19) 0.96892(14) 0.39638(8) 0.0129(3) Uani 1 1 d . . . . .
O11 O 1.48641(18) 0.88922(13) 0.51512(8) 0.0117(3) Uani 1 1 d . . . . .
O12 O 1.70081(19) 0.78964(14) 0.51765(9) 0.0149(3) Uani 1 1 d . . . . .
O13 O -0.3783(2) 1.00295(18) 0.94398(11) 0.0266(5) Uani 1 1 d . . . . .
O14 O -0.5022(2) 0.84703(16) 0.95600(10) 0.0231(4) Uani 1 1 d . . . . .
O15 O -0.5417(2) 0.99631(16) 0.87035(10) 0.0229(4) Uani 1 1 d . . . . .
O16 O -0.3096(2) 0.88770(17) 0.87127(9) 0.0222(4) Uani 1 1 d . . . . .
O17 O -0.0861(2) 0.09457(19) 0.87582(11) 0.0313(5) Uani 1 1 d . . . . .
O18 O -0.0240(2) 0.23214(16) 0.78515(9) 0.0221(4) Uani 1 1 d . . . . .
O19 O 0.1414(3) 0.07495(19) 0.81110(11) 0.0346(5) Uani 1 1 d . . . . .
O20 O 0.1010(3) 0.2039(2) 0.87579(11) 0.0360(6) Uani 1 1 d . . . . .
O21 O -0.0134(3) 0.8355(2) 0.81391(11) 0.0341(5) Uani 1 1 d . . . . .
O22 O 0.0218(3) 0.74025(17) 0.73087(11) 0.0280(5) Uani 1 1 d . . . . .
O23 O 0.1261(4) 0.9035(2) 0.71609(12) 0.0473(7) Uani 1 1 d . . . . .
O24 O 0.2214(3) 0.7478(2) 0.78599(14) 0.0460(7) Uani 1 1 d . . . . .
O25 O 0.5033(2) 0.53741(17) 0.80011(9) 0.0209(4) Uani 1 1 d . . . . .
O26 O 0.5585(3) 0.64116(18) 0.69502(9) 0.0269(5) Uani 1 1 d . . . . .
O27 O 0.7270(2) 0.49405(18) 0.73659(11) 0.0289(5) Uani 1 1 d . . . . .
O28 O 0.6945(2) 0.65277(15) 0.77747(9) 0.0194(4) Uani 1 1 d . . . . .
O29 O 0.5074(4) 0.7184(3) 0.38942(13) 0.0676(11) Uani 1 1 d . . . . .
O30 O 0.4152(3) 0.7464(2) 0.29148(11) 0.0345(5) Uani 1 1 d . . . . .
O31 O 0.6721(3) 0.7262(2) 0.29355(15) 0.0462(7) Uani 1 1 d . . . . .
O32 O 0.5376(3) 0.57639(18) 0.33471(12) 0.0370(6) Uani 1 1 d . . . . .
O33 O 0.9742(2) 0.67343(15) 0.54569(9) 0.0191(4) Uani 1 1 d . . . . .
O34 O 1.1948(2) 0.56548(19) 0.52024(10) 0.0291(5) Uani 1 1 d . . . . .
O35 O 1.1603(2) 0.63134(16) 0.61469(9) 0.0202(4) Uani 1 1 d . . . . .
O36 O 1.0168(3) 0.49595(17) 0.60665(12) 0.0346(5) Uani 1 1 d . . . . .
N1 N 0.3808(2) 0.20531(18) 0.91933(10) 0.0160(4) Uani 1 1 d . . . . .
H01A H 0.308073 0.181737 0.903075 0.024 Uiso 1 1 calc R U . . .
H01B H 0.338419 0.247231 0.947403 0.024 Uiso 1 1 calc R U . . .
H01C H 0.437535 0.147122 0.940180 0.024 Uiso 1 1 calc R U . . .
N2 N 1.2209(2) 0.52733(18) 0.74459(10) 0.0156(4) Uani 1 1 d . . . . .
H02A H 1.288762 0.499871 0.715458 0.023 Uiso 1 1 calc R U . . .
H02B H 1.267970 0.537189 0.776771 0.023 Uiso 1 1 calc R U . . .
H02C H 1.175735 0.592167 0.724821 0.023 Uiso 1 1 calc R U . . .
N3 N 0.7912(2) 0.14043(18) 1.09915(10) 0.0166(4) Uani 1 1 d . . . . .
H03A H 0.765009 0.213376 1.092157 0.025 Uiso 1 1 calc R U . . .
H03B H 0.847008 0.119429 1.132423 0.025 Uiso 1 1 calc R U . . .
H03C H 0.707586 0.105142 1.108972 0.025 Uiso 1 1 calc R U . . .
N4 N 0.8966(3) 0.85290(18) 0.33026(10) 0.0165(4) Uani 1 1 d . . . . .
H04A H 0.968416 0.888260 0.302264 0.025 Uiso 1 1 calc R U . . .
H04B H 0.841288 0.899343 0.353056 0.025 Uiso 1 1 calc R U . . .
H04C H 0.836437 0.828270 0.307986 0.025 Uiso 1 1 calc R U . . .
N5 N 1.2958(2) 1.11590(18) 0.28598(10) 0.0156(4) Uani 1 1 d . . . . .
H05A H 1.277483 1.102790 0.329653 0.023 Uiso 1 1 calc R U . . .
H05B H 1.257273 1.065071 0.271661 0.023 Uiso 1 1 calc R U . . .
H05C H 1.252613 1.183119 0.268871 0.023 Uiso 1 1 calc R U . . .
N6 N 1.6968(2) 0.56611(17) 0.57571(10) 0.0148(4) Uani 1 1 d . . . . .
H06A H 1.754205 0.505195 0.568088 0.022 Uiso 1 1 calc R U . . .
H06B H 1.656771 0.554321 0.617767 0.022 Uiso 1 1 calc R U . . .
H06C H 1.753973 0.622368 0.566737 0.022 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 2.2856(18) . ?
Dy1 O3 2.3170(17) . ?
Dy1 O2 2.3274(17) 2_667 ?
Dy1 O5 2.3627(17) . ?
Dy1 O6 2.3874(17) 2_767 ?
Dy1 O4 2.4548(17) 2_767 ?
Dy1 O1W 2.5158(18) . ?
Dy1 O2W 2.5243(17) . ?
Dy1 O3 2.5966(17) 2_767 ?
Dy1 C4 2.907(2) 2_767 ?
Dy1 Dy1 3.9911(4) 2_767 ?
Dy2 O11 2.2940(17) . ?
Dy2 O7 2.3118(18) . ?
Dy2 O8 2.3222(17) 2_776 ?
Dy2 O9 2.3605(17) . ?
Dy2 O10 2.3992(17) 2_876 ?
Dy2 O12 2.4744(18) 2_876 ?
Dy2 O3W 2.4866(18) . ?
Dy2 O4W 2.4934(17) . ?
Dy2 O11 2.5501(17) 2_876 ?
Dy2 C16 2.894(2) 2_876 ?
Dy2 Dy2 3.9759(4) 2_876 ?
Cl1 O13 1.432(2) . ?
Cl1 O14 1.442(2) . ?
Cl1 O16 1.4426(19) . ?
Cl1 O15 1.456(2) . ?
Cl2 O18 1.4306(19) . ?
Cl2 O17 1.433(2) . ?
Cl2 O20 1.437(2) . ?
Cl2 O19 1.446(2) . ?
Cl3 O24 1.428(2) . ?
Cl3 O21 1.429(2) . ?
Cl3 O23 1.438(2) . ?
Cl3 O22 1.439(2) . ?
Cl4 O27 1.427(2) . ?
Cl4 O26 1.443(2) . ?
Cl4 O25 1.4455(19) . ?
Cl4 O28 1.455(2) . ?
Cl5 O29 1.413(3) . ?
Cl5 O32 1.438(2) . ?
Cl5 O30 1.439(2) . ?
Cl5 O31 1.441(3) . ?
Cl6 O36 1.427(2) . ?
Cl6 O34 1.435(2) . ?
Cl6 O35 1.445(2) . ?
Cl6 O33 1.4515(18) . ?
C1 O1 1.257(3) . ?
C1 O2 1.259(3) . ?
C1 C2 1.515(3) . ?
C2 C3 1.518(3) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 N1 1.495(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 O4 1.263(3) . ?
C4 O3 1.265(3) . ?
C4 C5 1.502(3) . ?
C5 C6 1.515(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 N2 1.499(3) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 O5 1.255(3) . ?
C7 O6 1.263(3) . ?
C7 C8 1.524(3) . ?
C8 C9 1.511(3) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 N3 1.495(3) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 O7 1.252(3) . ?
C10 O8 1.262(3) . ?
C10 C11 1.518(3) . ?
C11 C12 1.516(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 N4 1.492(3) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 O10 1.263(3) . ?
C13 O9 1.264(3) . ?
C13 C14 1.516(3) . ?
C14 C15 1.522(4) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 N5 1.501(3) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 O12 1.256(3) . ?
C16 O11 1.267(3) . ?
C16 C17 1.502(3) . ?
C17 C18 1.516(3) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 N6 1.497(3) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
O1W H1WA 0.89(2) . ?
O1W H1WB 0.89(2) . ?
O2W H2WA 0.93(2) . ?
O2W H2WB 0.90(2) . ?
O3W H3WA 0.89(2) . ?
O3W H3WB 0.92(2) . ?
O4W H4WA 0.88(2) . ?
O4W H4WB 0.89(2) . ?
O5W H5WA 0.92(2) . ?
O5W H5WB 0.94(2) . ?
N1 H01A 0.9100 . ?
N1 H01B 0.9100 . ?
N1 H01C 0.9100 . ?
N2 H02A 0.9100 . ?
N2 H02B 0.9100 . ?
N2 H02C 0.9100 . ?
N3 H03A 0.9100 . ?
N3 H03B 0.9100 . ?
N3 H03C 0.9100 . ?
N4 H04A 0.9100 . ?
N4 H04B 0.9100 . ?
N4 H04C 0.9100 . ?
N5 H05A 0.9100 . ?
N5 H05B 0.9100 . ?
N5 H05C 0.9100 . ?
N6 H06A 0.9100 . ?
N6 H06B 0.9100 . ?
N6 H06C 0.9100 . ?

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 O3 85.80(6) . . ?
O1 Dy1 O2 96.33(6) . 2_667 ?
O3 Dy1 O2 143.42(6) . 2_667 ?
O1 Dy1 O5 76.33(6) . . ?
O3 Dy1 O5 73.27(6) . . ?
O2 Dy1 O5 142.77(6) 2_667 . ?
O1 Dy1 O6 135.79(6) . 2_767 ?
O3 Dy1 O6 78.34(6) . 2_767 ?
O2 Dy1 O6 74.88(6) 2_667 2_767 ?
O5 Dy1 O6 134.88(6) . 2_767 ?
O1 Dy1 O4 144.13(6) . 2_767 ?
O3 Dy1 O4 122.26(6) . 2_767 ?
O2 Dy1 O4 74.60(6) 2_667 2_767 ?
O5 Dy1 O4 90.09(6) . 2_767 ?
O6 Dy1 O4 76.26(6) 2_767 2_767 ?
O1 Dy1 O1W 75.16(6) . . ?
O3 Dy1 O1W 140.15(6) . . ?
O2 Dy1 O1W 74.43(6) 2_667 . ?
O5 Dy1 O1W 68.39(6) . . ?
O6 Dy1 O1W 138.38(6) 2_767 . ?
O4 Dy1 O1W 68.97(6) 2_767 . ?
O1 Dy1 O2W 68.46(6) . . ?
O3 Dy1 O2W 76.45(6) . . ?
O2 Dy1 O2W 70.61(6) 2_667 . ?
O5 Dy1 O2W 134.65(6) . . ?
O6 Dy1 O2W 67.78(6) 2_767 . ?
O4 Dy1 O2W 134.95(6) 2_767 . ?
O1W Dy1 O2W 125.23(6) . . ?
O1 Dy1 O3 141.94(6) . 2_767 ?
O3 Dy1 O3 71.50(6) . 2_767 ?
O2 Dy1 O3 120.19(6) 2_667 2_767 ?
O5 Dy1 O3 68.18(6) . 2_767 ?
O6 Dy1 O3 69.92(5) 2_767 2_767 ?
O4 Dy1 O3 51.22(5) 2_767 2_767 ?
O1W Dy1 O3 103.00(6) . 2_767 ?
O2W Dy1 O3 130.83(6) . 2_767 ?
O1 Dy1 C4 153.71(6) . 2_767 ?
O3 Dy1 C4 96.88(6) . 2_767 ?
O2 Dy1 C4 96.83(6) 2_667 2_767 ?
O5 Dy1 C4 79.43(6) . 2_767 ?
O6 Dy1 C4 69.90(6) 2_767 2_767 ?
O4 Dy1 C4 25.49(6) 2_767 2_767 ?
O1W Dy1 C4 86.62(6) . 2_767 ?
O2W Dy1 C4 137.64(6) . 2_767 ?
O3 Dy1 C4 25.80(6) 2_767 2_767 ?
O1 Dy1 Dy1 118.02(4) . 2_767 ?
O3 Dy1 Dy1 38.10(4) . 2_767 ?
O2 Dy1 Dy1 142.50(4) 2_667 2_767 ?
O5 Dy1 Dy1 65.86(4) . 2_767 ?
O6 Dy1 Dy1 70.08(4) 2_767 2_767 ?
O4 Dy1 Dy1 84.40(4) 2_767 2_767 ?
O1W Dy1 Dy1 126.30(4) . 2_767 ?
O2W Dy1 Dy1 106.82(4) . 2_767 ?
O3 Dy1 Dy1 33.41(4) 2_767 2_767 ?
C4 Dy1 Dy1 58.92(5) 2_767 2_767 ?
O11 Dy2 O7 88.18(6) . . ?
O11 Dy2 O8 141.83(6) . 2_776 ?
O7 Dy2 O8 93.37(6) . 2_776 ?
O11 Dy2 O9 73.60(6) . . ?
O7 Dy2 O9 77.00(7) . . ?
O8 Dy2 O9 143.71(6) 2_776 . ?
O11 Dy2 O10 78.35(6) . 2_876 ?
O7 Dy2 O10 137.07(6) . 2_876 ?
O8 Dy2 O10 74.76(6) 2_776 2_876 ?
O9 Dy2 O10 134.70(6) . 2_876 ?
O11 Dy2 O12 121.18(6) . 2_876 ?
O7 Dy2 O12 140.72(6) . 2_876 ?
O8 Dy2 O12 79.16(6) 2_776 2_876 ?
O9 Dy2 O12 86.52(6) . 2_876 ?
O10 Dy2 O12 78.42(6) 2_876 2_876 ?
O11 Dy2 O3W 75.49(6) . . ?
O7 Dy2 O3W 68.12(6) . . ?
O8 Dy2 O3W 69.88(6) 2_776 . ?
O9 Dy2 O3W 133.51(6) . . ?
O10 Dy2 O3W 69.07(6) 2_876 . ?
O12 Dy2 O3W 139.64(6) 2_876 . ?
O11 Dy2 O4W 141.10(6) . . ?
O7 Dy2 O4W 73.40(6) . . ?
O8 Dy2 O4W 74.66(6) 2_776 . ?
O9 Dy2 O4W 69.05(6) . . ?
O10 Dy2 O4W 137.51(6) 2_876 . ?
O12 Dy2 O4W 67.42(6) 2_876 . ?
O3W Dy2 O4W 124.82(6) . . ?
O11 Dy2 O11 69.79(7) . 2_876 ?
O7 Dy2 O11 142.66(6) . 2_876 ?
O8 Dy2 O11 122.71(6) 2_776 2_876 ?
O9 Dy2 O11 68.17(6) . 2_876 ?
O10 Dy2 O11 69.07(6) 2_876 2_876 ?
O12 Dy2 O11 51.49(5) 2_876 2_876 ?
O3W Dy2 O11 129.65(6) . 2_876 ?
O4W Dy2 O11 104.92(6) . 2_876 ?
O11 Dy2 C16 95.71(6) . 2_876 ?
O7 Dy2 C16 149.93(6) . 2_876 ?
O8 Dy2 C16 101.45(6) 2_776 2_876 ?
O9 Dy2 C16 75.59(7) . 2_876 ?
O10 Dy2 C16 72.61(6) 2_876 2_876 ?
O12 Dy2 C16 25.56(6) 2_876 2_876 ?
O3W Dy2 C16 141.66(6) . 2_876 ?
O4W Dy2 C16 85.41(6) . 2_876 ?
O11 Dy2 C16 25.94(6) 2_876 2_876 ?
O11 Dy2 Dy2 37.00(4) . 2_876 ?
O7 Dy2 Dy2 119.44(5) . 2_876 ?
O8 Dy2 Dy2 143.16(4) 2_776 2_876 ?
O9 Dy2 Dy2 66.33(4) . 2_876 ?
O10 Dy2 Dy2 69.78(4) 2_876 2_876 ?
O12 Dy2 Dy2 84.22(4) 2_876 2_876 ?
O3W Dy2 Dy2 105.35(5) . 2_876 ?
O4W Dy2 Dy2 127.89(4) . 2_876 ?
O11 Dy2 Dy2 32.78(4) 2_876 2_876 ?
C16 Dy2 Dy2 58.71(5) 2_876 2_876 ?
O13 Cl1 O14 110.36(13) . . ?
O13 Cl1 O16 110.11(13) . . ?
O14 Cl1 O16 109.04(12) . . ?
O13 Cl1 O15 109.56(13) . . ?
O14 Cl1 O15 108.21(12) . . ?
O16 Cl1 O15 109.53(12) . . ?
O18 Cl2 O17 110.32(13) . . ?
O18 Cl2 O20 109.49(13) . . ?
O17 Cl2 O20 109.58(15) . . ?
O18 Cl2 O19 109.31(13) . . ?
O17 Cl2 O19 108.56(15) . . ?
O20 Cl2 O19 109.56(16) . . ?
O24 Cl3 O21 110.06(15) . . ?
O24 Cl3 O23 109.44(19) . . ?
O21 Cl3 O23 108.84(15) . . ?
O24 Cl3 O22 109.67(15) . . ?
O21 Cl3 O22 110.18(15) . . ?
O23 Cl3 O22 108.62(14) . . ?
O27 Cl4 O26 109.96(14) . . ?
O27 Cl4 O25 110.25(13) . . ?
O26 Cl4 O25 109.31(13) . . ?
O27 Cl4 O28 109.82(13) . . ?
O26 Cl4 O28 109.03(12) . . ?
O25 Cl4 O28 108.43(12) . . ?
O29 Cl5 O32 111.04(19) . . ?
O29 Cl5 O30 109.08(16) . . ?
O32 Cl5 O30 109.40(16) . . ?
O29 Cl5 O31 111.2(2) . . ?
O32 Cl5 O31 108.14(15) . . ?
O30 Cl5 O31 107.96(16) . . ?
O36 Cl6 O34 111.22(15) . . ?
O36 Cl6 O35 110.08(13) . . ?
O34 Cl6 O35 108.97(13) . . ?
O36 Cl6 O33 109.11(13) . . ?
O34 Cl6 O33 108.89(12) . . ?
O35 Cl6 O33 108.51(12) . . ?
O1 C1 O2 124.2(2) . . ?
O1 C1 C2 116.9(2) . . ?
O2 C1 C2 118.9(2) . . ?
C1 C2 C3 114.6(2) . . ?
C1 C2 H2A 108.6 . . ?
C3 C2 H2A 108.6 . . ?
C1 C2 H2B 108.6 . . ?
C3 C2 H2B 108.6 . . ?
H2A C2 H2B 107.6 . . ?
N1 C3 C2 111.7(2) . . ?
N1 C3 H3A 109.3 . . ?
C2 C3 H3A 109.3 . . ?
N1 C3 H3B 109.3 . . ?
C2 C3 H3B 109.3 . . ?
H3A C3 H3B 107.9 . . ?
O4 C4 O3 119.8(2) . . ?
O4 C4 C5 120.8(2) . . ?
O3 C4 C5 119.4(2) . . ?
O4 C4 Dy1 56.80(12) . 2_767 ?
O3 C4 Dy1 63.26(12) . 2_767 ?
C5 C4 Dy1 174.78(17) . 2_767 ?
C4 C5 C6 114.6(2) . . ?
C4 C5 H5A 108.6 . . ?
C6 C5 H5A 108.6 . . ?
C4 C5 H5B 108.6 . . ?
C6 C5 H5B 108.6 . . ?
H5A C5 H5B 107.6 . . ?
N2 C6 C5 111.5(2) . . ?
N2 C6 H6A 109.3 . . ?
C5 C6 H6A 109.3 . . ?
N2 C6 H6B 109.3 . . ?
C5 C6 H6B 109.3 . . ?
H6A C6 H6B 108.0 . . ?
O5 C7 O6 126.2(2) . . ?
O5 C7 C8 116.8(2) . . ?
O6 C7 C8 117.0(2) . . ?
C9 C8 C7 113.6(2) . . ?
C9 C8 H8A 108.8 . . ?
C7 C8 H8A 108.8 . . ?
C9 C8 H8B 108.8 . . ?
C7 C8 H8B 108.8 . . ?
H8A C8 H8B 107.7 . . ?
N3 C9 C8 110.4(2) . . ?
N3 C9 H9A 109.6 . . ?
C8 C9 H9A 109.6 . . ?
N3 C9 H9B 109.6 . . ?
C8 C9 H9B 109.6 . . ?
H9A C9 H9B 108.1 . . ?
O7 C10 O8 124.4(2) . . ?
O7 C10 C11 117.1(2) . . ?
O8 C10 C11 118.5(2) . . ?
C12 C11 C10 115.5(2) . . ?
C12 C11 H11A 108.4 . . ?
C10 C11 H11A 108.4 . . ?
C12 C11 H11B 108.4 . . ?
C10 C11 H11B 108.4 . . ?
H11A C11 H11B 107.5 . . ?
N4 C12 C11 112.4(2) . . ?
N4 C12 H12A 109.1 . . ?
C11 C12 H12A 109.1 . . ?
N4 C12 H12B 109.1 . . ?
C11 C12 H12B 109.1 . . ?
H12A C12 H12B 107.8 . . ?
O10 C13 O9 125.4(2) . . ?
O10 C13 C14 119.0(2) . . ?
O9 C13 C14 115.6(2) . . ?
C13 C14 C15 111.4(2) . . ?
C13 C14 H14A 109.3 . . ?
C15 C14 H14A 109.3 . . ?
C13 C14 H14B 109.3 . . ?
C15 C14 H14B 109.3 . . ?
H14A C14 H14B 108.0 . . ?
N5 C15 C14 111.3(2) . . ?
N5 C15 H15A 109.4 . . ?
C14 C15 H15A 109.4 . . ?
N5 C15 H15B 109.4 . . ?
C14 C15 H15B 109.4 . . ?
H15A C15 H15B 108.0 . . ?
O12 C16 O11 119.9(2) . . ?
O12 C16 C17 121.4(2) . . ?
O11 C16 C17 118.8(2) . . ?
O12 C16 Dy2 58.21(12) . 2_876 ?
O11 C16 Dy2 61.70(12) . 2_876 ?
C17 C16 Dy2 176.41(16) . 2_876 ?
C16 C17 C18 114.5(2) . . ?
C16 C17 H17A 108.6 . . ?
C18 C17 H17A 108.6 . . ?
C16 C17 H17B 108.6 . . ?
C18 C17 H17B 108.6 . . ?
H17A C17 H17B 107.6 . . ?
N6 C18 C17 111.9(2) . . ?
N6 C18 H18A 109.2 . . ?
C17 C18 H18A 109.2 . . ?
N6 C18 H18B 109.2 . . ?
C17 C18 H18B 109.2 . . ?
H18A C18 H18B 107.9 . . ?
Dy1 O1W H1WA 110(2) . . ?
Dy1 O1W H1WB 117(2) . . ?
H1WA O1W H1WB 108(2) . . ?
Dy1 O2W H2WA 127.2(18) . . ?
Dy1 O2W H2WB 120.5(19) . . ?
H2WA O2W H2WB 105(2) . . ?
Dy2 O3W H3WA 127(2) . . ?
Dy2 O3W H3WB 122.0(19) . . ?
H3WA O3W H3WB 110(2) . . ?
Dy2 O4W H4WA 113(2) . . ?
Dy2 O4W H4WB 111(2) . . ?
H4WA O4W H4WB 110(2) . . ?
H5WA O5W H5WB 102(2) . . ?
C1 O1 Dy1 149.10(16) . . ?
C1 O2 Dy1 153.85(16) . 2_667 ?
C4 O3 Dy1 157.82(16) . . ?
C4 O3 Dy1 90.94(14) . 2_767 ?
Dy1 O3 Dy1 108.50(6) . 2_767 ?
C4 O4 Dy1 97.71(14) . 2_767 ?
C7 O5 Dy1 141.82(16) . . ?
C7 O6 Dy1 132.81(15) . 2_767 ?
C10 O7 Dy2 145.71(16) . . ?
C10 O8 Dy2 149.17(16) . 2_776 ?
C13 O9 Dy2 141.27(16) . . ?
C13 O10 Dy2 132.90(16) . 2_876 ?
C16 O11 Dy2 157.34(16) . . ?
C16 O11 Dy2 92.36(14) . 2_876 ?
Dy2 O11 Dy2 110.22(7) . 2_876 ?
C16 O12 Dy2 96.23(14) . 2_876 ?
C3 N1 H01A 109.5 . . ?
C3 N1 H01B 109.5 . . ?
H01A N1 H01B 109.5 . . ?
C3 N1 H01C 109.5 . . ?
H01A N1 H01C 109.5 . . ?
H01B N1 H01C 109.5 . . ?
C6 N2 H02A 109.5 . . ?
C6 N2 H02B 109.5 . . ?
H02A N2 H02B 109.5 . . ?
C6 N2 H02C 109.5 . . ?
H02A N2 H02C 109.5 . . ?
H02B N2 H02C 109.5 . . ?
C9 N3 H03A 109.5 . . ?
C9 N3 H03B 109.5 . . ?
H03A N3 H03B 109.5 . . ?
C9 N3 H03C 109.5 . . ?
H03A N3 H03C 109.5 . . ?
H03B N3 H03C 109.5 . . ?
C12 N4 H04A 109.5 . . ?
C12 N4 H04B 109.5 . . ?
H04A N4 H04B 109.5 . . ?
C12 N4 H04C 109.5 . . ?
H04A N4 H04C 109.5 . . ?
H04B N4 H04C 109.5 . . ?
C15 N5 H05A 109.5 . . ?
C15 N5 H05B 109.5 . . ?
H05A N5 H05B 109.5 . . ?
C15 N5 H05C 109.5 . . ?
H05A N5 H05C 109.5 . . ?
H05B N5 H05C 109.5 . . ?
C18 N6 H06A 109.5 . . ?
C18 N6 H06B 109.5 . . ?
H06A N6 H06B 109.5 . . ?
C18 N6 H06C 109.5 . . ?
H06A N6 H06C 109.5 . . ?
H06B N6 H06C 109.5 . . ?

_refine_diff_density_max         1.189
_refine_diff_density_min         -1.117
_refine_diff_density_rms         0.116


_exptl_crystal_preparation       'Magnetic properties'
