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

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 1513970'
_audit_update_record             
;
2016-11-30 deposited with the CCDC.
2016-12-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '3(C16 H48 Cl2 Dy2 N10 O2), 2(As3 Se6)'
_chemical_formula_sum            'C48 H144 As6 Cl6 Dy6 N30 O6 Se12'
_chemical_formula_weight         3822.67

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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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'

_space_group_crystal_system      trigonal
_space_group_IT_number           161
_space_group_name_H-M_alt        'R 3 c'
_space_group_name_Hall           'R 3 -2"c'

_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'
'-y, x-y, z'
'-x+y, -x, z'
'-y, -x, z+1/2'
'-x+y, y, z+1/2'
'x, x-y, z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'-y+2/3, -x+1/3, z+5/6'
'-x+y+2/3, y+1/3, z+5/6'
'x+2/3, x-y+1/3, z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-y+1/3, -x+2/3, z+7/6'
'-x+y+1/3, y+2/3, z+7/6'
'x+1/3, x-y+2/3, z+7/6'

_cell_length_a                   23.7651(10)
_cell_length_b                   23.7651(10)
_cell_length_c                   33.358(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     16316(2)
_cell_formula_units_Z            6
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    5129
_cell_measurement_theta_min      1.57
_cell_measurement_theta_max      25.10

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.334
_exptl_crystal_F_000             10764
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    10.096
_shelx_estimated_absorpt_T_min   0.377
_shelx_estimated_absorpt_T_max   0.499
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3771
_exptl_absorpt_correction_T_max  0.4989
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.31
_diffrn_reflns_number            12443
_diffrn_reflns_av_unetI/netI     0.0876
_diffrn_reflns_av_R_equivalents  0.0612
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_theta_min         1.571
_diffrn_reflns_theta_max         26.387
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.773
_diffrn_reflns_point_group_measured_fraction_full 0.792
_reflns_number_total             5742
_reflns_number_gt                4225
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.557
_reflns_Friedel_fraction_max     0.554
_reflns_Friedel_fraction_full    0.584

_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       'CrystalClear, Ver. 1.30 (Rigaku/MSC, 2001)'
_computing_cell_refinement       'CrystalClear, Ver. 1.30 (Rigaku/MSC, 2001)'
_computing_data_reduction        
'CrystalStructure, Ver. 3.60 (Rigaku/MSC, 2004)'
_computing_structure_solution    'SHELXS-2016/6 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL-2016/6
_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)+(0.0680P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 1227 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.03(2)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         5742
_refine_ls_number_parameters     399
_refine_ls_number_restraints     340
_refine_ls_R_factor_all          0.0830
_refine_ls_R_factor_gt           0.0542
_refine_ls_wR_factor_ref         0.1362
_refine_ls_wR_factor_gt          0.1224
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_restrained_S_all      0.998
_refine_ls_shift/su_max          0.000
_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 0.54674(5) 0.51047(5) 0.13877(3) 0.0244(3) Uani 1 1 d . . . . .
Dy2 Dy 0.44629(5) 0.48763(5) 0.22996(3) 0.0259(3) Uani 1 1 d . . . . .
Cl1 Cl 0.6347(3) 0.6365(3) 0.1596(2) 0.0358(15) Uani 1 1 d . . . . .
Cl2 Cl 0.3738(4) 0.3578(3) 0.2060(2) 0.0492(19) Uani 1 1 d . . . . .
O1W O 0.5379(7) 0.4962(7) 0.2073(5) 0.021(4) Uani 1 1 d . . . . .
H10D H 0.568834 0.494238 0.223384 0.025 Uiso 1 1 calc R U . . .
O2W O 0.4529(7) 0.4992(7) 0.1622(6) 0.028(4) Uani 1 1 d . . . . .
H10C H 0.420838 0.499283 0.146254 0.033 Uiso 1 1 calc R U . . .
N1 N 0.5216(10) 0.5763(10) 0.0877(6) 0.036(5) Uani 1 1 d D U . . .
H1A H 0.491419 0.583983 0.097872 0.043 Uiso 1 1 calc R U . . .
H1B H 0.557296 0.614406 0.083541 0.043 Uiso 1 1 calc R U . . .
N2 N 0.4767(8) 0.4408(8) 0.0804(6) 0.035(5) Uani 1 1 d D U . . .
H2C H 0.506835 0.435215 0.063031 0.042 Uiso 1 1 calc R U . . .
N3 N 0.5058(10) 0.3892(10) 0.1478(6) 0.046(6) Uani 1 1 d D U . . .
H3C H 0.481081 0.375553 0.172859 0.056 Uiso 0.732(8) 1 calc R U P A 1
H3M H 0.471234 0.380381 0.167060 0.056 Uiso 0.268(8) 1 calc R U P A 2
N4 N 0.6408(9) 0.4904(10) 0.1562(6) 0.037(5) Uani 1 1 d D U . . .
H4H H 0.659093 0.517714 0.180087 0.045 Uiso 0.732(8) 1 calc R U P A 1
H4M H 0.653338 0.499475 0.184509 0.045 Uiso 0.268(8) 1 calc R U P A 2
N5 N 0.6330(9) 0.5470(9) 0.0835(5) 0.032(4) Uani 1 1 d D U . . .
H5A H 0.617652 0.517622 0.063862 0.039 Uiso 1 1 calc R U . . .
H5B H 0.639336 0.584337 0.073329 0.039 Uiso 1 1 calc R U . . .
N6 N 0.4673(11) 0.4282(11) 0.2857(6) 0.042(5) Uani 1 1 d D U . . .
H6A H 0.431111 0.390101 0.288959 0.051 Uiso 1 1 calc R U . . .
H6B H 0.497690 0.419638 0.277002 0.051 Uiso 1 1 calc R U . . .
N7 N 0.4862(13) 0.5493(12) 0.2956(8) 0.071(6) Uani 1 1 d D U . . .
H7C H 0.459708 0.570237 0.297236 0.086 Uiso 1 1 calc R U . . .
N8 N 0.5147(11) 0.6126(11) 0.2210(7) 0.056(6) Uani 1 1 d D U . . .
H8C H 0.551368 0.620962 0.203666 0.067 Uiso 1 1 calc R U . . .
N9 N 0.3766(9) 0.5384(10) 0.2124(7) 0.051(6) Uani 1 1 d D U . . .
H4C H 0.366667 0.530483 0.183784 0.061 Uiso 1 1 calc R U . . .
N10 N 0.3413(10) 0.4375(11) 0.2692(7) 0.053(6) Uani 1 1 d D U . . .
H10A H 0.329574 0.396951 0.276263 0.064 Uiso 1 1 calc R U . . .
H10B H 0.345927 0.460407 0.291263 0.064 Uiso 1 1 calc R U . . .
C1 C 0.4980(12) 0.5415(11) 0.0485(8) 0.056(8) Uani 1 1 d D U . . .
H1C H 0.534597 0.546119 0.033032 0.068 Uiso 1 1 calc R U . . .
H1D H 0.477027 0.560732 0.033303 0.068 Uiso 1 1 calc R U . . .
C2 C 0.4501(12) 0.4698(11) 0.0556(9) 0.064(8) Uani 1 1 d D U . . .
H2A H 0.411147 0.465287 0.068093 0.076 Uiso 1 1 calc R U . . .
H2B H 0.437827 0.447391 0.030072 0.076 Uiso 1 1 calc R U . . .
C3 C 0.4295(11) 0.3747(10) 0.0938(8) 0.053(7) Uani 1 1 d D U . . .
H3A H 0.406873 0.347817 0.070850 0.063 Uiso 1 1 calc R U . . .
H3B H 0.397554 0.376111 0.111285 0.063 Uiso 1 1 calc R U . . .
C4 C 0.4641(13) 0.3456(11) 0.1160(8) 0.056(7) Uani 1 1 d D U . . .
H4A H 0.432315 0.304495 0.127764 0.067 Uiso 1 1 calc R U . . .
H4B H 0.490328 0.337303 0.097346 0.067 Uiso 1 1 calc R U . . .
C5 C 0.5608(15) 0.3782(17) 0.1519(13) 0.061(9) Uani 0.732(8) 1 d D U P A 1
H5C H 0.572201 0.371115 0.125206 0.074 Uiso 0.732(8) 1 calc R U P A 1
H5D H 0.545459 0.337860 0.166536 0.074 Uiso 0.732(8) 1 calc R U P A 1
C6 C 0.6223(16) 0.4279(12) 0.1717(13) 0.063(8) Uani 0.732(8) 1 d D U P A 1
H6E H 0.615696 0.427293 0.200409 0.075 Uiso 0.732(8) 1 calc R U P A 1
H6F H 0.656467 0.417811 0.166733 0.075 Uiso 0.732(8) 1 calc R U P A 1
C5B C 0.551(3) 0.387(6) 0.176(3) 0.061(14) Uani 0.268(8) 1 d D U P A 2
H5E H 0.540874 0.343148 0.182500 0.073 Uiso 0.268(8) 1 calc R U P A 2
H5F H 0.556280 0.411646 0.200249 0.073 Uiso 0.268(8) 1 calc R U P A 2
C6B C 0.609(4) 0.4214(18) 0.147(3) 0.056(12) Uani 0.268(8) 1 d D U P A 2
H6C H 0.638881 0.405383 0.151128 0.067 Uiso 0.268(8) 1 calc R U P A 2
H6D H 0.594018 0.413575 0.119722 0.067 Uiso 0.268(8) 1 calc R U P A 2
C7 C 0.6954(13) 0.5156(16) 0.1306(9) 0.077(8) Uani 1 1 d D U . . .
H7A H 0.698954 0.479536 0.119995 0.092 Uiso 1 1 calc R U . . .
H7B H 0.733975 0.542045 0.146517 0.092 Uiso 1 1 calc R U . . .
C8 C 0.6946(12) 0.5555(15) 0.0963(9) 0.071(8) Uani 1 1 d D U . . .
H8A H 0.722241 0.600924 0.103307 0.086 Uiso 1 1 calc R U . . .
H8B H 0.714446 0.546879 0.073485 0.086 Uiso 1 1 calc R U . . .
C9 C 0.4871(19) 0.4574(16) 0.3245(9) 0.092(12) Uani 1 1 d D U . . .
H9A H 0.534112 0.482063 0.326182 0.111 Uiso 1 1 calc R U . . .
H9B H 0.470966 0.424178 0.345092 0.111 Uiso 1 1 calc R U . . .
C10 C 0.459(2) 0.5020(17) 0.3304(10) 0.119(13) Uani 1 1 d D U . . .
H10M H 0.473076 0.524673 0.355786 0.142 Uiso 1 1 calc R U . . .
H10N H 0.412117 0.477597 0.329614 0.142 Uiso 1 1 calc R U . . .
C11 C 0.5510(16) 0.6056(16) 0.2902(11) 0.101(11) Uani 1 1 d D U . . .
H11A H 0.581351 0.592243 0.281040 0.121 Uiso 1 1 calc R U . . .
H11B H 0.566989 0.629488 0.315061 0.121 Uiso 1 1 calc R U . . .
C12 C 0.5424(17) 0.6470(15) 0.2585(8) 0.091(11) Uani 1 1 d D U . . .
H12A H 0.514390 0.662187 0.269176 0.109 Uiso 1 1 calc R U . . .
H12B H 0.584354 0.684858 0.252902 0.109 Uiso 1 1 calc R U . . .
C13 C 0.4772(12) 0.6362(13) 0.1994(9) 0.066(7) Uani 1 1 d D U . . .
H13A H 0.472840 0.623070 0.171564 0.080 Uiso 1 1 calc R U . . .
H13B H 0.499735 0.683287 0.200413 0.080 Uiso 1 1 calc R U . . .
C14 C 0.4108(12) 0.6091(11) 0.2180(9) 0.058(6) Uani 1 1 d D U . . .
H14A H 0.414612 0.619678 0.246303 0.069 Uiso 1 1 calc R U . . .
H14B H 0.387009 0.627447 0.205049 0.069 Uiso 1 1 calc R U . . .
C15 C 0.3157(12) 0.5084(12) 0.2329(10) 0.063(7) Uani 1 1 d D U . . .
H15A H 0.283783 0.511703 0.216488 0.076 Uiso 1 1 calc R U . . .
H15B H 0.320245 0.531628 0.257736 0.076 Uiso 1 1 calc R U . . .
C16 C 0.2913(12) 0.4379(13) 0.2423(9) 0.067(8) Uani 1 1 d D U . . .
H16A H 0.249525 0.418711 0.255713 0.080 Uiso 1 1 calc R U . . .
H16B H 0.286754 0.413691 0.217981 0.080 Uiso 1 1 calc R U . . .
Se1 Se 0.64839(14) 0.49811(13) 0.27621(11) 0.0598(9) Uani 1 1 d . . . . .
Se3 Se 0.86575(16) 0.43493(18) 0.00252(11) 0.0730(10) Uani 1 1 d . . . . .
As1 As 0.65377(16) 0.40812(15) 0.29318(12) 0.0299(12) Uani 0.732(8) 1 d . U P A
1
Se2 Se 0.7494(2) 0.4305(2) 0.25588(17) 0.0435(12) Uani 0.732(8) 1 d . U P A 1
As2 As 0.76679(17) 0.38649(19) 0.03359(12) 0.0464(11) Uani 0.803(5) 1 d . U P B
1
Se4 Se 0.7159(2) 0.4371(2) 0.00121(19) 0.0763(17) Uani 0.803(5) 1 d . U P B 1
As1' As 0.6663(6) 0.4166(6) 0.2471(4) 0.058(4) Uani 0.268(8) 1 d . U P A 2
Se2' Se 0.7571(8) 0.4246(9) 0.2813(7) 0.079(5) Uani 0.268(8) 1 d . U P A 2
As2' As 0.7635(10) 0.3768(11) -0.0089(7) 0.098(6) Uani 0.197(5) 1 d . U P B 2
Se4' Se 0.7260(13) 0.4195(14) 0.0431(10) 0.128(8) Uani 0.197(5) 1 d . U P B 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O2W 2.250(14) . ?
Dy1 O1W 2.305(16) . ?
Dy1 N3 2.56(2) . ?
Dy1 N2 2.558(19) . ?
Dy1 N5 2.565(18) . ?
Dy1 N4 2.574(17) . ?
Dy1 N1 2.58(2) . ?
Dy1 Cl1 2.749(6) . ?
Dy1 Dy2 3.7350(13) . ?
Dy2 O1W 2.216(13) . ?
Dy2 O2W 2.272(19) . ?
Dy2 N10 2.53(2) . ?
Dy2 N6 2.53(2) . ?
Dy2 N7 2.54(3) . ?
Dy2 N9 2.56(2) . ?
Dy2 N8 2.59(2) . ?
Dy2 Cl2 2.794(7) . ?
O1W H10D 0.9300 . ?
O2W H10C 0.9300 . ?
N1 C1 1.50(2) . ?
N1 H1A 0.8900 . ?
N1 H1B 0.8900 . ?
N2 C2 1.41(2) . ?
N2 C3 1.472(19) . ?
N2 H2C 0.9800 . ?
N3 C5B 1.45(3) . ?
N3 C5 1.46(2) . ?
N3 C4 1.47(2) . ?
N3 H3C 0.9800 . ?
N3 H3M 0.9800 . ?
N4 C7 1.41(2) . ?
N4 C6 1.42(2) . ?
N4 C6B 1.45(3) . ?
N4 H4H 0.9800 . ?
N4 H4M 0.9800 . ?
N5 C8 1.44(2) . ?
N5 H5A 0.8900 . ?
N5 H5B 0.8900 . ?
N6 C9 1.43(2) . ?
N6 H6A 0.8900 . ?
N6 H6B 0.8900 . ?
N7 C11 1.46(2) . ?
N7 C10 1.52(2) . ?
N7 H7C 0.9800 . ?
N8 C13 1.46(2) . ?
N8 C12 1.46(2) . ?
N8 H8C 0.9800 . ?
N9 C15 1.43(2) . ?
N9 C14 1.47(2) . ?
N9 H4C 0.9800 . ?
N10 C16 1.49(2) . ?
N10 H10A 0.8900 . ?
N10 H10B 0.8900 . ?
C1 C2 1.52(2) . ?
C1 H1C 0.9700 . ?
C1 H1D 0.9700 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.51(2) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.50(2) . ?
C5 H5C 0.9700 . ?
C5 H5D 0.9700 . ?
C6 H6E 0.9700 . ?
C6 H6F 0.9700 . ?
C5B C6B 1.53(3) . ?
C5B H5E 0.9700 . ?
C5B H5F 0.9700 . ?
C6B H6C 0.9700 . ?
C6B H6D 0.9700 . ?
C7 C8 1.49(2) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.52(2) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10M 0.9700 . ?
C10 H10N 0.9700 . ?
C11 C12 1.53(2) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.51(2) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.51(2) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
Se1 As1 2.277(4) . ?
Se1 As1' 2.387(14) . ?
Se3 As2' 2.14(2) . ?
Se3 As2 2.285(5) . ?
As1 Se2 2.405(6) . ?
As1 Se2 2.410(6) 2_655 ?
As2 Se4 2.351(6) . ?
As2 Se4 2.372(6) 3_665 ?
As1' Se2' 2.36(2) . ?
As1' Se2' 2.38(2) 2_655 ?
As2' Se4' 2.39(4) . ?
As2' Se4' 2.77(4) 3_665 ?

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
O2W Dy1 O1W 68.0(5) . . ?
O2W Dy1 N3 91.7(6) . . ?
O1W Dy1 N3 76.2(6) . . ?
O2W Dy1 N2 84.4(7) . . ?
O1W Dy1 N2 132.6(6) . . ?
N3 Dy1 N2 66.5(6) . . ?
O2W Dy1 N5 150.2(6) . . ?
O1W Dy1 N5 139.6(5) . . ?
N3 Dy1 N5 104.8(7) . . ?
N2 Dy1 N5 79.8(6) . . ?
O2W Dy1 N4 143.1(6) . . ?
O1W Dy1 N4 76.8(5) . . ?
N3 Dy1 N4 69.0(6) . . ?
N2 Dy1 N4 113.3(6) . . ?
N5 Dy1 N4 66.7(5) . . ?
O2W Dy1 N1 77.6(6) . . ?
O1W Dy1 N1 135.5(6) . . ?
N3 Dy1 N1 133.5(6) . . ?
N2 Dy1 N1 67.5(6) . . ?
N5 Dy1 N1 73.0(6) . . ?
N4 Dy1 N1 138.5(6) . . ?
O2W Dy1 Cl1 102.2(4) . . ?
O1W Dy1 Cl1 82.7(4) . . ?
N3 Dy1 Cl1 148.4(5) . . ?
N2 Dy1 Cl1 142.3(4) . . ?
N5 Dy1 Cl1 76.7(5) . . ?
N4 Dy1 Cl1 83.5(5) . . ?
N1 Dy1 Cl1 77.7(5) . . ?
O2W Dy1 Dy2 34.5(5) . . ?
O1W Dy1 Dy2 33.5(3) . . ?
N3 Dy1 Dy2 83.4(5) . . ?
N2 Dy1 Dy2 111.3(4) . . ?
N5 Dy1 Dy2 168.4(4) . . ?
N4 Dy1 Dy2 109.9(4) . . ?
N1 Dy1 Dy2 107.5(5) . . ?
Cl1 Dy1 Dy2 92.02(14) . . ?
O1W Dy2 O2W 69.2(5) . . ?
O1W Dy2 N10 155.9(6) . . ?
O2W Dy2 N10 124.3(6) . . ?
O1W Dy2 N6 80.9(6) . . ?
O2W Dy2 N6 141.0(6) . . ?
N10 Dy2 N6 77.3(7) . . ?
O1W Dy2 N7 100.1(7) . . ?
O2W Dy2 N7 143.5(7) . . ?
N10 Dy2 N7 79.7(8) . . ?
N6 Dy2 N7 64.4(7) . . ?
O1W Dy2 N9 135.8(6) . . ?
O2W Dy2 N9 74.8(6) . . ?
N10 Dy2 N9 67.7(6) . . ?
N6 Dy2 N9 141.9(7) . . ?
N7 Dy2 N9 93.9(8) . . ?
O1W Dy2 N8 80.3(6) . . ?
O2W Dy2 N8 77.3(6) . . ?
N10 Dy2 N8 120.4(7) . . ?
N6 Dy2 N8 122.6(7) . . ?
N7 Dy2 N8 66.4(7) . . ?
N9 Dy2 N8 67.4(7) . . ?
O1W Dy2 Cl2 92.2(4) . . ?
O2W Dy2 Cl2 79.4(4) . . ?
N10 Dy2 Cl2 73.1(6) . . ?
N6 Dy2 Cl2 77.2(5) . . ?
N7 Dy2 Cl2 136.9(5) . . ?
N9 Dy2 Cl2 105.5(5) . . ?
N8 Dy2 Cl2 156.7(5) . . ?
O1W Dy2 Dy1 35.1(4) . . ?
O2W Dy2 Dy1 34.1(3) . . ?
N10 Dy2 Dy1 154.0(5) . . ?
N6 Dy2 Dy1 112.9(5) . . ?
N7 Dy2 Dy1 126.2(6) . . ?
N9 Dy2 Dy1 105.2(5) . . ?
N8 Dy2 Dy1 75.5(5) . . ?
Cl2 Dy2 Dy1 85.64(16) . . ?
Dy2 O1W Dy1 111.4(6) . . ?
Dy2 O1W H10D 124.3 . . ?
Dy1 O1W H10D 124.3 . . ?
Dy1 O2W Dy2 111.4(6) . . ?
Dy1 O2W H10C 124.3 . . ?
Dy2 O2W H10C 124.3 . . ?
C1 N1 Dy1 112.2(15) . . ?
C1 N1 H1A 109.2 . . ?
Dy1 N1 H1A 109.2 . . ?
C1 N1 H1B 109.2 . . ?
Dy1 N1 H1B 109.2 . . ?
H1A N1 H1B 107.9 . . ?
C2 N2 C3 114.2(17) . . ?
C2 N2 Dy1 115.7(16) . . ?
C3 N2 Dy1 111.2(14) . . ?
C2 N2 H2C 104.8 . . ?
C3 N2 H2C 104.8 . . ?
Dy1 N2 H2C 104.8 . . ?
C5B N3 C4 134(6) . . ?
C5 N3 C4 107(2) . . ?
C5B N3 Dy1 104(5) . . ?
C5 N3 Dy1 110.0(18) . . ?
C4 N3 Dy1 117.0(14) . . ?
C5 N3 H3C 107.5 . . ?
C4 N3 H3C 107.5 . . ?
Dy1 N3 H3C 107.5 . . ?
C5B N3 H3M 97.2 . . ?
C4 N3 H3M 97.2 . . ?
Dy1 N3 H3M 97.2 . . ?
C7 N4 C6 114(3) . . ?
C7 N4 C6B 102(4) . . ?
C7 N4 Dy1 118.9(15) . . ?
C6 N4 Dy1 115.6(17) . . ?
C6B N4 Dy1 99(4) . . ?
C7 N4 H4H 101.6 . . ?
C6 N4 H4H 101.6 . . ?
Dy1 N4 H4H 101.6 . . ?
C7 N4 H4M 112.0 . . ?
C6B N4 H4M 112.0 . . ?
Dy1 N4 H4M 112.0 . . ?
C8 N5 Dy1 114.7(15) . . ?
C8 N5 H5A 108.6 . . ?
Dy1 N5 H5A 108.6 . . ?
C8 N5 H5B 108.6 . . ?
Dy1 N5 H5B 108.6 . . ?
H5A N5 H5B 107.6 . . ?
C9 N6 Dy2 120.0(18) . . ?
C9 N6 H6A 107.3 . . ?
Dy2 N6 H6A 107.3 . . ?
C9 N6 H6B 107.3 . . ?
Dy2 N6 H6B 107.3 . . ?
H6A N6 H6B 106.9 . . ?
C11 N7 C10 129(3) . . ?
C11 N7 Dy2 110(2) . . ?
C10 N7 Dy2 110(2) . . ?
C11 N7 H7C 101.1 . . ?
C10 N7 H7C 101.1 . . ?
Dy2 N7 H7C 101.1 . . ?
C13 N8 C12 113(2) . . ?
C13 N8 Dy2 110.1(15) . . ?
C12 N8 Dy2 113.1(18) . . ?
C13 N8 H8C 106.5 . . ?
C12 N8 H8C 106.5 . . ?
Dy2 N8 H8C 106.5 . . ?
C15 N9 C14 111(2) . . ?
C15 N9 Dy2 112.9(15) . . ?
C14 N9 Dy2 113.2(15) . . ?
C15 N9 H4C 106.5 . . ?
C14 N9 H4C 106.5 . . ?
Dy2 N9 H4C 106.5 . . ?
C16 N10 Dy2 106.7(16) . . ?
C16 N10 H10A 110.4 . . ?
Dy2 N10 H10A 110.4 . . ?
C16 N10 H10B 110.4 . . ?
Dy2 N10 H10B 110.4 . . ?
H10A N10 H10B 108.6 . . ?
N1 C1 C2 110(2) . . ?
N1 C1 H1C 109.6 . . ?
C2 C1 H1C 109.6 . . ?
N1 C1 H1D 109.6 . . ?
C2 C1 H1D 109.6 . . ?
H1C C1 H1D 108.1 . . ?
N2 C2 C1 111.8(19) . . ?
N2 C2 H2A 109.3 . . ?
C1 C2 H2A 109.3 . . ?
N2 C2 H2B 109.3 . . ?
C1 C2 H2B 109.3 . . ?
H2A C2 H2B 107.9 . . ?
N2 C3 C4 109.8(19) . . ?
N2 C3 H3A 109.7 . . ?
C4 C3 H3A 109.7 . . ?
N2 C3 H3B 109.7 . . ?
C4 C3 H3B 109.7 . . ?
H3A C3 H3B 108.2 . . ?
N3 C4 C3 111(2) . . ?
N3 C4 H4A 109.4 . . ?
C3 C4 H4A 109.4 . . ?
N3 C4 H4B 109.4 . . ?
C3 C4 H4B 109.4 . . ?
H4A C4 H4B 108.0 . . ?
N3 C5 C6 121(3) . . ?
N3 C5 H5C 107.2 . . ?
C6 C5 H5C 107.2 . . ?
N3 C5 H5D 107.2 . . ?
C6 C5 H5D 107.2 . . ?
H5C C5 H5D 106.8 . . ?
N4 C6 C5 110(3) . . ?
N4 C6 H6E 109.7 . . ?
C5 C6 H6E 109.7 . . ?
N4 C6 H6F 109.7 . . ?
C5 C6 H6F 109.7 . . ?
H6E C6 H6F 108.2 . . ?
N3 C5B C6B 93(6) . . ?
N3 C5B H5E 113.0 . . ?
C6B C5B H5E 113.0 . . ?
N3 C5B H5F 113.0 . . ?
C6B C5B H5F 113.0 . . ?
H5E C5B H5F 110.4 . . ?
N4 C6B C5B 107(6) . . ?
N4 C6B H6C 110.3 . . ?
C5B C6B H6C 110.3 . . ?
N4 C6B H6D 110.3 . . ?
C5B C6B H6D 110.3 . . ?
H6C C6B H6D 108.5 . . ?
N4 C7 C8 116(2) . . ?
N4 C7 H7A 108.4 . . ?
C8 C7 H7A 108.4 . . ?
N4 C7 H7B 108.4 . . ?
C8 C7 H7B 108.4 . . ?
H7A C7 H7B 107.4 . . ?
N5 C8 C7 118(2) . . ?
N5 C8 H8A 107.8 . . ?
C7 C8 H8A 107.8 . . ?
N5 C8 H8B 107.8 . . ?
C7 C8 H8B 107.8 . . ?
H8A C8 H8B 107.1 . . ?
N6 C9 C10 108(3) . . ?
N6 C9 H9A 110.2 . . ?
C10 C9 H9A 110.2 . . ?
N6 C9 H9B 110.2 . . ?
C10 C9 H9B 110.2 . . ?
H9A C9 H9B 108.5 . . ?
C9 C10 N7 104(3) . . ?
C9 C10 H10M 110.9 . . ?
N7 C10 H10M 110.9 . . ?
C9 C10 H10N 110.9 . . ?
N7 C10 H10N 110.9 . . ?
H10M C10 H10N 108.9 . . ?
N7 C11 C12 105(3) . . ?
N7 C11 H11A 110.8 . . ?
C12 C11 H11A 110.8 . . ?
N7 C11 H11B 110.8 . . ?
C12 C11 H11B 110.8 . . ?
H11A C11 H11B 108.9 . . ?
N8 C12 C11 114(3) . . ?
N8 C12 H12A 108.8 . . ?
C11 C12 H12A 108.8 . . ?
N8 C12 H12B 108.8 . . ?
C11 C12 H12B 108.8 . . ?
H12A C12 H12B 107.7 . . ?
N8 C13 C14 110(2) . . ?
N8 C13 H13A 109.6 . . ?
C14 C13 H13A 109.6 . . ?
N8 C13 H13B 109.6 . . ?
C14 C13 H13B 109.6 . . ?
H13A C13 H13B 108.1 . . ?
N9 C14 C13 107.4(19) . . ?
N9 C14 H14A 110.2 . . ?
C13 C14 H14A 110.2 . . ?
N9 C14 H14B 110.2 . . ?
C13 C14 H14B 110.2 . . ?
H14A C14 H14B 108.5 . . ?
N9 C15 C16 113(2) . . ?
N9 C15 H15A 109.1 . . ?
C16 C15 H15A 109.1 . . ?
N9 C15 H15B 109.1 . . ?
C16 C15 H15B 109.1 . . ?
H15A C15 H15B 107.8 . . ?
N10 C16 C15 106(2) . . ?
N10 C16 H16A 110.6 . . ?
C15 C16 H16A 110.6 . . ?
N10 C16 H16B 110.6 . . ?
C15 C16 H16B 110.6 . . ?
H16A C16 H16B 108.8 . . ?
Se1 As1 Se2 98.87(19) . . ?
Se1 As1 Se2 106.63(19) . 2_655 ?
Se2 As1 Se2 101.8(3) . 2_655 ?
As1 Se2 As1 89.0(2) . 3_665 ?
Se3 As2 Se4 101.35(19) . . ?
Se3 As2 Se4 97.92(19) . 3_665 ?
Se4 As2 Se4 103.1(3) . 3_665 ?
As2 Se4 As2 98.3(3) . 2_655 ?
Se2' As1' Se1 105.4(7) . . ?
Se2' As1' Se1 91.8(7) 2_655 . ?
Se3 As2' Se4' 98.1(11) . . ?
Se3 As2' Se4' 116.3(12) . 3_665 ?
Se4' As2' Se4' 74.6(13) . 3_665 ?
As2' Se4' As2' 83.7(14) . 2_655 ?

_refine_diff_density_max         1.642
_refine_diff_density_min         -1.387
_refine_diff_density_rms         0.219

