# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_EG5099c
_database_code_depnum_ccdc_archive 'CCDC 999653'
_audit_update_record             
;
2014-04-27 deposited with the CCDC.
2015-07-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C8 H28 Cl3 Dy O22'
_chemical_formula_weight         745.15

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'
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'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.1195(7)
_cell_length_b                   10.2129(6)
_cell_length_c                   17.5681(10)
_cell_angle_alpha                90
_cell_angle_beta                 93.941(2)
_cell_angle_gamma                90
_cell_volume                     2348.4(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9208
_cell_measurement_theta_min      2.31
_cell_measurement_theta_max      36.42

_exptl_crystal_description       bock
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.108
_exptl_crystal_F_000             1476
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.29
_exptl_absorpt_coefficient_mu    3.618
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5818
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_process_details   'Bruker SADABS'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            30603
_diffrn_reflns_av_unetI/netI     0.0164
_diffrn_reflns_av_R_equivalents  0.0279
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.556
_diffrn_reflns_theta_max         26.368
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             4806
_reflns_number_gt                4743
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'


_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)+(0.0144P)²+4.3773P]
 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         4806
_refine_ls_number_parameters     343
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0213
_refine_ls_R_factor_gt           0.0208
_refine_ls_wR_factor_ref         0.0516
_refine_ls_wR_factor_gt          0.0514
_refine_ls_goodness_of_fit_ref   1.334
_refine_ls_restrained_S_all      1.332
_refine_ls_shift/su_max          0.004
_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
Dy01 Dy 0.25082(2) 0.22587(2) 0.64657(2) 0.00806(5) Uani 1 1 d . . . . .
O1 O 0.17482(15) 0.39672(19) 0.72489(11) 0.0131(4) Uani 1 1 d . . . . .
O2 O 0.14588(15) 0.39647(19) 0.57374(11) 0.0140(4) Uani 1 1 d . . . . .
O3 O 0.34895(15) 0.3767(2) 0.56862(12) 0.0159(4) Uani 1 1 d . . . . .
O4 O 0.37885(15) 0.37526(19) 0.71983(12) 0.0137(4) Uani 1 1 d . . . . .
O5 O 0.08678(15) 0.1648(2) 0.67798(13) 0.0163(4) Uani 1 1 d D . . . .
H51 H 0.053(3) 0.205(3) 0.7111(18) 0.024 Uiso 1 1 d D U . . .
H52 H 0.055(2) 0.094(2) 0.6607(19) 0.024 Uiso 1 1 d D U . . .
O6 O 0.20662(17) 0.1528(2) 0.52390(12) 0.0191(5) Uani 1 1 d D . . . .
H61 H 0.223(3) 0.074(2) 0.509(2) 0.029 Uiso 1 1 d D U . . .
H62 H 0.168(3) 0.193(3) 0.4891(18) 0.029 Uiso 1 1 d D U . . .
O7 O 0.23610(16) -0.0118(2) 0.64498(12) 0.0151(4) Uani 1 1 d D . . . .
H71 H 0.228(3) -0.054(3) 0.6013(12) 0.023 Uiso 1 1 d D U . . .
H72 H 0.239(3) -0.056(4) 0.6824(14) 0.023 Uiso 1 1 d D U . . .
O8 O 0.41075(15) 0.1317(2) 0.62119(12) 0.0162(4) Uani 1 1 d D . . . .
H81 H 0.446(3) 0.160(3) 0.5838(16) 0.024 Uiso 1 1 d D U . . .
H82 H 0.412(3) 0.0466(18) 0.624(2) 0.024 Uiso 1 1 d D U . . .
O9 O 0.29129(16) 0.1458(2) 0.76946(12) 0.0163(4) Uani 1 1 d D . . . .
H91 H 0.339(2) 0.176(3) 0.8023(17) 0.024 Uiso 1 1 d D U . . .
H92 H 0.257(2) 0.084(3) 0.7895(19) 0.024 Uiso 1 1 d D U . . .
O10 O 0.25225(18) 0.7924(2) 0.76054(12) 0.0212(5) Uani 1 1 d . . . . .
O11 O 0.18213(18) 0.9555(2) 0.83647(13) 0.0229(5) Uani 1 1 d . . . . .
O12 O 0.31317(17) 0.8178(2) 0.88862(13) 0.0258(5) Uani 1 1 d . . . . .
O13 O 0.14828(16) 0.7341(2) 0.85974(13) 0.0197(5) Uani 1 1 d . . . . .
O14 O 0.97003(17) 0.9527(2) 0.61565(14) 0.0233(5) Uani 1 1 d . . . . .
O15 O 1.02014(17) 0.7899(2) 0.70502(13) 0.0229(5) Uani 1 1 d . . . . .
O16 O 0.90328(18) 0.7402(2) 0.60169(14) 0.0232(5) Uani 1 1 d . . . . .
O17 O 1.07623(19) 0.7790(2) 0.58168(15) 0.0288(6) Uani 1 1 d . . . . .
O18 O 0.41301(19) 0.4187(3) 0.93601(15) 0.0322(6) Uani 1 1 d . . . . .
O19 O 0.55795(17) 0.3582(2) 0.87310(13) 0.0246(5) Uani 1 1 d . . . . .
O20 O 0.53370(18) 0.2762(2) 0.99592(13) 0.0241(5) Uani 1 1 d . . . . .
O21 O 0.42991(18) 0.2030(2) 0.89020(14) 0.0250(5) Uani 1 1 d . . . . .
O22 O 0.24858(17) 0.8992(2) 0.49598(13) 0.0203(5) Uani 1 1 d D . . . .
H221 H 0.2004(19) 0.860(4) 0.469(2) 0.030 Uiso 1 1 d D U . . .
H222 H 0.3080(16) 0.864(4) 0.489(2) 0.030 Uiso 1 1 d D U . . .
C1 C 0.2403(2) 0.4465(3) 0.78804(16) 0.0148(6) Uani 1 1 d . . . . .
H1A H 0.2528 0.3775 0.8272 0.018 Uiso 1 1 calc R U . . .
H1B H 0.2074 0.5219 0.8119 0.018 Uiso 1 1 calc R U . . .
C2 C 0.3394(2) 0.4883(3) 0.75764(17) 0.0157(6) Uani 1 1 d . . . . .
H2A H 0.3280 0.5616 0.7212 0.019 Uiso 1 1 calc R U . . .
H2B H 0.3882 0.5172 0.7998 0.019 Uiso 1 1 calc R U . . .
C3 C 0.4656(2) 0.4071(3) 0.67715(18) 0.0187(6) Uani 1 1 d . . . . .
H3A H 0.5070 0.3275 0.6702 0.022 Uiso 1 1 calc R U . . .
H3B H 0.5091 0.4725 0.7055 0.022 Uiso 1 1 calc R U . . .
C4 C 0.4286(2) 0.4617(3) 0.60055(19) 0.0207(6) Uani 1 1 d . . . . .
H4A H 0.4017 0.5514 0.6064 0.025 Uiso 1 1 calc R U . . .
H4B H 0.4855 0.4654 0.5665 0.025 Uiso 1 1 calc R U . . .
C5 C 0.2907(2) 0.4358(3) 0.50442(17) 0.0195(6) Uani 1 1 d . . . . .
H5A H 0.2709 0.3683 0.4657 0.023 Uiso 1 1 calc R U . . .
H5B H 0.3324 0.5030 0.4804 0.023 Uiso 1 1 calc R U . . .
C6 C 0.1968(2) 0.4976(3) 0.53348(18) 0.0190(6) Uani 1 1 d . . . . .
H6A H 0.2160 0.5713 0.5682 0.023 Uiso 1 1 calc R U . . .
H6B H 0.1515 0.5312 0.4905 0.023 Uiso 1 1 calc R U . . .
C7 C 0.0634(2) 0.4465(3) 0.61583(18) 0.0159(6) Uani 1 1 d . . . . .
H7A H 0.0132 0.3760 0.6233 0.019 Uiso 1 1 calc R U . . .
H7B H 0.0280 0.5182 0.5868 0.019 Uiso 1 1 calc R U . . .
C8 C 0.1063(2) 0.4965(3) 0.69200(18) 0.0168(6) Uani 1 1 d . . . . .
H8A H 0.1439 0.5793 0.6855 0.020 Uiso 1 1 calc R U . . .
H8B H 0.0504 0.5132 0.7259 0.020 Uiso 1 1 calc R U . . .
Cl1 Cl 0.22429(5) 0.82430(6) 0.83634(4) 0.01204(13) Uani 1 1 d . . . . .
Cl2 Cl 0.99321(5) 0.81555(7) 0.62585(4) 0.01353(13) Uani 1 1 d . . . . .
Cl3 Cl 0.48310(5) 0.31473(7) 0.92369(4) 0.01380(14) Uani 1 1 d . . . . .


_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
Dy01 O6 2.317(2) . ?
Dy01 O9 2.335(2) . ?
Dy01 O5 2.343(2) . ?
Dy01 O8 2.378(2) . ?
Dy01 O7 2.435(2) . ?
Dy01 O1 2.4739(19) . ?
Dy01 O3 2.480(2) . ?
Dy01 O2 2.515(2) . ?
Dy01 O4 2.551(2) . ?
O1 C1 1.448(3) . ?
O1 C8 1.452(3) . ?
O2 C6 1.442(3) . ?
O2 C7 1.445(3) . ?
O3 C4 1.441(4) . ?
O3 C5 1.450(3) . ?
O4 C3 1.442(3) . ?
O4 C2 1.445(3) . ?
O10 Cl1 1.443(2) . ?
O11 Cl1 1.450(2) . ?
O12 Cl1 1.435(2) . ?
O13 Cl1 1.438(2) . ?
O14 Cl2 1.442(2) . ?
O15 Cl2 1.435(2) . ?
O16 Cl2 1.448(2) . ?
O17 Cl2 1.430(2) . ?
O18 Cl3 1.431(2) . ?
O19 Cl3 1.439(2) . ?
O20 Cl3 1.446(2) . ?
O21 Cl3 1.442(2) . ?
C1 C2 1.501(4) . ?
C3 C4 1.506(4) . ?
C5 C6 1.504(4) . ?
C7 C8 1.505(4) . ?

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
O6 Dy01 O9 140.67(8) . . ?
O6 Dy01 O5 87.59(8) . . ?
O9 Dy01 O5 80.98(8) . . ?
O6 Dy01 O8 82.12(8) . . ?
O9 Dy01 O8 83.35(8) . . ?
O5 Dy01 O8 140.64(7) . . ?
O6 Dy01 O7 69.72(7) . . ?
O9 Dy01 O7 70.99(7) . . ?
O5 Dy01 O7 70.36(7) . . ?
O8 Dy01 O7 70.42(7) . . ?
O6 Dy01 O1 131.30(7) . . ?
O9 Dy01 O1 78.91(7) . . ?
O5 Dy01 O1 69.20(7) . . ?
O8 Dy01 O1 141.64(7) . . ?
O7 Dy01 O1 132.44(7) . . ?
O6 Dy01 O3 78.04(8) . . ?
O9 Dy01 O3 129.38(7) . . ?
O5 Dy01 O3 144.66(7) . . ?
O8 Dy01 O3 69.48(7) . . ?
O7 Dy01 O3 131.05(7) . . ?
O1 Dy01 O3 96.51(7) . . ?
O6 Dy01 O2 69.92(7) . . ?
O9 Dy01 O2 142.62(7) . . ?
O5 Dy01 O2 79.90(7) . . ?
O8 Dy01 O2 130.09(7) . . ?
O7 Dy01 O2 130.12(7) . . ?
O1 Dy01 O2 64.33(7) . . ?
O3 Dy01 O2 64.88(6) . . ?
O6 Dy01 O4 140.91(7) . . ?
O9 Dy01 O4 69.10(7) . . ?
O5 Dy01 O4 128.61(7) . . ?
O8 Dy01 O4 77.16(7) . . ?
O7 Dy01 O4 130.61(7) . . ?
O1 Dy01 O4 64.80(6) . . ?
O3 Dy01 O4 63.78(7) . . ?
O2 Dy01 O4 99.25(7) . . ?
C1 O1 C8 112.2(2) . . ?
C1 O1 Dy01 115.65(16) . . ?
C8 O1 Dy01 122.39(16) . . ?
C6 O2 C7 112.7(2) . . ?
C6 O2 Dy01 119.33(16) . . ?
C7 O2 Dy01 112.79(16) . . ?
C4 O3 C5 112.4(2) . . ?
C4 O3 Dy01 123.29(17) . . ?
C5 O3 Dy01 114.98(16) . . ?
C3 O4 C2 112.3(2) . . ?
C3 O4 Dy01 112.84(17) . . ?
C2 O4 Dy01 117.75(16) . . ?
O1 C1 C2 108.1(2) . . ?
O4 C2 C1 106.4(2) . . ?
O4 C3 C4 109.3(2) . . ?
O3 C4 C3 107.8(2) . . ?
O3 C5 C6 108.1(2) . . ?
O2 C6 C5 106.5(2) . . ?
O2 C7 C8 109.1(2) . . ?
O1 C8 C7 107.4(2) . . ?
O12 Cl1 O13 109.66(14) . . ?
O12 Cl1 O10 109.48(14) . . ?
O13 Cl1 O10 110.16(14) . . ?
O12 Cl1 O11 109.56(15) . . ?
O13 Cl1 O11 108.63(13) . . ?
O10 Cl1 O11 109.35(13) . . ?
O17 Cl2 O15 109.41(15) . . ?
O17 Cl2 O14 110.37(15) . . ?
O15 Cl2 O14 109.48(14) . . ?
O17 Cl2 O16 109.75(15) . . ?
O15 Cl2 O16 109.18(14) . . ?
O14 Cl2 O16 108.62(13) . . ?
O18 Cl3 O19 109.71(16) . . ?
O18 Cl3 O21 110.55(16) . . ?
O19 Cl3 O21 108.90(15) . . ?
O18 Cl3 O20 109.28(15) . . ?
O19 Cl3 O20 109.53(14) . . ?
O21 Cl3 O20 108.85(14) . . ?

_refine_diff_density_max         0.452
_refine_diff_density_min         -1.060
_refine_diff_density_rms         0.134

_shelxl_version_number           2013-2



####################################################################### 
# 
# 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_twin5
_database_code_depnum_ccdc_archive 'CCDC 999654'
_audit_update_record             
;
2014-04-27 deposited with the CCDC.
2015-07-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C10 H26 Dy O9, C10 H20 O5, 3(Cl O4), H2 O'
_chemical_formula_sum            'C20 H48 Cl3 Dy O27'
_chemical_formula_weight         989.43

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'
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'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   15.8533(14)
_cell_length_b                   14.6908(14)
_cell_length_c                   16.4867(15)
_cell_angle_alpha                90
_cell_angle_beta                 99.409(4)
_cell_angle_gamma                90
_cell_volume                     3788.1(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9929
_cell_measurement_theta_min      2.39
_cell_measurement_theta_max      28.34

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.735
_exptl_crystal_F_000             2004
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_exptl_absorpt_coefficient_mu    2.278
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.646
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   Bruker-SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            7642
_diffrn_reflns_av_unetI/netI     0.0545
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.868
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.897
_diffrn_measured_fraction_theta_full 0.877
_diffrn_reflns_Laue_measured_fraction_max 0.897
_diffrn_reflns_Laue_measured_fraction_full 0.877
_diffrn_reflns_point_group_measured_fraction_max 0.897
_diffrn_reflns_point_group_measured_fraction_full 0.877
_reflns_number_total             7642
_reflns_number_gt                7364
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'


_refine_special_details          
;
 Refined as a 3-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0510P)²+31.2597P] 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     SHELXL
_refine_ls_extinction_coef       0.0028(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         7642
_refine_ls_number_parameters     458
_refine_ls_number_restraints     15
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0460
_refine_ls_wR_factor_ref         0.1394
_refine_ls_wR_factor_gt          0.1350
_refine_ls_goodness_of_fit_ref   1.233
_refine_ls_restrained_S_all      1.232
_refine_ls_shift/su_max          0.001
_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 0.19348(3) 0.77921(2) 0.04195(3) 0.01096(17) Uani 1 1 d . . . . .
O1 O 0.2486(5) 0.7818(4) 0.1937(5) 0.0173(18) Uani 1 1 d . . . . .
O2 O 0.2391(5) 0.6361(4) 0.1072(5) 0.0180(18) Uani 1 1 d . . . . .
O3 O 0.1202(5) 0.6387(4) -0.0185(5) 0.0172(17) Uani 1 1 d . . . . .
O4 O 0.0469(5) 0.8012(5) -0.0319(5) 0.0172(18) Uani 1 1 d . . . . .
O5 O 0.0826(5) 0.7820(4) 0.1292(4) 0.0163(17) Uani 1 1 d . . . . .
C1 C 0.2942(8) 0.7026(7) 0.2338(7) 0.0213(19) Uani 1 1 d . . . . .
H1A H 0.2577 0.6705 0.2679 0.026 Uiso 1 1 calc R U . . .
H1B H 0.3470 0.7226 0.2700 0.026 Uiso 1 1 calc R U . . .
C2 C 0.3160(8) 0.6404(7) 0.1686(7) 0.0213(19) Uani 1 1 d . . . . .
H2A H 0.3645 0.6649 0.1444 0.026 Uiso 1 1 calc R U . . .
H2B H 0.3315 0.5793 0.1914 0.026 Uiso 1 1 calc R U . . .
C3 C 0.2292(8) 0.5520(6) 0.0615(7) 0.020(3) Uani 1 1 d . . . . .
H3A H 0.2407 0.4994 0.0992 0.024 Uiso 1 1 calc R U . . .
H3B H 0.2696 0.5498 0.0217 0.024 Uiso 1 1 calc R U . . .
C4 C 0.1386(8) 0.5493(7) 0.0172(7) 0.023(3) Uani 1 1 d . . . . .
C5 C 0.0348(7) 0.6415(7) -0.0660(7) 0.022(2) Uani 1 1 d . . . . .
H5A H -0.0082 0.6263 -0.0308 0.026 Uiso 1 1 calc R U . . .
H5B H 0.0295 0.5974 -0.1119 0.026 Uiso 1 1 calc R U . . .
C6 C 0.0219(7) 0.7378(7) -0.0985(7) 0.022(2) Uani 1 1 d . . . . .
H6A H 0.0568 0.7480 -0.1422 0.026 Uiso 1 1 calc R U . . .
H6B H -0.0389 0.7473 -0.1223 0.026 Uiso 1 1 calc R U . . .
C7 C -0.0179(7) 0.8269(7) 0.0158(7) 0.0211(19) Uani 1 1 d . . . . .
H7A H -0.0752 0.8135 -0.0159 0.025 Uiso 1 1 calc R U . . .
H7B H -0.0145 0.8931 0.0268 0.025 Uiso 1 1 calc R U . . .
C8 C -0.0065(7) 0.7756(7) 0.0966(8) 0.0211(19) Uani 1 1 d . . . . .
H8A H -0.0413 0.8035 0.1347 0.025 Uiso 1 1 calc R U . . .
H8B H -0.0238 0.7112 0.0875 0.025 Uiso 1 1 calc R U . . .
C9 C 0.1042(8) 0.7701(7) 0.2172(7) 0.022(3) Uani 1 1 d . . . . .
H9A H 0.1099 0.7046 0.2310 0.027 Uiso 1 1 calc R U . . .
H9B H 0.0589 0.7963 0.2449 0.027 Uiso 1 1 calc R U . . .
O6 O 0.3331(5) 0.8355(5) 0.0741(5) 0.0160(17) Uani 1 1 d D . . . .
H6C H 0.371(5) 0.861(7) 0.040(4) 0.019 Uiso 1 1 d D U . . .
H6D H 0.360(6) 0.847(7) 0.130(2) 0.019 Uiso 1 1 d D U . . .
O7 O 0.2816(5) 0.7089(4) -0.0444(5) 0.0131(15) Uani 1 1 d D . . . .
H7C H 0.262(5) 0.700(7) -0.103(2) 0.016 Uiso 1 1 d D U . . .
H7D H 0.3435(16) 0.704(7) -0.038(6) 0.016 Uiso 1 1 d D U . . .
O8 O 0.1959(5) 0.8647(4) -0.0798(5) 0.0173(18) Uani 1 1 d D . . . .
H8C H 0.151(4) 0.903(6) -0.108(5) 0.021 Uiso 1 1 d D U . . .
H8D H 0.236(5) 0.858(7) -0.118(5) 0.021 Uiso 1 1 d D U . . .
O9 O 0.1700(5) 0.9321(4) 0.0722(5) 0.0174(17) Uani 1 1 d D . . . .
H9C H 0.136(5) 0.965(5) 0.106(6) 0.021 Uiso 1 1 d D U . . .
H9D H 0.218(4) 0.971(5) 0.066(6) 0.021 Uiso 1 1 d D U . . .
C10 C 0.1877(8) 0.8185(7) 0.2445(7) 0.019(3) Uani 1 1 d . . . . .
H10A H 0.1806 0.8849 0.2361 0.023 Uiso 1 1 calc R U . . .
H10B H 0.2086 0.8069 0.3035 0.023 Uiso 1 1 calc R U . . .
O10 O 0.4564(5) 0.6735(5) -0.0057(5) 0.025(2) Uani 1 1 d . . . . .
O11 O 0.3679(5) 0.6030(5) -0.1609(5) 0.026(2) Uani 1 1 d . . . . .
C11 C 0.5197(8) 0.8231(9) -0.0201(8) 0.031(2) Uani 1 1 d . . . . .
H11A H 0.5657 0.8646 0.0054 0.037 Uiso 1 1 calc R U . . .
H11B H 0.5323 0.8041 -0.0745 0.037 Uiso 1 1 calc R U . . .
O12 O 0.2134(5) 0.6909(5) -0.2171(5) 0.028(2) Uani 1 1 d . . . . .
C12 C 0.5158(8) 0.7414(9) 0.0335(8) 0.031(2) Uani 1 1 d . . . . .
H12A H 0.5735 0.7140 0.0468 0.037 Uiso 1 1 calc R U . . .
H12B H 0.4981 0.7606 0.0858 0.037 Uiso 1 1 calc R U . . .
O13 O 0.3161(5) 0.8598(5) -0.1845(5) 0.024(2) Uani 1 1 d . . . . .
C13 C 0.4932(9) 0.6156(8) -0.0607(8) 0.031(2) Uani 1 1 d . . . . .
H13A H 0.5411 0.5801 -0.0300 0.037 Uiso 1 1 calc R U . . .
H13B H 0.5152 0.6525 -0.1030 0.037 Uiso 1 1 calc R U . . .
O14 O 0.4384(5) 0.8692(5) -0.0298(5) 0.028(2) Uani 1 1 d . . . . .
C14 C 0.4241(9) 0.5534(8) -0.1001(8) 0.031(2) Uani 1 1 d . . . . .
H14A H 0.4493 0.5015 -0.1260 0.037 Uiso 1 1 calc R U . . .
H14B H 0.3919 0.5293 -0.0581 0.037 Uiso 1 1 calc R U . . .
C15 C 0.2950(10) 0.5521(8) -0.1969(9) 0.041(3) Uani 1 1 d . . . . .
H15A H 0.2616 0.5323 -0.1543 0.049 Uiso 1 1 calc R U . . .
H15B H 0.3126 0.4975 -0.2252 0.049 Uiso 1 1 calc R U . . .
C16 C 0.2429(10) 0.6149(8) -0.2574(9) 0.041(3) Uani 1 1 d . . . . .
H16A H 0.2783 0.6364 -0.2978 0.049 Uiso 1 1 calc R U . . .
H16B H 0.1934 0.5814 -0.2876 0.049 Uiso 1 1 calc R U . . .
C17 C 0.2066(9) 0.7712(8) -0.2684(8) 0.028(3) Uani 1 1 d . . . . .
H17A H 0.1644 0.8135 -0.2509 0.034 Uiso 1 1 calc R U . . .
H17B H 0.1858 0.7537 -0.3262 0.034 Uiso 1 1 calc R U . . .
C18 C 0.2917(8) 0.8187(8) -0.2628(7) 0.026(3) Uani 1 1 d . . . . .
H18A H 0.3358 0.7740 -0.2724 0.031 Uiso 1 1 calc R U . . .
H18B H 0.2880 0.8659 -0.3061 0.031 Uiso 1 1 calc R U . . .
C19 C 0.4010(7) 0.8982(7) -0.1763(8) 0.024(3) Uani 1 1 d . . . . .
H19A H 0.4022 0.9464 -0.2180 0.028 Uiso 1 1 calc R U . . .
H19B H 0.4423 0.8503 -0.1855 0.028 Uiso 1 1 calc R U . . .
C20 C 0.4256(8) 0.9374(7) -0.0922(7) 0.023(3) Uani 1 1 d . . . . .
H20A H 0.4789 0.9730 -0.0902 0.028 Uiso 1 1 calc R U . . .
H20B H 0.3802 0.9796 -0.0810 0.028 Uiso 1 1 calc R U . . .
Cl2 Cl 0.75657(18) 0.69902(15) 0.99568(17) 0.0162(6) Uani 1 1 d . . . . .
O21 O 0.7260(6) 0.6239(5) 1.0388(5) 0.0272(19) Uani 1 1 d . . . . .
O22 O 0.7860(6) 0.7700(5) 1.0530(5) 0.028(2) Uani 1 1 d . . . . .
O23 O 0.6881(6) 0.7343(5) 0.9362(5) 0.029(2) Uani 1 1 d . . . . .
O24 O 0.8254(5) 0.6699(5) 0.9542(5) 0.030(2) Uani 1 1 d . . . . .
Cl3 Cl 0.49935(18) 0.53034(17) 0.30516(17) 0.0219(7) Uani 1 1 d . . . . .
O31 O 0.4347(5) 0.5526(5) 0.3553(5) 0.030(2) Uani 1 1 d . . . . .
O32 O 0.5195(5) 0.6095(5) 0.2615(5) 0.030(2) Uani 1 1 d . . . . .
O33 O 0.4684(5) 0.4596(5) 0.2489(5) 0.033(2) Uani 1 1 d . . . . .
O34 O 0.5760(6) 0.4983(5) 0.3572(6) 0.037(2) Uani 1 1 d . . . . .
Cl4 Cl 0.39954(19) 0.00153(16) 0.24139(18) 0.0218(6) Uani 1 1 d . . . . .
O41 O 0.4287(6) -0.0853(6) 0.2170(6) 0.044(3) Uani 1 1 d . . . . .
O42 O 0.3186(6) -0.0075(7) 0.2657(7) 0.052(3) Uani 1 1 d . . . . .
O43 O 0.4612(5) 0.0371(5) 0.3076(5) 0.031(2) Uani 1 1 d . . . . .
O44 O 0.3949(6) 0.0640(6) 0.1732(5) 0.042(3) Uani 1 1 d . . . . .
O1S O 0.2753(5) 1.0552(5) 0.0217(6) 0.028(2) Uani 1 1 d D . . . .
H1SA H 0.317(6) 1.079(6) 0.066(5) 0.033 Uiso 1 1 d D U . . .
H1SB H 0.245(6) 1.107(4) -0.005(5) 0.033 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 O6 2.341(7) . ?
Dy1 O9 2.344(6) . ?
Dy1 O8 2.374(7) . ?
Dy1 O7 2.386(7) . ?
Dy1 O2 2.418(7) . ?
Dy1 O5 2.447(8) . ?
Dy1 O4 2.462(7) . ?
Dy1 O3 2.495(6) . ?
Dy1 O1 2.512(8) . ?
O1 C10 1.479(14) . ?
O1 C1 1.468(12) . ?
O2 C3 1.441(12) . ?
O2 C2 1.453(12) . ?
O3 C5 1.449(12) . ?
O3 C4 1.450(11) . ?
O4 C7 1.443(14) . ?
O4 C6 1.445(12) . ?
O5 C8 1.430(13) . ?
O5 C9 1.445(13) . ?
C1 C2 1.494(16) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.502(15) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C5 C6 1.515(14) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.515(16) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.505(16) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
O6 H6C 0.97(2) . ?
O6 H6D 0.97(2) . ?
O7 H7C 0.98(2) . ?
O7 H7D 0.97(2) . ?
O8 H8C 0.97(2) . ?
O8 H8D 0.97(2) . ?
O9 H9C 0.97(2) . ?
O9 H9D 0.97(2) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
O10 C13 1.435(14) . ?
O10 C12 1.449(15) . ?
O11 C14 1.427(14) . ?
O11 C15 1.422(15) . ?
C11 O14 1.440(15) . ?
C11 C12 1.499(18) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
O12 C16 1.416(15) . ?
O12 C17 1.445(14) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
O13 C18 1.421(14) . ?
O13 C19 1.444(14) . ?
C13 C14 1.492(18) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
O14 C20 1.427(14) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.50(2) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.509(18) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.493(17) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
Cl2 O22 1.433(8) . ?
Cl2 O23 1.436(9) . ?
Cl2 O24 1.443(8) . ?
Cl2 O21 1.439(7) . ?
Cl3 O33 1.426(8) . ?
Cl3 O32 1.432(7) . ?
Cl3 O34 1.447(9) . ?
Cl3 O31 1.455(8) . ?
Cl4 O42 1.413(10) . ?
Cl4 O41 1.436(8) . ?
Cl4 O43 1.439(8) . ?
Cl4 O44 1.443(9) . ?
O1S H1SA 0.97(2) . ?
O1S H1SB 0.96(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
O6 Dy1 O9 77.9(3) . . ?
O6 Dy1 O8 81.9(3) . . ?
O9 Dy1 O8 72.4(3) . . ?
O6 Dy1 O7 70.3(3) . . ?
O9 Dy1 O7 132.1(2) . . ?
O8 Dy1 O7 68.4(2) . . ?
O6 Dy1 O2 90.2(3) . . ?
O9 Dy1 O2 141.7(3) . . ?
O8 Dy1 O2 142.3(3) . . ?
O7 Dy1 O2 74.2(3) . . ?
O6 Dy1 O5 127.2(3) . . ?
O9 Dy1 O5 72.8(2) . . ?
O8 Dy1 O5 127.0(2) . . ?
O7 Dy1 O5 154.8(2) . . ?
O2 Dy1 O5 86.8(2) . . ?
O6 Dy1 O4 147.9(3) . . ?
O9 Dy1 O4 79.0(3) . . ?
O8 Dy1 O4 69.9(3) . . ?
O7 Dy1 O4 111.1(3) . . ?
O2 Dy1 O4 121.6(2) . . ?
O5 Dy1 O4 65.0(3) . . ?
O6 Dy1 O3 138.0(3) . . ?
O9 Dy1 O3 142.9(3) . . ?
O8 Dy1 O3 99.8(2) . . ?
O7 Dy1 O3 71.5(2) . . ?
O2 Dy1 O3 62.9(2) . . ?
O5 Dy1 O3 85.2(2) . . ?
O4 Dy1 O3 64.6(2) . . ?
O6 Dy1 O1 66.9(3) . . ?
O9 Dy1 O1 79.3(2) . . ?
O8 Dy1 O1 141.6(2) . . ?
O7 Dy1 O1 117.3(3) . . ?
O2 Dy1 O1 62.6(2) . . ?
O5 Dy1 O1 65.2(3) . . ?
O4 Dy1 O1 129.6(2) . . ?
O3 Dy1 O1 118.3(2) . . ?
C10 O1 C1 110.7(8) . . ?
C10 O1 Dy1 114.6(6) . . ?
C1 O1 Dy1 120.1(6) . . ?
C3 O2 C2 114.1(7) . . ?
C3 O2 Dy1 120.9(6) . . ?
C2 O2 Dy1 115.3(5) . . ?
C5 O3 C4 110.6(8) . . ?
C5 O3 Dy1 121.7(5) . . ?
C4 O3 Dy1 122.5(6) . . ?
C7 O4 C6 116.8(9) . . ?
C7 O4 Dy1 117.6(6) . . ?
C6 O4 Dy1 114.3(6) . . ?
C8 O5 C9 115.3(8) . . ?
C8 O5 Dy1 122.5(6) . . ?
C9 O5 Dy1 120.9(6) . . ?
O1 C1 C2 108.4(9) . . ?
O1 C1 H1A 110.0 . . ?
C2 C1 H1A 110.0 . . ?
O1 C1 H1B 110.0 . . ?
C2 C1 H1B 110.0 . . ?
H1A C1 H1B 108.4 . . ?
O2 C2 C1 105.2(9) . . ?
O2 C2 H2A 110.7 . . ?
C1 C2 H2A 110.7 . . ?
O2 C2 H2B 110.7 . . ?
C1 C2 H2B 110.7 . . ?
H2A C2 H2B 108.8 . . ?
O2 C3 C4 106.9(9) . . ?
O2 C3 H3A 110.3 . . ?
C4 C3 H3A 110.3 . . ?
O2 C3 H3B 110.3 . . ?
C4 C3 H3B 110.3 . . ?
H3A C3 H3B 108.6 . . ?
O3 C4 C3 106.6(9) . . ?
O3 C5 C6 106.1(8) . . ?
O3 C5 H5A 110.5 . . ?
C6 C5 H5A 110.5 . . ?
O3 C5 H5B 110.5 . . ?
C6 C5 H5B 110.5 . . ?
H5A C5 H5B 108.7 . . ?
O4 C6 C5 109.2(9) . . ?
O4 C6 H6A 109.8 . . ?
C5 C6 H6A 109.8 . . ?
O4 C6 H6B 109.8 . . ?
C5 C6 H6B 109.8 . . ?
H6A C6 H6B 108.3 . . ?
O4 C7 C8 110.8(9) . . ?
O4 C7 H7A 109.5 . . ?
C8 C7 H7A 109.5 . . ?
O4 C7 H7B 109.5 . . ?
C8 C7 H7B 109.5 . . ?
H7A C7 H7B 108.1 . . ?
O5 C8 C7 105.5(9) . . ?
O5 C8 H8A 110.6 . . ?
C7 C8 H8A 110.6 . . ?
O5 C8 H8B 110.6 . . ?
C7 C8 H8B 110.6 . . ?
H8A C8 H8B 108.8 . . ?
O5 C9 C10 107.2(9) . . ?
O5 C9 H9A 110.3 . . ?
C10 C9 H9A 110.3 . . ?
O5 C9 H9B 110.3 . . ?
C10 C9 H9B 110.3 . . ?
H9A C9 H9B 108.5 . . ?
Dy1 O6 H6C 131(5) . . ?
Dy1 O6 H6D 122(5) . . ?
H6C O6 H6D 106(3) . . ?
Dy1 O7 H7C 122(5) . . ?
Dy1 O7 H7D 130(5) . . ?
H7C O7 H7D 105(3) . . ?
Dy1 O8 H8C 127(5) . . ?
Dy1 O8 H8D 127(5) . . ?
H8C O8 H8D 106(3) . . ?
Dy1 O9 H9C 137(5) . . ?
Dy1 O9 H9D 113(5) . . ?
H9C O9 H9D 106(3) . . ?
O1 C10 C9 106.4(9) . . ?
O1 C10 H10A 110.4 . . ?
C9 C10 H10A 110.4 . . ?
O1 C10 H10B 110.4 . . ?
C9 C10 H10B 110.4 . . ?
H10A C10 H10B 108.6 . . ?
C13 O10 C12 112.8(10) . . ?
C14 O11 C15 113.3(9) . . ?
O14 C11 C12 108.6(11) . . ?
O14 C11 H11A 110.0 . . ?
C12 C11 H11A 110.0 . . ?
O14 C11 H11B 110.0 . . ?
C12 C11 H11B 110.0 . . ?
H11A C11 H11B 108.3 . . ?
C16 O12 C17 111.6(10) . . ?
O10 C12 C11 112.0(10) . . ?
O10 C12 H12A 109.2 . . ?
C11 C12 H12A 109.2 . . ?
O10 C12 H12B 109.2 . . ?
C11 C12 H12B 109.2 . . ?
H12A C12 H12B 107.9 . . ?
C18 O13 C19 111.2(9) . . ?
O10 C13 C14 107.0(10) . . ?
O10 C13 H13A 110.3 . . ?
C14 C13 H13A 110.3 . . ?
O10 C13 H13B 110.3 . . ?
C14 C13 H13B 110.3 . . ?
H13A C13 H13B 108.6 . . ?
C20 O14 C11 115.4(10) . . ?
O11 C14 C13 108.9(9) . . ?
O11 C14 H14A 109.9 . . ?
C13 C14 H14A 109.9 . . ?
O11 C14 H14B 109.9 . . ?
C13 C14 H14B 109.9 . . ?
H14A C14 H14B 108.3 . . ?
O11 C15 C16 105.9(10) . . ?
O11 C15 H15A 110.6 . . ?
C16 C15 H15A 110.6 . . ?
O11 C15 H15B 110.6 . . ?
C16 C15 H15B 110.6 . . ?
H15A C15 H15B 108.7 . . ?
O12 C16 C15 111.1(11) . . ?
O12 C16 H16A 109.4 . . ?
C15 C16 H16A 109.4 . . ?
O12 C16 H16B 109.4 . . ?
C15 C16 H16B 109.4 . . ?
H16A C16 H16B 108.0 . . ?
O12 C17 C18 111.1(10) . . ?
O12 C17 H17A 109.4 . . ?
C18 C17 H17A 109.4 . . ?
O12 C17 H17B 109.4 . . ?
C18 C17 H17B 109.4 . . ?
H17A C17 H17B 108.0 . . ?
O13 C18 C17 111.1(10) . . ?
O13 C18 H18A 109.4 . . ?
C17 C18 H18A 109.4 . . ?
O13 C18 H18B 109.4 . . ?
C17 C18 H18B 109.4 . . ?
H18A C18 H18B 108.0 . . ?
O13 C19 C20 109.7(9) . . ?
O13 C19 H19A 109.7 . . ?
C20 C19 H19A 109.7 . . ?
O13 C19 H19B 109.7 . . ?
C20 C19 H19B 109.7 . . ?
H19A C19 H19B 108.2 . . ?
O14 C20 C19 112.5(9) . . ?
O14 C20 H20A 109.1 . . ?
C19 C20 H20A 109.1 . . ?
O14 C20 H20B 109.1 . . ?
C19 C20 H20B 109.1 . . ?
H20A C20 H20B 107.8 . . ?
O22 Cl2 O23 108.4(5) . . ?
O22 Cl2 O24 109.7(5) . . ?
O23 Cl2 O24 109.2(5) . . ?
O22 Cl2 O21 109.4(5) . . ?
O23 Cl2 O21 109.6(5) . . ?
O24 Cl2 O21 110.4(4) . . ?
O33 Cl3 O32 110.3(5) . . ?
O33 Cl3 O34 108.3(5) . . ?
O32 Cl3 O34 109.1(5) . . ?
O33 Cl3 O31 109.5(5) . . ?
O32 Cl3 O31 109.8(5) . . ?
O34 Cl3 O31 109.8(6) . . ?
O42 Cl4 O41 110.2(6) . . ?
O42 Cl4 O43 110.8(6) . . ?
O41 Cl4 O43 109.0(5) . . ?
O42 Cl4 O44 110.3(7) . . ?
O41 Cl4 O44 108.9(6) . . ?
O43 Cl4 O44 107.6(5) . . ?
H1SA O1S H1SB 107(3) . . ?

_refine_diff_density_max         1.245
_refine_diff_density_min         -0.952
_refine_diff_density_rms         0.259

_shelxl_version_number           2013-3



