# 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_dy
_database_code_depnum_ccdc_archive 'CCDC 1479827'
_audit_update_record             
;
2016-05-14 deposited with the CCDC.
2016-12-05 downloaded from the CCDC.
;
_audit_creation_date             2016-05-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C66 H62 Dy2 N4 O12, 2(C4 H9 N O), 2(C2 H3 N)'
_chemical_formula_sum            'C78 H86 Dy2 N8 O14'
_chemical_formula_weight         1684.54
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C78 H86 Dy2 N8 O14'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   17.2155(6)
_cell_length_b                   12.4815(4)
_cell_length_c                   17.6745(6)
_cell_angle_alpha                90
_cell_angle_beta                 106.805(4)
_cell_angle_gamma                90
_cell_volume                     3635.6(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6159
_cell_measurement_temperature    100.06(13)
_cell_measurement_theta_max      28.7240
_cell_measurement_theta_min      3.8300
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.110
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.75918
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1708
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0477
_diffrn_reflns_av_unetI/netI     0.0808
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.824
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            16724
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.824
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         29.342
_diffrn_reflns_theta_min         3.457
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.06(13)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0714
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.824
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -21.00   78.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8601   19.0000  -30.0000 99

#__ type_ start__ end____ width___ exp.time_
  2 omega   14.00   81.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8601   19.0000   60.0000 67

#__ type_ start__ end____ width___ exp.time_
  3 omega   66.00   92.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8601  178.0000   90.0000 26

#__ type_ start__ end____ width___ exp.time_
  4 omega  -88.00  -49.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663 -178.0000  -30.0000 39
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0232515000
_diffrn_orient_matrix_UB_12      0.0451244000
_diffrn_orient_matrix_UB_13      -0.0176408000
_diffrn_orient_matrix_UB_21      0.0317352000
_diffrn_orient_matrix_UB_22      0.0164120000
_diffrn_orient_matrix_UB_23      -0.0156010000
_diffrn_orient_matrix_UB_31      -0.0175159000
_diffrn_orient_matrix_UB_32      -0.0303355000
_diffrn_orient_matrix_UB_33      -0.0346861000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6341
_reflns_number_total             8225
_reflns_odcompleteness_completeness 99.68
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.754
_refine_diff_density_min         -0.915
_refine_diff_density_rms         0.147
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     468
_refine_ls_number_reflns         8225
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0655
_refine_ls_R_factor_gt           0.0468
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0350P)²+3.9607P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0984
_refine_ls_wR_factor_ref         0.1111
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C10(H10), C11(H11), C12(H12),
 C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C22(H22), C25(H25), C26(H26),
  C27(H27), C28(H28), C29(H29)
2.b Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,
 H33C), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C37(H37A,H37B,H37C), C38(H38A,
 H38B,H38C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.56792(2) 0.52977(2) 0.43647(2) 0.01926(8) Uani 1 1 d . . . . .
O1 O 0.47809(18) 0.4007(3) 0.45943(17) 0.0204(7) Uani 1 1 d . . . . .
O2 O 0.6311(2) 0.5854(3) 0.3496(2) 0.0360(9) Uani 1 1 d . . . . .
O3 O 0.4276(2) 0.2667(3) 0.5490(2) 0.0333(9) Uani 1 1 d . . . . .
O4 O 0.6474(2) 0.3791(3) 0.47306(19) 0.0252(8) Uani 1 1 d . . . . .
O5 O 0.6893(2) 0.5776(3) 0.52847(19) 0.0289(8) Uani 1 1 d . . . . .
O6 O 0.44284(19) 0.6022(3) 0.35932(18) 0.0244(8) Uani 1 1 d . . . . .
N1 N 0.5324(3) 0.4177(4) 0.3149(2) 0.0304(10) Uani 1 1 d . . . . .
N2 N 0.3228(3) 0.6838(5) 0.3138(3) 0.0508(15) Uani 1 1 d . . . . .
C1 C 0.4761(3) 0.2629(4) 0.3610(3) 0.0246(11) Uani 1 1 d . . . . .
C2 C 0.4646(3) 0.3003(4) 0.4331(3) 0.0209(10) Uani 1 1 d . . . . .
C3 C 0.4378(3) 0.2237(4) 0.4784(3) 0.0245(11) Uani 1 1 d . . . . .
C4 C 0.4240(3) 0.1190(4) 0.4570(3) 0.0329(13) Uani 1 1 d . . . . .
H4 H 0.4067 0.0716 0.4893 0.039 Uiso 1 1 calc R . . . .
C5 C 0.4359(3) 0.0836(5) 0.3877(3) 0.0385(14) Uani 1 1 d . . . . .
H5 H 0.4276 0.0118 0.3736 0.046 Uiso 1 1 calc R . . . .
C6 C 0.4599(3) 0.1535(5) 0.3393(3) 0.0341(14) Uani 1 1 d . . . . .
H6 H 0.4658 0.1292 0.2915 0.041 Uiso 1 1 calc R . . . .
C7 C 0.5022(3) 0.3255(5) 0.3053(3) 0.0322(12) Uani 1 1 d . . . . .
H7 H 0.4960 0.2943 0.2561 0.039 Uiso 1 1 calc R . . . .
C8 C 0.5578(3) 0.4668(5) 0.2511(3) 0.0337(13) Uani 1 1 d . . . . .
C9 C 0.5350(4) 0.4361(6) 0.1728(3) 0.0451(16) Uani 1 1 d . . . . .
H9 H 0.5000 0.3784 0.1566 0.054 Uiso 1 1 calc R . . . .
C10 C 0.5638(4) 0.4909(6) 0.1177(3) 0.0475(17) Uani 1 1 d . . . . .
H10 H 0.5498 0.4678 0.0655 0.057 Uiso 1 1 calc R . . . .
C11 C 0.6130(4) 0.5795(6) 0.1405(3) 0.0473(16) Uani 1 1 d . . . . .
H11 H 0.6306 0.6166 0.1029 0.057 Uiso 1 1 calc R . . . .
C12 C 0.6372(3) 0.6146(5) 0.2189(3) 0.0371(14) Uani 1 1 d . . . . .
H12 H 0.6707 0.6742 0.2336 0.045 Uiso 1 1 calc R . . . .
C13 C 0.6093(3) 0.5570(5) 0.2760(3) 0.0329(13) Uani 1 1 d . . . . .
C14 C 0.4013(4) 0.1947(5) 0.5997(3) 0.0431(15) Uani 1 1 d . . . . .
H14A H 0.3955 0.2332 0.6448 0.065 Uiso 1 1 calc GR . . . .
H14B H 0.4408 0.1388 0.6170 0.065 Uiso 1 1 calc GR . . . .
H14C H 0.3501 0.1638 0.5713 0.065 Uiso 1 1 calc GR . . . .
C15 C 0.6875(3) 0.1748(5) 0.4493(3) 0.0322(12) Uani 1 1 d . . . . .
H15 H 0.6400 0.2044 0.4167 0.039 Uiso 1 1 calc R . . . .
C16 C 0.7032(4) 0.0680(5) 0.4428(3) 0.0385(14) Uani 1 1 d . . . . .
H16 H 0.6669 0.0262 0.4051 0.046 Uiso 1 1 calc R . . . .
C17 C 0.7729(4) 0.0220(5) 0.4923(4) 0.0426(15) Uani 1 1 d . . . . .
H17 H 0.7829 -0.0506 0.4881 0.051 Uiso 1 1 calc R . . . .
C18 C 0.8270(4) 0.0836(5) 0.5473(4) 0.0431(15) Uani 1 1 d . . . . .
H18 H 0.8730 0.0523 0.5811 0.052 Uiso 1 1 calc R . . . .
C19 C 0.8131(3) 0.1934(5) 0.5527(3) 0.0320(12) Uani 1 1 d . . . . .
H19 H 0.8511 0.2357 0.5883 0.038 Uiso 1 1 calc R . . . .
C20 C 0.7417(3) 0.2394(4) 0.5042(3) 0.0256(11) Uani 1 1 d . . . . .
C21 C 0.7207(3) 0.3561(4) 0.5091(3) 0.0250(11) Uani 1 1 d . . . . .
C22 C 0.7785(3) 0.4294(4) 0.5497(3) 0.0257(11) Uani 1 1 d . . . . .
H22 H 0.8315 0.4063 0.5723 0.031 Uiso 1 1 calc R . . . .
C23 C 0.7592(3) 0.5370(4) 0.5576(3) 0.0234(11) Uani 1 1 d . . . . .
C24 C 0.8236(3) 0.6147(5) 0.6032(3) 0.0275(12) Uani 1 1 d . . . . .
C25 C 0.9014(3) 0.5819(5) 0.6468(3) 0.0328(13) Uani 1 1 d . . . . .
H25 H 0.9148 0.5095 0.6498 0.039 Uiso 1 1 calc R . . . .
C26 C 0.9585(3) 0.6569(5) 0.6856(3) 0.0417(15) Uani 1 1 d . . . . .
H26 H 1.0098 0.6347 0.7151 0.050 Uiso 1 1 calc R . . . .
C27 C 0.9391(4) 0.7657(5) 0.6805(3) 0.0403(15) Uani 1 1 d . . . . .
H27 H 0.9777 0.8161 0.7056 0.048 Uiso 1 1 calc R . . . .
C28 C 0.8624(4) 0.7981(5) 0.6382(3) 0.0366(13) Uani 1 1 d . . . . .
H28 H 0.8493 0.8705 0.6352 0.044 Uiso 1 1 calc R . . . .
C29 C 0.8048(3) 0.7241(5) 0.6002(3) 0.0313(12) Uani 1 1 d . . . . .
H29 H 0.7530 0.7470 0.5723 0.038 Uiso 1 1 calc R . . . .
C30 C 0.3679(4) 0.6028(6) 0.3245(3) 0.0452(17) Uani 1 1 d . . . . .
C31 C 0.2378(3) 0.6887(6) 0.2676(3) 0.0455(16) Uani 1 1 d . . . . .
H31A H 0.2163 0.6174 0.2581 0.068 Uiso 1 1 calc GR . . . .
H31B H 0.2333 0.7234 0.2181 0.068 Uiso 1 1 calc GR . . . .
H31C H 0.2078 0.7286 0.2963 0.068 Uiso 1 1 calc GR . . . .
C32 C 0.3650(4) 0.7863(5) 0.3498(3) 0.0412(15) Uani 1 1 d . . . . .
H32A H 0.4142 0.7691 0.3900 0.062 Uiso 1 1 calc GR . . . .
H32B H 0.3298 0.8264 0.3727 0.062 Uiso 1 1 calc GR . . . .
H32C H 0.3775 0.8284 0.3094 0.062 Uiso 1 1 calc GR . . . .
C33 C 0.3255(4) 0.4959(5) 0.2874(3) 0.0388(14) Uani 1 1 d . . . . .
H33A H 0.3278 0.4897 0.2339 0.058 Uiso 1 1 calc GR . . . .
H33B H 0.2699 0.4965 0.2879 0.058 Uiso 1 1 calc GR . . . .
H33C H 0.3530 0.4361 0.3177 0.058 Uiso 1 1 calc GR . . . .
O7 O 0.4849(2) 0.1566(3) 0.1434(2) 0.0406(10) Uani 1 1 d . . . . .
N3 N 0.6120(4) 0.1788(6) 0.1392(3) 0.0705(19) Uani 1 1 d . . . . .
C34 C 0.5343(4) 0.1694(6) 0.1046(4) 0.0532(18) Uani 1 1 d . . . . .
C35 C 0.6400(4) 0.1775(7) 0.2264(3) 0.064(2) Uani 1 1 d . . . . .
H35A H 0.6013 0.1395 0.2460 0.096 Uiso 1 1 calc GR . . . .
H35B H 0.6450 0.2497 0.2459 0.096 Uiso 1 1 calc GR . . . .
H35C H 0.6917 0.1424 0.2439 0.096 Uiso 1 1 calc GR . . . .
C36 C 0.6715(4) 0.2151(8) 0.0976(4) 0.082(3) Uani 1 1 d . . . . .
H36A H 0.6935 0.2833 0.1182 0.123 Uiso 1 1 calc GR . . . .
H36B H 0.6447 0.2216 0.0420 0.123 Uiso 1 1 calc GR . . . .
H36C H 0.7146 0.1636 0.1057 0.123 Uiso 1 1 calc GR . . . .
C37 C 0.5051(4) 0.1781(8) 0.0138(3) 0.073(3) Uani 1 1 d . . . . .
H37A H 0.5202 0.2467 -0.0021 0.110 Uiso 1 1 calc GR . . . .
H37B H 0.4471 0.1706 -0.0041 0.110 Uiso 1 1 calc GR . . . .
H37C H 0.5296 0.1224 -0.0089 0.110 Uiso 1 1 calc GR . . . .
N4 N 0.8177(5) 0.4056(6) 0.2211(4) 0.089(2) Uani 1 1 d . . . . .
C38 C 0.7908(5) 0.4136(8) 0.3562(4) 0.083(3) Uani 1 1 d . . . . .
H38A H 0.7381 0.4436 0.3509 0.124 Uiso 1 1 calc GR . . . .
H38B H 0.8315 0.4574 0.3912 0.124 Uiso 1 1 calc GR . . . .
H38C H 0.7933 0.3425 0.3775 0.124 Uiso 1 1 calc GR . . . .
C39 C 0.8050(5) 0.4095(6) 0.2799(4) 0.061(2) 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
Dy1 Dy1 3.7549(4) 3_666 ?
Dy1 O1 2.368(3) 3_666 ?
Dy1 O1 2.348(3) . ?
Dy1 O2 2.233(3) . ?
Dy1 O3 2.553(4) 3_666 ?
Dy1 O4 2.305(3) . ?
Dy1 O5 2.324(3) . ?
Dy1 O6 2.370(3) . ?
Dy1 N1 2.488(4) . ?
O1 Dy1 2.368(3) 3_666 ?
O1 C2 1.333(5) . ?
O2 C13 1.294(6) . ?
O3 Dy1 2.553(4) 3_666 ?
O3 C3 1.414(6) . ?
O3 C14 1.431(6) . ?
O4 C21 1.271(6) . ?
O5 C23 1.269(6) . ?
O6 C30 1.259(7) . ?
N1 C7 1.254(7) . ?
N1 C8 1.457(7) . ?
N2 C30 1.255(8) . ?
N2 C31 1.457(7) . ?
N2 C32 1.517(8) . ?
C1 C2 1.424(6) . ?
C1 C6 1.424(7) . ?
C1 C7 1.428(7) . ?
C2 C3 1.408(7) . ?
C3 C4 1.363(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.372(8) . ?
C5 H5 0.9300 . ?
C5 C6 1.367(8) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.380(8) . ?
C8 C13 1.422(8) . ?
C9 H9 0.9300 . ?
C9 C10 1.393(9) . ?
C10 H10 0.9300 . ?
C10 C11 1.381(9) . ?
C11 H11 0.9300 . ?
C11 C12 1.397(8) . ?
C12 H12 0.9300 . ?
C12 C13 1.431(7) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15 0.9300 . ?
C15 C16 1.372(8) . ?
C15 C20 1.392(7) . ?
C16 H16 0.9300 . ?
C16 C17 1.388(8) . ?
C17 H17 0.9300 . ?
C17 C18 1.371(8) . ?
C18 H18 0.9300 . ?
C18 C19 1.398(8) . ?
C19 H19 0.9300 . ?
C19 C20 1.403(7) . ?
C20 C21 1.509(7) . ?
C21 C22 1.389(7) . ?
C22 H22 0.9300 . ?
C22 C23 1.401(7) . ?
C23 C24 1.518(7) . ?
C24 C25 1.399(7) . ?
C24 C29 1.400(8) . ?
C25 H25 0.9300 . ?
C25 C26 1.388(8) . ?
C26 H26 0.9300 . ?
C26 C27 1.395(9) . ?
C27 H27 0.9300 . ?
C27 C28 1.376(8) . ?
C28 H28 0.9300 . ?
C28 C29 1.380(7) . ?
C29 H29 0.9300 . ?
C30 C33 1.570(9) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
O7 C34 1.248(8) . ?
N3 C34 1.306(8) . ?
N3 C35 1.475(8) . ?
N3 C36 1.494(8) . ?
C34 C37 1.540(8) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
N4 C39 1.123(8) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C38 C39 1.439(9) . ?

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 Dy1 37.42(7) . 3_666 ?
O1 Dy1 Dy1 37.06(8) 3_666 3_666 ?
O1 Dy1 O1 74.48(12) . 3_666 ?
O1 Dy1 O3 64.16(11) 3_666 3_666 ?
O1 Dy1 O3 131.91(11) . 3_666 ?
O1 Dy1 O6 80.05(11) . . ?
O1 Dy1 O6 81.65(11) 3_666 . ?
O1 Dy1 N1 145.42(13) 3_666 . ?
O1 Dy1 N1 75.75(13) . . ?
O2 Dy1 Dy1 169.70(10) . 3_666 ?
O2 Dy1 O1 143.89(12) . . ?
O2 Dy1 O1 139.37(13) . 3_666 ?
O2 Dy1 O3 75.71(13) . 3_666 ?
O2 Dy1 O4 94.52(13) . . ?
O2 Dy1 O5 83.30(13) . . ?
O2 Dy1 O6 91.59(12) . . ?
O2 Dy1 N1 68.14(15) . . ?
O3 Dy1 Dy1 98.21(8) 3_666 3_666 ?
O4 Dy1 Dy1 95.33(8) . 3_666 ?
O4 Dy1 O1 112.70(11) . 3_666 ?
O4 Dy1 O1 76.07(12) . . ?
O4 Dy1 O3 141.73(11) . 3_666 ?
O4 Dy1 O5 70.87(12) . . ?
O4 Dy1 O6 147.11(12) . . ?
O4 Dy1 N1 76.21(13) . . ?
O5 Dy1 Dy1 102.81(8) . 3_666 ?
O5 Dy1 O1 78.30(11) . 3_666 ?
O5 Dy1 O1 123.99(11) . . ?
O5 Dy1 O3 71.27(12) . 3_666 ?
O5 Dy1 O6 142.01(13) . . ?
O5 Dy1 N1 134.07(13) . . ?
O6 Dy1 Dy1 78.48(8) . 3_666 ?
O6 Dy1 O3 70.99(11) . 3_666 ?
O6 Dy1 N1 76.22(13) . . ?
N1 Dy1 Dy1 111.43(11) . 3_666 ?
N1 Dy1 O3 129.74(13) . 3_666 ?
Dy1 O1 Dy1 105.52(12) . 3_666 ?
C2 O1 Dy1 123.5(3) . 3_666 ?
C2 O1 Dy1 129.9(3) . . ?
C13 O2 Dy1 123.3(4) . . ?
C3 O3 Dy1 117.3(3) . 3_666 ?
C3 O3 C14 117.2(4) . . ?
C14 O3 Dy1 124.6(3) . 3_666 ?
C21 O4 Dy1 138.4(3) . . ?
C23 O5 Dy1 137.4(3) . . ?
C30 O6 Dy1 156.3(4) . . ?
C7 N1 Dy1 128.4(4) . . ?
C7 N1 C8 119.1(5) . . ?
C8 N1 Dy1 112.2(3) . . ?
C30 N2 C31 126.5(7) . . ?
C30 N2 C32 114.7(5) . . ?
C31 N2 C32 118.7(6) . . ?
C2 C1 C6 119.2(5) . . ?
C2 C1 C7 126.2(5) . . ?
C6 C1 C7 114.5(5) . . ?
O1 C2 C1 124.4(4) . . ?
O1 C2 C3 119.5(4) . . ?
C3 C2 C1 116.1(4) . . ?
C2 C3 O3 112.9(4) . . ?
C4 C3 O3 123.6(5) . . ?
C4 C3 C2 123.5(5) . . ?
C3 C4 H4 120.0 . . ?
C3 C4 C5 119.9(5) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 119.9 . . ?
C6 C5 C4 120.2(5) . . ?
C6 C5 H5 119.9 . . ?
C1 C6 H6 119.5 . . ?
C5 C6 C1 121.0(5) . . ?
C5 C6 H6 119.5 . . ?
N1 C7 C1 127.6(5) . . ?
N1 C7 H7 116.2 . . ?
C1 C7 H7 116.2 . . ?
C9 C8 N1 126.7(6) . . ?
C9 C8 C13 120.1(6) . . ?
C13 C8 N1 113.1(5) . . ?
C8 C9 H9 119.7 . . ?
C8 C9 C10 120.6(6) . . ?
C10 C9 H9 119.7 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 C9 120.1(6) . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 119.2 . . ?
C10 C11 C12 121.5(6) . . ?
C12 C11 H11 119.2 . . ?
C11 C12 H12 120.7 . . ?
C11 C12 C13 118.5(6) . . ?
C13 C12 H12 120.7 . . ?
O2 C13 C8 120.1(5) . . ?
O2 C13 C12 120.9(5) . . ?
C8 C13 C12 119.0(5) . . ?
O3 C14 H14A 109.5 . . ?
O3 C14 H14B 109.5 . . ?
O3 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 H15 119.6 . . ?
C16 C15 C20 120.9(5) . . ?
C20 C15 H15 119.6 . . ?
C15 C16 H16 119.8 . . ?
C15 C16 C17 120.3(5) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 H17 120.0 . . ?
C18 C17 C16 120.0(6) . . ?
C18 C17 H17 120.0 . . ?
C17 C18 H18 119.9 . . ?
C17 C18 C19 120.3(5) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 H19 120.1 . . ?
C18 C19 C20 119.7(5) . . ?
C20 C19 H19 120.1 . . ?
C15 C20 C19 118.7(5) . . ?
C15 C20 C21 118.4(5) . . ?
C19 C20 C21 122.9(5) . . ?
O4 C21 C20 114.2(4) . . ?
O4 C21 C22 124.7(5) . . ?
C22 C21 C20 121.1(5) . . ?
C21 C22 H22 119.1 . . ?
C21 C22 C23 121.8(5) . . ?
C23 C22 H22 119.1 . . ?
O5 C23 C22 124.5(5) . . ?
O5 C23 C24 114.9(5) . . ?
C22 C23 C24 120.5(4) . . ?
C25 C24 C23 122.7(5) . . ?
C25 C24 C29 118.7(5) . . ?
C29 C24 C23 118.5(5) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 C24 120.2(6) . . ?
C26 C25 H25 119.9 . . ?
C25 C26 H26 119.9 . . ?
C25 C26 C27 120.2(6) . . ?
C27 C26 H26 119.9 . . ?
C26 C27 H27 120.2 . . ?
C28 C27 C26 119.7(5) . . ?
C28 C27 H27 120.2 . . ?
C27 C28 H28 119.7 . . ?
C27 C28 C29 120.6(6) . . ?
C29 C28 H28 119.7 . . ?
C24 C29 H29 119.7 . . ?
C28 C29 C24 120.5(5) . . ?
C28 C29 H29 119.7 . . ?
O6 C30 C33 119.1(6) . . ?
N2 C30 O6 125.4(7) . . ?
N2 C30 C33 115.5(6) . . ?
N2 C31 H31A 109.5 . . ?
N2 C31 H31B 109.5 . . ?
N2 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N2 C32 H32A 109.5 . . ?
N2 C32 H32B 109.5 . . ?
N2 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C30 C33 H33A 109.5 . . ?
C30 C33 H33B 109.5 . . ?
C30 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C34 N3 C35 117.9(6) . . ?
C34 N3 C36 123.5(6) . . ?
C35 N3 C36 117.1(6) . . ?
O7 C34 N3 121.5(6) . . ?
O7 C34 C37 120.8(6) . . ?
N3 C34 C37 117.7(6) . . ?
N3 C35 H35A 109.5 . . ?
N3 C35 H35B 109.5 . . ?
N3 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
N3 C36 H36A 109.5 . . ?
N3 C36 H36B 109.5 . . ?
N3 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C34 C37 H37A 109.5 . . ?
C34 C37 H37B 109.5 . . ?
C34 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C39 C38 H38A 109.5 . . ?
C39 C38 H38B 109.5 . . ?
C39 C38 H38C 109.5 . . ?
N4 C39 C38 178.5(9) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O1 C2 C1 -27.6(6) . . . . ?
Dy1 O1 C2 C1 166.1(3) 3_666 . . . ?
Dy1 O1 C2 C3 151.9(3) . . . . ?
Dy1 O1 C2 C3 -14.3(6) 3_666 . . . ?
Dy1 O2 C13 C8 -16.9(7) . . . . ?
Dy1 O2 C13 C12 163.9(4) . . . . ?
Dy1 O3 C3 C2 11.6(5) 3_666 . . . ?
Dy1 O3 C3 C4 -169.2(4) 3_666 . . . ?
Dy1 O4 C21 C20 -170.6(3) . . . . ?
Dy1 O4 C21 C22 9.0(8) . . . . ?
Dy1 O5 C23 C22 -13.3(8) . . . . ?
Dy1 O5 C23 C24 166.3(3) . . . . ?
Dy1 O6 C30 N2 149.7(6) . . . . ?
Dy1 O6 C30 C33 -32.9(11) . . . . ?
Dy1 N1 C7 C1 3.7(8) . . . . ?
Dy1 N1 C8 C9 -167.4(5) . . . . ?
Dy1 N1 C8 C13 10.4(5) . . . . ?
O1 C2 C3 O3 0.6(6) . . . . ?
O1 C2 C3 C4 -178.6(5) . . . . ?
O3 C3 C4 C5 -179.6(5) . . . . ?
O4 C21 C22 C23 3.1(8) . . . . ?
O5 C23 C24 C25 172.5(4) . . . . ?
O5 C23 C24 C29 -8.6(6) . . . . ?
N1 C8 C9 C10 179.6(5) . . . . ?
N1 C8 C13 O2 2.4(7) . . . . ?
N1 C8 C13 C12 -178.4(4) . . . . ?
C1 C2 C3 O3 -179.9(4) . . . . ?
C1 C2 C3 C4 0.9(7) . . . . ?
C2 C1 C6 C5 -1.9(8) . . . . ?
C2 C1 C7 N1 13.1(8) . . . . ?
C2 C3 C4 C5 -0.5(8) . . . . ?
C3 C4 C5 C6 -1.3(8) . . . . ?
C4 C5 C6 C1 2.5(8) . . . . ?
C6 C1 C2 O1 179.8(4) . . . . ?
C6 C1 C2 C3 0.2(7) . . . . ?
C6 C1 C7 N1 -167.7(5) . . . . ?
C7 N1 C8 C9 17.6(8) . . . . ?
C7 N1 C8 C13 -164.6(5) . . . . ?
C7 C1 C2 O1 -1.0(7) . . . . ?
C7 C1 C2 C3 179.4(5) . . . . ?
C7 C1 C6 C5 178.8(5) . . . . ?
C8 N1 C7 C1 177.8(5) . . . . ?
C8 C9 C10 C11 -2.7(10) . . . . ?
C9 C8 C13 O2 -179.7(5) . . . . ?
C9 C8 C13 C12 -0.4(8) . . . . ?
C9 C10 C11 C12 1.9(10) . . . . ?
C10 C11 C12 C13 -0.4(9) . . . . ?
C11 C12 C13 O2 178.9(5) . . . . ?
C11 C12 C13 C8 -0.3(8) . . . . ?
C13 C8 C9 C10 2.0(9) . . . . ?
C14 O3 C3 C2 -179.2(4) . . . . ?
C14 O3 C3 C4 0.0(7) . . . . ?
C15 C16 C17 C18 -0.8(10) . . . . ?
C15 C20 C21 O4 13.3(7) . . . . ?
C15 C20 C21 C22 -166.3(5) . . . . ?
C16 C15 C20 C19 0.2(8) . . . . ?
C16 C15 C20 C21 -179.4(5) . . . . ?
C16 C17 C18 C19 -1.4(10) . . . . ?
C17 C18 C19 C20 3.0(9) . . . . ?
C18 C19 C20 C15 -2.4(8) . . . . ?
C18 C19 C20 C21 177.2(5) . . . . ?
C19 C20 C21 O4 -166.3(4) . . . . ?
C19 C20 C21 C22 14.0(7) . . . . ?
C20 C15 C16 C17 1.4(9) . . . . ?
C20 C21 C22 C23 -177.3(4) . . . . ?
C21 C22 C23 O5 -1.0(8) . . . . ?
C21 C22 C23 C24 179.4(4) . . . . ?
C22 C23 C24 C25 -7.9(7) . . . . ?
C22 C23 C24 C29 171.0(5) . . . . ?
C23 C24 C25 C26 178.4(5) . . . . ?
C23 C24 C29 C28 -177.6(4) . . . . ?
C24 C25 C26 C27 -0.8(8) . . . . ?
C25 C24 C29 C28 1.3(8) . . . . ?
C25 C26 C27 C28 1.4(9) . . . . ?
C26 C27 C28 C29 -0.6(8) . . . . ?
C27 C28 C29 C24 -0.8(8) . . . . ?
C29 C24 C25 C26 -0.5(7) . . . . ?
C31 N2 C30 O6 174.0(5) . . . . ?
C31 N2 C30 C33 -3.5(8) . . . . ?
C32 N2 C30 O6 -2.3(8) . . . . ?
C32 N2 C30 C33 -179.7(4) . . . . ?
C35 N3 C34 O7 -2.0(12) . . . . ?
C35 N3 C34 C37 176.2(7) . . . . ?
C36 N3 C34 O7 -167.7(7) . . . . ?
C36 N3 C34 C37 10.4(12) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_dy
_database_code_depnum_ccdc_archive 'CCDC 1479828'
_audit_update_record             
;
2016-05-14 deposited with the CCDC.
2016-12-05 downloaded from the CCDC.
;
_audit_creation_date             2016-05-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C64 H58 Dy2 N4 O12'
_chemical_formula_sum            'C64 H58 Dy2 N4 O12'
_chemical_formula_weight         1400.14
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C64 H58 Dy2 N4 O12'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   11.2804(2)
_cell_length_b                   15.7016(3)
_cell_length_c                   15.5827(3)
_cell_angle_alpha                90
_cell_angle_beta                 95.7601(18)
_cell_angle_gamma                90
_cell_volume                     2746.10(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6437
_cell_measurement_temperature    100.02(10)
_cell_measurement_theta_max      28.8110
_cell_measurement_theta_min      3.8510
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.771
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.77690
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.693
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1396
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.3
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0333
_diffrn_reflns_av_unetI/netI     0.0542
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.846
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            12479
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.846
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         29.132
_diffrn_reflns_theta_min         3.358
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.02(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0714
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.846
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -94.00  -61.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663  178.0000 -120.0000 33

#__ type_ start__ end____ width___ exp.time_
  2 omega    6.00   80.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8601   57.0000   60.0000 74

#__ type_ start__ end____ width___ exp.time_
  3 omega  -48.00   69.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8601    0.0000 -120.0000 117
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0086994000
_diffrn_orient_matrix_UB_12      0.0422301000
_diffrn_orient_matrix_UB_13      0.0155120000
_diffrn_orient_matrix_UB_21      -0.0625132000
_diffrn_orient_matrix_UB_22      0.0066955000
_diffrn_orient_matrix_UB_23      -0.0049241000
_diffrn_orient_matrix_UB_31      -0.0035484000
_diffrn_orient_matrix_UB_32      -0.0145409000
_diffrn_orient_matrix_UB_33      0.0427566000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5270
_reflns_number_total             6264
_reflns_odcompleteness_completeness 99.64
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.815
_refine_diff_density_min         -1.039
_refine_diff_density_rms         0.119
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         6264
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0411
_refine_ls_R_factor_gt           0.0322
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0229P)²+0.4321P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0661
_refine_ls_wR_factor_ref         0.0706
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C10(H10), C11(H11), C12(H12),
 C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C22(H22), C25(H25), C26(H26),
  C27(H27), C28(H28), C29(H29), C30(H30)
2.b Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.52262(2) 0.61268(2) 0.54203(2) 0.01728(6) Uani 1 1 d . . . . .
O1 O 0.6238(2) 0.48737(13) 0.51443(13) 0.0185(5) Uani 1 1 d . . . . .
O2 O 0.5454(2) 0.75287(14) 0.55811(14) 0.0239(5) Uani 1 1 d . . . . .
O3 O 0.6542(2) 0.32279(14) 0.54112(15) 0.0256(6) Uani 1 1 d . . . . .
O4 O 0.6085(2) 0.56444(15) 0.67411(14) 0.0253(6) Uani 1 1 d . . . . .
O5 O 0.3809(2) 0.62146(14) 0.64013(14) 0.0222(5) Uani 1 1 d . . . . .
O6 O 0.5612(2) 0.63719(15) 0.39553(14) 0.0267(6) Uani 1 1 d . . . . .
N1 N 0.7364(3) 0.65651(17) 0.54305(16) 0.0198(6) Uani 1 1 d . . . . .
N2 N 0.6872(3) 0.67147(19) 0.29657(18) 0.0296(7) Uani 1 1 d . . . . .
C1 C 0.8318(3) 0.5165(2) 0.5627(2) 0.0231(8) Uani 1 1 d . . . . .
C2 C 0.7333(3) 0.4622(2) 0.5440(2) 0.0206(7) Uani 1 1 d . . . . .
C3 C 0.7541(3) 0.3737(2) 0.5573(2) 0.0237(8) Uani 1 1 d . . . . .
C4 C 0.8645(3) 0.3417(2) 0.5839(2) 0.0285(8) Uani 1 1 d . . . . .
H4 H 0.8750 0.2833 0.5911 0.034 Uiso 1 1 calc R . . . .
C5 C 0.9608(4) 0.3961(2) 0.6001(2) 0.0351(10) Uani 1 1 d . . . . .
H5 H 1.0361 0.3745 0.6177 0.042 Uiso 1 1 calc R . . . .
C6 C 0.9441(3) 0.4816(2) 0.5900(2) 0.0301(8) Uani 1 1 d . . . . .
H6 H 1.0089 0.5180 0.6015 0.036 Uiso 1 1 calc R . . . .
C7 C 0.8288(3) 0.6090(2) 0.5547(2) 0.0238(8) Uani 1 1 d . . . . .
H7 H 0.9021 0.6365 0.5585 0.029 Uiso 1 1 calc R . . . .
C8 C 0.7483(3) 0.7461(2) 0.5304(2) 0.0221(7) Uani 1 1 d . . . . .
C9 C 0.8505(3) 0.7873(2) 0.5089(2) 0.0290(9) Uani 1 1 d . . . . .
H9 H 0.9201 0.7564 0.5047 0.035 Uiso 1 1 calc R . . . .
C10 C 0.8485(4) 0.8752(2) 0.4934(2) 0.0334(10) Uani 1 1 d . . . . .
H10 H 0.9173 0.9031 0.4805 0.040 Uiso 1 1 calc R . . . .
C11 C 0.7438(4) 0.9205(2) 0.4974(2) 0.0291(9) Uani 1 1 d . . . . .
H11 H 0.7425 0.9787 0.4865 0.035 Uiso 1 1 calc R . . . .
C12 C 0.6408(4) 0.8799(2) 0.5175(2) 0.0264(8) Uani 1 1 d . . . . .
H12 H 0.5709 0.9111 0.5186 0.032 Uiso 1 1 calc R . . . .
C13 C 0.6407(3) 0.7925(2) 0.5360(2) 0.0214(7) Uani 1 1 d . . . . .
C14 C 0.6523(4) 0.2469(2) 0.5921(3) 0.0385(10) Uani 1 1 d . . . . .
H14A H 0.6710 0.2610 0.6519 0.058 Uiso 1 1 calc GR . . . .
H14B H 0.7101 0.2073 0.5747 0.058 Uiso 1 1 calc GR . . . .
H14C H 0.5744 0.2217 0.5839 0.058 Uiso 1 1 calc GR . . . .
C15 C 0.7772(3) 0.4817(2) 0.7880(2) 0.0253(8) Uani 1 1 d . . . . .
H15 H 0.8046 0.5250 0.7543 0.030 Uiso 1 1 calc R . . . .
C16 C 0.8579(4) 0.4296(2) 0.8343(2) 0.0311(9) Uani 1 1 d . . . . .
H16 H 0.9392 0.4380 0.8325 0.037 Uiso 1 1 calc R . . . .
C17 C 0.8166(4) 0.3637(2) 0.8846(3) 0.0358(10) Uani 1 1 d . . . . .
H17 H 0.8705 0.3292 0.9176 0.043 Uiso 1 1 calc R . . . .
C18 C 0.6968(4) 0.3505(2) 0.8845(3) 0.0367(10) Uani 1 1 d . . . . .
H18 H 0.6694 0.3058 0.9164 0.044 Uiso 1 1 calc R . . . .
C19 C 0.6155(3) 0.4032(2) 0.8375(2) 0.0279(8) Uani 1 1 d . . . . .
H19 H 0.5343 0.3930 0.8375 0.033 Uiso 1 1 calc R . . . .
C20 C 0.6543(3) 0.4707(2) 0.7906(2) 0.0239(8) Uani 1 1 d . . . . .
C21 C 0.5702(3) 0.5285(2) 0.7385(2) 0.0242(8) Uani 1 1 d . . . . .
C22 C 0.4541(3) 0.5429(2) 0.7626(2) 0.0258(8) Uani 1 1 d . . . . .
H22 H 0.4346 0.5193 0.8141 0.031 Uiso 1 1 calc R . . . .
C23 C 0.3683(3) 0.5900(2) 0.7142(2) 0.0216(7) Uani 1 1 d . . . . .
C24 C 0.2480(3) 0.6044(2) 0.7455(2) 0.0230(8) Uani 1 1 d . . . . .
C25 C 0.2133(3) 0.5687(2) 0.8214(2) 0.0300(9) Uani 1 1 d . . . . .
H25 H 0.2653 0.5328 0.8544 0.036 Uiso 1 1 calc R . . . .
C26 C 0.1023(4) 0.5861(2) 0.8479(3) 0.0322(9) Uani 1 1 d . . . . .
H26 H 0.0799 0.5611 0.8980 0.039 Uiso 1 1 calc R . . . .
C27 C 0.0254(4) 0.6396(2) 0.8011(2) 0.0325(9) Uani 1 1 d . . . . .
H27 H -0.0486 0.6516 0.8198 0.039 Uiso 1 1 calc R . . . .
C28 C 0.0573(3) 0.6759(2) 0.7263(2) 0.0329(9) Uani 1 1 d . . . . .
H28 H 0.0050 0.7125 0.6946 0.040 Uiso 1 1 calc R . . . .
C29 C 0.1668(3) 0.6579(2) 0.6984(2) 0.0292(8) Uani 1 1 d . . . . .
H29 H 0.1869 0.6818 0.6472 0.035 Uiso 1 1 calc R . . . .
C30 C 0.6472(3) 0.6199(2) 0.3552(2) 0.0231(8) Uani 1 1 d . . . . .
H30 H 0.6859 0.5683 0.3664 0.028 Uiso 1 1 calc R . . . .
C31 C 0.7826(4) 0.6458(3) 0.2474(2) 0.0409(10) Uani 1 1 d . . . . .
H31A H 0.8487 0.6840 0.2588 0.061 Uiso 1 1 calc GR . . . .
H31B H 0.7554 0.6472 0.1870 0.061 Uiso 1 1 calc GR . . . .
H31C H 0.8073 0.5890 0.2635 0.061 Uiso 1 1 calc GR . . . .
C32 C 0.6339(4) 0.7549(2) 0.2794(3) 0.0450(12) Uani 1 1 d . . . . .
H32A H 0.5774 0.7519 0.2291 0.067 Uiso 1 1 calc GR . . . .
H32B H 0.6950 0.7953 0.2697 0.067 Uiso 1 1 calc GR . . . .
H32C H 0.5940 0.7727 0.3279 0.067 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy1 3.7900(3) 3_666 ?
Dy1 O1 2.383(2) 3_666 ?
Dy1 O1 2.336(2) . ?
Dy1 O2 2.227(2) . ?
Dy1 O3 2.483(2) 3_666 ?
Dy1 O4 2.313(2) . ?
Dy1 O5 2.324(2) . ?
Dy1 O6 2.398(2) . ?
Dy1 N1 2.506(3) . ?
O1 Dy1 2.383(2) 3_666 ?
O1 C2 1.335(4) . ?
O2 C13 1.317(4) . ?
O3 Dy1 2.483(2) 3_666 ?
O3 C3 1.384(4) . ?
O3 C14 1.434(4) . ?
O4 C21 1.264(4) . ?
O5 C23 1.276(4) . ?
O6 C30 1.237(4) . ?
N1 C7 1.280(4) . ?
N1 C8 1.429(4) . ?
N2 C30 1.333(4) . ?
N2 C31 1.441(5) . ?
N2 C32 1.455(5) . ?
C1 C2 1.407(5) . ?
C1 C6 1.407(5) . ?
C1 C7 1.458(4) . ?
C2 C3 1.421(4) . ?
C3 C4 1.368(5) . ?
C4 H4 0.9300 . ?
C4 C5 1.384(5) . ?
C5 H5 0.9300 . ?
C5 C6 1.363(5) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.392(5) . ?
C8 C13 1.425(5) . ?
C9 H9 0.9300 . ?
C9 C10 1.402(5) . ?
C10 H10 0.9300 . ?
C10 C11 1.385(5) . ?
C11 H11 0.9300 . ?
C11 C12 1.389(5) . ?
C12 H12 0.9300 . ?
C12 C13 1.402(4) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15 0.9300 . ?
C15 C16 1.373(5) . ?
C15 C20 1.401(5) . ?
C16 H16 0.9300 . ?
C16 C17 1.405(5) . ?
C17 H17 0.9300 . ?
C17 C18 1.367(6) . ?
C18 H18 0.9300 . ?
C18 C19 1.389(5) . ?
C19 H19 0.9300 . ?
C19 C20 1.384(4) . ?
C20 C21 1.492(5) . ?
C21 C22 1.417(5) . ?
C22 H22 0.9300 . ?
C22 C23 1.381(5) . ?
C23 C24 1.505(5) . ?
C24 C25 1.400(5) . ?
C24 C29 1.395(5) . ?
C25 H25 0.9300 . ?
C25 C26 1.384(5) . ?
C26 H26 0.9300 . ?
C26 C27 1.365(5) . ?
C27 H27 0.9300 . ?
C27 C28 1.378(5) . ?
C28 H28 0.9300 . ?
C28 C29 1.380(5) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?

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 Dy1 36.98(6) . 3_666 ?
O1 Dy1 Dy1 36.15(5) 3_666 3_666 ?
O1 Dy1 O1 73.13(9) . 3_666 ?
O1 Dy1 O3 128.99(8) . 3_666 ?
O1 Dy1 O3 65.53(7) 3_666 3_666 ?
O1 Dy1 O6 79.70(7) . . ?
O1 Dy1 O6 86.53(8) 3_666 . ?
O1 Dy1 N1 75.23(8) . . ?
O1 Dy1 N1 144.50(8) 3_666 . ?
O2 Dy1 Dy1 166.31(6) . 3_666 ?
O2 Dy1 O1 139.56(8) . 3_666 ?
O2 Dy1 O1 143.13(8) . . ?
O2 Dy1 O3 74.52(8) . 3_666 ?
O2 Dy1 O4 100.97(8) . . ?
O2 Dy1 O5 86.95(8) . . ?
O2 Dy1 O6 85.32(8) . . ?
O2 Dy1 N1 68.14(9) . . ?
O3 Dy1 Dy1 97.32(5) 3_666 3_666 ?
O3 Dy1 N1 127.82(8) 3_666 . ?
O4 Dy1 Dy1 91.82(6) . 3_666 ?
O4 Dy1 O1 109.01(8) . 3_666 ?
O4 Dy1 O1 73.69(8) . . ?
O4 Dy1 O3 147.25(8) . 3_666 ?
O4 Dy1 O5 71.85(8) . . ?
O4 Dy1 O6 143.13(9) . . ?
O4 Dy1 N1 76.54(8) . . ?
O5 Dy1 Dy1 101.84(5) . 3_666 ?
O5 Dy1 O1 77.59(7) . 3_666 ?
O5 Dy1 O1 123.50(7) . . ?
O5 Dy1 O3 75.50(8) . 3_666 ?
O5 Dy1 O6 145.02(9) . . ?
O5 Dy1 N1 134.78(8) . . ?
O6 Dy1 Dy1 81.47(6) . 3_666 ?
O6 Dy1 O3 69.55(8) . 3_666 ?
O6 Dy1 N1 72.27(9) . . ?
N1 Dy1 Dy1 110.77(6) . 3_666 ?
Dy1 O1 Dy1 106.87(9) . 3_666 ?
C2 O1 Dy1 121.0(2) . 3_666 ?
C2 O1 Dy1 129.6(2) . . ?
C13 O2 Dy1 121.7(2) . . ?
C3 O3 Dy1 117.15(18) . 3_666 ?
C3 O3 C14 115.8(3) . . ?
C14 O3 Dy1 124.9(2) . 3_666 ?
C21 O4 Dy1 134.9(2) . . ?
C23 O5 Dy1 135.9(2) . . ?
C30 O6 Dy1 132.4(2) . . ?
C7 N1 Dy1 127.6(2) . . ?
C7 N1 C8 120.5(3) . . ?
C8 N1 Dy1 111.9(2) . . ?
C30 N2 C31 121.2(3) . . ?
C30 N2 C32 120.7(3) . . ?
C31 N2 C32 118.1(3) . . ?
C2 C1 C7 125.1(3) . . ?
C6 C1 C2 119.7(3) . . ?
C6 C1 C7 115.2(3) . . ?
O1 C2 C1 125.2(3) . . ?
O1 C2 C3 118.3(3) . . ?
C1 C2 C3 116.6(3) . . ?
O3 C3 C2 114.8(3) . . ?
C4 C3 O3 122.9(3) . . ?
C4 C3 C2 122.3(4) . . ?
C3 C4 H4 119.9 . . ?
C3 C4 C5 120.2(3) . . ?
C5 C4 H4 119.9 . . ?
C4 C5 H5 120.3 . . ?
C6 C5 C4 119.3(4) . . ?
C6 C5 H5 120.3 . . ?
C1 C6 H6 119.1 . . ?
C5 C6 C1 121.9(4) . . ?
C5 C6 H6 119.1 . . ?
N1 C7 C1 127.2(3) . . ?
N1 C7 H7 116.4 . . ?
C1 C7 H7 116.4 . . ?
C9 C8 N1 125.6(3) . . ?
C9 C8 C13 120.6(3) . . ?
C13 C8 N1 113.7(3) . . ?
C8 C9 H9 120.0 . . ?
C8 C9 C10 119.9(4) . . ?
C10 C9 H9 120.0 . . ?
C9 C10 H10 120.1 . . ?
C11 C10 C9 119.8(3) . . ?
C11 C10 H10 120.1 . . ?
C10 C11 H11 119.6 . . ?
C10 C11 C12 120.7(3) . . ?
C12 C11 H11 119.6 . . ?
C11 C12 H12 119.5 . . ?
C11 C12 C13 120.9(4) . . ?
C13 C12 H12 119.5 . . ?
O2 C13 C8 119.8(3) . . ?
O2 C13 C12 122.3(3) . . ?
C12 C13 C8 118.0(3) . . ?
O3 C14 H14A 109.5 . . ?
O3 C14 H14B 109.5 . . ?
O3 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 H15 119.4 . . ?
C16 C15 C20 121.2(3) . . ?
C20 C15 H15 119.4 . . ?
C15 C16 H16 120.3 . . ?
C15 C16 C17 119.5(4) . . ?
C17 C16 H16 120.3 . . ?
C16 C17 H17 120.2 . . ?
C18 C17 C16 119.6(4) . . ?
C18 C17 H17 120.2 . . ?
C17 C18 H18 119.7 . . ?
C17 C18 C19 120.7(4) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 H19 119.7 . . ?
C20 C19 C18 120.5(4) . . ?
C20 C19 H19 119.7 . . ?
C15 C20 C21 119.1(3) . . ?
C19 C20 C15 118.4(3) . . ?
C19 C20 C21 122.4(3) . . ?
O4 C21 C20 117.0(3) . . ?
O4 C21 C22 122.5(3) . . ?
C22 C21 C20 120.5(3) . . ?
C21 C22 H22 118.1 . . ?
C23 C22 C21 123.8(3) . . ?
C23 C22 H22 118.1 . . ?
O5 C23 C22 124.5(3) . . ?
O5 C23 C24 114.9(3) . . ?
C22 C23 C24 120.6(3) . . ?
C25 C24 C23 123.5(3) . . ?
C29 C24 C23 119.0(3) . . ?
C29 C24 C25 117.5(3) . . ?
C24 C25 H25 119.6 . . ?
C26 C25 C24 120.7(4) . . ?
C26 C25 H25 119.6 . . ?
C25 C26 H26 119.8 . . ?
C27 C26 C25 120.5(4) . . ?
C27 C26 H26 119.8 . . ?
C26 C27 H27 120.0 . . ?
C26 C27 C28 120.1(4) . . ?
C28 C27 H27 120.0 . . ?
C27 C28 H28 120.0 . . ?
C27 C28 C29 120.0(4) . . ?
C29 C28 H28 120.0 . . ?
C24 C29 H29 119.4 . . ?
C28 C29 C24 121.3(3) . . ?
C28 C29 H29 119.4 . . ?
O6 C30 N2 123.5(3) . . ?
O6 C30 H30 118.3 . . ?
N2 C30 H30 118.3 . . ?
N2 C31 H31A 109.5 . . ?
N2 C31 H31B 109.5 . . ?
N2 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N2 C32 H32A 109.5 . . ?
N2 C32 H32B 109.5 . . ?
N2 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O1 C2 C1 -33.3(4) . . . . ?
Dy1 O1 C2 C1 166.9(2) 3_666 . . . ?
Dy1 O1 C2 C3 147.4(2) . . . . ?
Dy1 O1 C2 C3 -12.4(4) 3_666 . . . ?
Dy1 O2 C13 C8 -22.3(4) . . . . ?
Dy1 O2 C13 C12 157.7(2) . . . . ?
Dy1 O3 C3 C2 15.6(3) 3_666 . . . ?
Dy1 O3 C3 C4 -164.3(3) 3_666 . . . ?
Dy1 O4 C21 C20 150.6(2) . . . . ?
Dy1 O4 C21 C22 -31.0(5) . . . . ?
Dy1 O5 C23 C22 7.1(5) . . . . ?
Dy1 O5 C23 C24 -170.3(2) . . . . ?
Dy1 O6 C30 N2 -141.9(3) . . . . ?
Dy1 N1 C7 C1 5.9(5) . . . . ?
Dy1 N1 C8 C9 -164.9(3) . . . . ?
Dy1 N1 C8 C13 10.9(3) . . . . ?
O1 C2 C3 O3 -2.8(4) . . . . ?
O1 C2 C3 C4 177.1(3) . . . . ?
O3 C3 C4 C5 -179.2(3) . . . . ?
O4 C21 C22 C23 6.8(6) . . . . ?
O5 C23 C24 C25 174.2(3) . . . . ?
O5 C23 C24 C29 -7.6(5) . . . . ?
N1 C8 C9 C10 176.3(3) . . . . ?
N1 C8 C13 O2 5.2(4) . . . . ?
N1 C8 C13 C12 -174.8(3) . . . . ?
C1 C2 C3 O3 177.9(3) . . . . ?
C1 C2 C3 C4 -2.3(5) . . . . ?
C2 C1 C6 C5 -0.8(5) . . . . ?
C2 C1 C7 N1 11.7(5) . . . . ?
C2 C3 C4 C5 1.0(5) . . . . ?
C3 C4 C5 C6 0.5(5) . . . . ?
C4 C5 C6 C1 -0.6(5) . . . . ?
C6 C1 C2 O1 -177.2(3) . . . . ?
C6 C1 C2 C3 2.1(4) . . . . ?
C6 C1 C7 N1 -169.4(3) . . . . ?
C7 N1 C8 C9 16.3(5) . . . . ?
C7 N1 C8 C13 -167.9(3) . . . . ?
C7 C1 C2 O1 1.7(5) . . . . ?
C7 C1 C2 C3 -179.0(3) . . . . ?
C7 C1 C6 C5 -179.8(3) . . . . ?
C8 N1 C7 C1 -175.6(3) . . . . ?
C8 C9 C10 C11 -1.7(6) . . . . ?
C9 C8 C13 O2 -178.7(3) . . . . ?
C9 C8 C13 C12 1.3(5) . . . . ?
C9 C10 C11 C12 0.7(6) . . . . ?
C10 C11 C12 C13 1.4(5) . . . . ?
C11 C12 C13 O2 177.7(3) . . . . ?
C11 C12 C13 C8 -2.3(5) . . . . ?
C13 C8 C9 C10 0.7(5) . . . . ?
C14 O3 C3 C2 -148.8(3) . . . . ?
C14 O3 C3 C4 31.3(5) . . . . ?
C15 C16 C17 C18 2.0(6) . . . . ?
C15 C20 C21 O4 23.1(5) . . . . ?
C15 C20 C21 C22 -155.4(3) . . . . ?
C16 C15 C20 C19 -3.3(5) . . . . ?
C16 C15 C20 C21 -179.5(3) . . . . ?
C16 C17 C18 C19 -1.9(6) . . . . ?
C17 C18 C19 C20 -0.8(6) . . . . ?
C18 C19 C20 C15 3.4(5) . . . . ?
C18 C19 C20 C21 179.5(3) . . . . ?
C19 C20 C21 O4 -152.9(3) . . . . ?
C19 C20 C21 C22 28.6(5) . . . . ?
C20 C15 C16 C17 0.6(5) . . . . ?
C20 C21 C22 C23 -174.8(3) . . . . ?
C21 C22 C23 O5 4.4(6) . . . . ?
C21 C22 C23 C24 -178.3(3) . . . . ?
C22 C23 C24 C25 -3.3(5) . . . . ?
C22 C23 C24 C29 175.0(3) . . . . ?
C23 C24 C25 C26 178.4(3) . . . . ?
C23 C24 C29 C28 -177.3(3) . . . . ?
C24 C25 C26 C27 -1.1(6) . . . . ?
C25 C24 C29 C28 1.0(5) . . . . ?
C25 C26 C27 C28 0.9(6) . . . . ?
C26 C27 C28 C29 0.2(6) . . . . ?
C27 C28 C29 C24 -1.2(6) . . . . ?
C29 C24 C25 C26 0.1(5) . . . . ?
C31 N2 C30 O6 -175.8(3) . . . . ?
C32 N2 C30 O6 3.0(5) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
