# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_121907-yehuajian
_database_code_depnum_ccdc_archive 'CCDC 2098134'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Chen'
;Guangzhou University
China
;
_audit_update_record             
;
2021-08-26 deposited with the CCDC.	2021-08-30 downloaded from the CCDC.
;
_audit_creation_date             2021-08-26
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C27 H18 Dy N15 O12, 3(H2 O)'
_chemical_formula_sum            'C27 H24 Dy N15 O15'
_chemical_formula_weight         961.11
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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                   13.96209(10)
_cell_length_b                   16.44139(8)
_cell_length_c                   17.20872(11)
_cell_angle_alpha                90
_cell_angle_beta                 110.0249(7)
_cell_angle_gamma                90
_cell_volume                     3711.54(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    27230
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      76.0640
_cell_measurement_theta_min      3.3700
_shelx_estimated_absorpt_T_max   0.363
_shelx_estimated_absorpt_T_min   0.230
_exptl_absorpt_coefficient_mu    11.564
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.67939
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.59a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.720
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1908
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_av_unetI/netI     0.0227
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            50442
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.821
_diffrn_reflns_theta_min         3.369
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -64.00  27.00   0.50    0.21    --  -45.62  96.00 -79.00  182
  2  ω    -22.00  60.00   0.50    0.21    --   45.62 -96.00 170.00  164
  3  ω    -92.00 -67.00   0.50    0.90    -- -102.00  96.00 -79.00   50
  4  ω   -123.00 -97.00   0.50    0.90    -- -102.00 -96.00 170.00   52
  5  ω     48.00  74.00   0.50    0.90    --  106.06 -96.00 170.00   52
  6  ω     93.00 149.00   0.50    0.90    --  106.06  96.00 -79.00  112
  7  ω    -13.00  30.00   0.50    0.21    --  -45.62  19.00 -60.00   86
  8  ω    -17.00  28.00   0.50    0.21    --  -45.62  37.00  30.00   90
  9  ω    -93.00 -68.00   0.50    0.21    --  -45.62 125.00 120.00   50
 10  ω    -23.00  30.00   0.50    0.21    --  -45.62  19.00 -90.00  106
 11  ω    -22.00  29.00   0.50    0.21    --  -45.62  19.00-180.00  102
 12  ω    -62.00 -14.00   0.50    0.21    --  -45.62 125.00 120.00   96
 13  ω     19.00  46.00   0.50    0.21    --   45.62-125.00 120.00   54
 14  ω     69.00  94.00   0.50    0.21    --   45.62-125.00 120.00   50
 15  ω    -67.00 -30.00   0.50    0.90    -- -102.00  61.00  30.00   74
 16  ω   -175.00-150.00   0.50    0.90    -- -102.00 -15.00-120.00   50
 17  ω    -69.00 -31.00   0.50    0.90    -- -102.00 125.00  30.00   76
 18  ω   -138.00 -85.00   0.50    0.90    -- -102.00 -15.00-120.00  106
 19  ω   -108.00 -80.00   0.50    0.90    -- -102.00 125.00  30.00   56
 20  ω    -67.00 -36.00   0.50    0.90    -- -102.00  61.00  90.00   62
 21  ω   -107.00 -29.00   0.50    0.90    -- -102.00 108.00 112.83  156
 22  ω   -165.00-117.00   0.50    0.90    -- -102.00 -45.00-150.00   96
 23  ω   -108.00 -29.00   0.50    0.90    -- -102.00 109.00-104.99  158
 24  ω   -149.00 -79.00   0.50    0.90    -- -102.00 -77.00 -90.00  140
 25  ω   -127.00 -55.00   0.50    0.90    -- -102.00 147.00 -49.80  144
 26  ω    -68.00 -31.00   0.50    0.90    -- -102.00  61.00   0.00   74
 27  ω   -112.00 -44.00   0.50    0.90    -- -102.00 125.00-180.00  136
 28  ω   -107.00 -68.00   0.50    0.90    -- -102.00 106.00-151.51   78
 29  ω   -168.00 -33.00   0.50    0.90    -- -102.00   0.00 -90.00  270
 30  ω     93.00 118.00   0.50    0.90    --  106.06  15.00-150.00   50
 31  ω     40.00  96.00   0.50    0.90    --  106.06-125.00  90.00  112
 32  ω     43.00  71.00   0.50    0.90    --  106.06 -94.00-120.00   56
 33  ω     40.00  72.00   0.50    0.90    --  106.06 -61.00-180.00   64
 34  ω     36.00  79.00   0.50    0.90    --  106.06 -94.00-180.00   86
 35  ω     48.00  73.00   0.50    0.90    --  106.06 -61.00 150.00   50
 36  ω    134.00 175.00   0.50    0.90    --  106.06  15.00-150.00   82
 37  ω     40.00 105.00   0.50    0.90    --  106.06-125.00 -30.00  130
 38  ω    105.00 152.00   0.50    0.90    --  106.06 125.00-120.00   94
 39  ω     62.00 106.00   0.50    0.90    --  106.06-104.00 -49.49   88
 40  ω     35.00  68.00   0.50    0.90    --  106.06 -61.00   0.00   66
 41  ω     37.00 112.00   0.50    0.90    --  106.06-125.00 150.00  150
 42  ω     33.00  87.00   0.50    0.90    --  106.06 -94.00 -30.00  108
 43  ω     35.00  68.00   0.50    0.90    --  106.06 -61.00  60.00   66
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7322
_reflns_number_total             7632
_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 1.171.40.59a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.59a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.59a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.954
_refine_diff_density_min         -1.038
_refine_diff_density_rms         0.080
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     557
_refine_ls_number_reflns         7632
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0322
_refine_ls_R_factor_gt           0.0308
_refine_ls_restrained_S_all      1.101
_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)+(0.0386P)²+5.3781P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0787
_refine_ls_wR_factor_ref         0.0795
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, H14A of O14B, All N(H) groups, All O(H,H) groups, All O(H,
  H,H,H) groups
 At 1.5 times of:
  H8 of O8, H2 of O2, H6 of O6, H10 of O10, H12 of O12, H4 of O4
2. Uiso/Uaniso restraints and constraints
H14C \\sim O14B: within 2A with sigma of 0.001 and sigma for terminal atoms of
0.002 within 2A
Uanis(O16) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O14A) = Uanis(O14B)
3. Others
 Sof(O14B)=Sof(H14A)=Sof(H14B)=1-FVAR(1)
 Sof(O14A)=Sof(H14C)=Sof(H14D)=FVAR(1)
 Fixed Sof: O13(0.5) H13A(0.5) H13B(0.5) O16(0.5) H16A(0.5) H16B(0.5) O17(0.5)
 H17A(0.5) H17B(0.5) O15(0.5) H15A(0.5) H15B(0.5)
4.a Riding coordinates:
 O14B(H14A), O14A(H14C), O13(H13A,H13B), O16(H16A,H16B), O17(H17A,H17B),
 O15(H15A,H15B), O15(H14D), O15(H14B)
4.b Aromatic/amide H refined with riding coordinates:
 N2(H2A), N7(H7), N12(H12A), C1(H1), C7(H7A), C8(H8A), C10(H10A), C16(H16),
 C17(H17), C19(H19), C25(H25), C26(H26)
4.c Idealised tetrahedral OH refined as rotating group:
 O2(H2), O4(H4), O6(H6), O8(H8), O10(H10), O12(H12)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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 0.40117(2) 0.51657(2) 0.74282(2) 0.01597(6) Uani 1 1 d . . . . .
O1 O 0.52689(14) 0.43132(11) 0.72647(12) 0.0205(4) Uani 1 1 d . . . . .
O2 O 0.64171(18) 0.31190(14) 0.78180(15) 0.0337(5) Uani 1 1 d . . . . .
H2 H 0.593508 0.343483 0.771566 0.051 Uiso 1 1 calc R U . . .
O3 O 0.77725(17) 0.29323(14) 0.74508(15) 0.0342(5) Uani 1 1 d . . . . .
O4 O 0.81224(18) 0.38689(16) 0.63919(16) 0.0395(6) Uani 1 1 d . . . . .
H4 H 0.819038 0.346959 0.669154 0.059 Uiso 1 1 calc R U . . .
O5 O 0.30734(14) 0.43061(11) 0.63881(11) 0.0192(4) Uani 1 1 d . . . . .
O6 O 0.31626(15) 0.32798(13) 0.53678(13) 0.0252(4) Uani 1 1 d . . . . .
H6 H 0.332800 0.358547 0.576855 0.038 Uiso 1 1 calc R U . . .
O7 O 0.17644(17) 0.28208(15) 0.44298(14) 0.0345(5) Uani 1 1 d . . . . .
O8 O -0.00011(16) 0.32151(16) 0.45108(15) 0.0384(6) Uani 1 1 d . . . . .
H8 H 0.039782 0.303227 0.429908 0.058 Uiso 1 1 calc R U . . .
O9 O 0.53088(14) 0.61396(12) 0.78763(12) 0.0217(4) Uani 1 1 d . . . . .
O10 O 0.61462(18) 0.72988(15) 0.74002(15) 0.0379(6) Uani 1 1 d . . . . .
H10 H 0.570483 0.699606 0.745126 0.057 Uiso 1 1 calc R U . . .
O11 O 0.77919(18) 0.75323(15) 0.80198(16) 0.0408(6) Uani 1 1 d . . . . .
O12 O 0.88388(17) 0.66941(16) 0.92443(17) 0.0407(6) Uani 1 1 d . . . . .
H12 H 0.870698 0.705191 0.889135 0.061 Uiso 1 1 calc R U . . .
N1 N 0.30954(17) 0.62426(14) 0.64408(14) 0.0199(5) Uani 1 1 d . . . . .
N2 N 0.21983(18) 0.72205(15) 0.56777(15) 0.0236(5) Uani 1 1 d . . . . .
H2A H 0.171976 0.757240 0.548442 0.028 Uiso 1 1 calc R U . . .
N3 N 0.29892(19) 0.71082(15) 0.53987(15) 0.0252(5) Uani 1 1 d . . . . .
N4 N 0.43793(19) 0.61850(15) 0.57735(15) 0.0243(5) Uani 1 1 d . . . . .
N5 N 0.46882(17) 0.55782(14) 0.62608(14) 0.0208(5) Uani 1 1 d . . . . .
N6 N 0.33622(17) 0.60263(14) 0.82885(14) 0.0203(5) Uani 1 1 d . . . . .
N7 N 0.29968(19) 0.68332(15) 0.91443(15) 0.0243(5) Uani 1 1 d . . . . .
H7 H 0.307712 0.718804 0.952871 0.029 Uiso 1 1 calc R U . . .
N8 N 0.20921(19) 0.64657(15) 0.87167(15) 0.0238(5) Uani 1 1 d . . . . .
N9 N 0.16298(18) 0.55150(14) 0.76097(14) 0.0212(5) Uani 1 1 d . . . . .
N10 N 0.20768(19) 0.51228(13) 0.71827(14) 0.0191(5) Uani 1 1 d . . . . .
N11 N 0.36505(17) 0.41334(14) 0.83644(14) 0.0194(4) Uani 1 1 d . . . . .
N12 N 0.32007(19) 0.32157(16) 0.90843(15) 0.0264(5) Uani 1 1 d . . . . .
H12A H 0.282686 0.286500 0.921760 0.032 Uiso 1 1 calc R U . . .
N13 N 0.4174(2) 0.34003(17) 0.95534(16) 0.0294(6) Uani 1 1 d . . . . .
N14 N 0.53595(19) 0.43397(16) 0.93673(15) 0.0261(5) Uani 1 1 d . . . . .
N15 N 0.53787(19) 0.49012(14) 0.88604(15) 0.0214(5) Uani 1 1 d . . . . .
C1 C 0.2271(2) 0.67118(17) 0.62874(17) 0.0223(5) Uani 1 1 d . . . . .
H1 H 0.181197 0.668383 0.657099 0.027 Uiso 1 1 calc R U . . .
C2 C 0.3503(2) 0.65109(17) 0.58717(17) 0.0213(5) Uani 1 1 d . . . . .
C3 C 0.5549(2) 0.51764(17) 0.62553(18) 0.0236(6) Uani 1 1 d . . . . .
C4 C 0.5815(2) 0.45018(17) 0.68061(17) 0.0210(5) Uani 1 1 d . . . . .
C5 C 0.6696(2) 0.40433(18) 0.68474(18) 0.0235(6) Uani 1 1 d . . . . .
C6 C 0.7279(2) 0.4276(2) 0.6364(2) 0.0303(7) Uani 1 1 d . . . . .
C7 C 0.7000(3) 0.4951(2) 0.5827(2) 0.0348(7) Uani 1 1 d . . . . .
H7A H 0.739255 0.509603 0.550811 0.042 Uiso 1 1 calc R U . . .
C8 C 0.6151(2) 0.5388(2) 0.57761(19) 0.0288(6) Uani 1 1 d . . . . .
H8A H 0.596718 0.583234 0.542077 0.035 Uiso 1 1 calc R U . . .
C9 C 0.7004(2) 0.33315(19) 0.73925(19) 0.0269(6) Uani 1 1 d . . . . .
C10 C 0.3731(2) 0.65703(17) 0.88880(17) 0.0224(6) Uani 1 1 d . . . . .
H10A H 0.440646 0.674051 0.909622 0.027 Uiso 1 1 calc R U . . .
C11 C 0.2359(2) 0.59872(16) 0.82050(16) 0.0196(5) Uani 1 1 d . . . . .
C12 C 0.1487(2) 0.46518(16) 0.65293(17) 0.0192(5) Uani 1 1 d . . . . .
C13 C 0.2079(2) 0.42400(16) 0.61252(16) 0.0182(5) Uani 1 1 d . . . . .
C14 C 0.1572(2) 0.37442(17) 0.54315(17) 0.0215(5) Uani 1 1 d . . . . .
C15 C 0.0508(2) 0.36765(19) 0.51627(19) 0.0274(6) Uani 1 1 d . . . . .
C16 C -0.0064(2) 0.4079(2) 0.5581(2) 0.0292(7) Uani 1 1 d . . . . .
H16 H -0.076831 0.402001 0.540209 0.035 Uiso 1 1 calc R U . . .
C17 C 0.0427(2) 0.45582(18) 0.62539(18) 0.0237(6) Uani 1 1 d . . . . .
H17 H 0.004973 0.482381 0.652979 0.028 Uiso 1 1 calc R U . . .
C18 C 0.2167(2) 0.32562(18) 0.50389(19) 0.0249(6) Uani 1 1 d . . . . .
C19 C 0.2903(2) 0.36485(18) 0.83932(18) 0.0233(6) Uani 1 1 d . . . . .
H19 H 0.226219 0.361702 0.798620 0.028 Uiso 1 1 calc R U . . .
C20 C 0.4408(2) 0.39598(18) 0.90961(18) 0.0237(6) Uani 1 1 d . . . . .
C21 C 0.6274(2) 0.53340(18) 0.90179(18) 0.0237(6) Uani 1 1 d . . . . .
C22 C 0.6181(2) 0.59824(17) 0.84556(17) 0.0211(5) Uani 1 1 d . . . . .
C23 C 0.7063(2) 0.64576(18) 0.85397(19) 0.0256(6) Uani 1 1 d . . . . .
C24 C 0.7987(2) 0.6265(2) 0.9164(2) 0.0316(7) Uani 1 1 d . . . . .
C25 C 0.8059(3) 0.5628(2) 0.9724(2) 0.0376(8) Uani 1 1 d . . . . .
H25 H 0.867354 0.551639 1.014252 0.045 Uiso 1 1 calc R U . . .
C26 C 0.7206(3) 0.5170(2) 0.9645(2) 0.0332(7) Uani 1 1 d . . . . .
H26 H 0.724749 0.474594 1.001194 0.040 Uiso 1 1 calc R U . . .
C27 C 0.7025(2) 0.7126(2) 0.7970(2) 0.0310(7) Uani 1 1 d . . . . .
O14B O 0.0960(18) 0.8580(17) 0.537(2) 0.0394(9) Uani 0.101(7) 1 d . U P A 2
H14A H 0.045038 0.872847 0.496074 0.047 Uiso 0.101(7) 1 d R U P A 2
O14A O 0.09862(19) 0.84913(18) 0.4890(2) 0.0394(9) Uani 0.899(7) 1 d . . P A 1
H14C H 0.034878 0.839123 0.471360 0.0394(11) Uani 0.899(7) 1 d R U P A 1
O13 O 0.0575(7) 0.9511(6) 0.6386(5) 0.092(3) Uani 0.5 1 d . . P . .
H13A H 0.075702 0.929924 0.602922 0.111 Uiso 0.5 1 d R U P . .
H13B H 0.028492 0.919405 0.660592 0.111 Uiso 0.5 1 d R U P . .
O16 O 0.9978(6) 0.7156(6) 0.8008(7) 0.105(3) Uani 0.5 1 d . U P . .
H16A H 0.950217 0.742178 0.805839 0.127 Uiso 0.5 1 d R U P . .
H16B H 1.052907 0.724318 0.841209 0.127 Uiso 0.5 1 d R U P . .
O17 O 0.0481(6) 0.1625(6) 0.3131(6) 0.101(3) Uani 0.5 1 d . . P . .
H17A H 0.004294 0.207149 0.292103 0.122 Uiso 0.5 1 d R U P . .
H17B H 0.100064 0.185499 0.345663 0.122 Uiso 0.5 1 d R U P . .
O15 O 0.8826(9) 0.5772(6) 0.7482(6) 0.123(4) Uani 0.5 1 d . . P . .
H15A H 0.919731 0.619145 0.764373 0.148 Uiso 0.5 1 d R U P . .
H15B H 0.903142 0.539665 0.782113 0.148 Uiso 0.5 1 d R U P . .
H14D H 0.115791 0.858425 0.445763 0.148 Uiso 0.899(7) 1 d R U P A 1
H14B H 0.150292 0.876875 0.530433 0.148 Uiso 0.101(7) 1 d R U P A 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 O1 2.3374(18) . ?
Dy1 O5 2.3047(18) . ?
Dy1 O9 2.3413(19) . ?
Dy1 N1 2.484(2) . ?
Dy1 N5 2.586(2) . ?
Dy1 N6 2.436(2) . ?
Dy1 N10 2.588(2) . ?
Dy1 N11 2.507(2) . ?
Dy1 N15 2.585(2) . ?
O1 C4 1.309(3) . ?
O2 H2 0.8200 . ?
O2 C9 1.320(4) . ?
O3 C9 1.232(4) . ?
O4 H4 0.8200 . ?
O4 C6 1.341(4) . ?
O5 C13 1.309(3) . ?
O6 H6 0.8200 . ?
O6 C18 1.309(4) . ?
O7 C18 1.234(4) . ?
O8 H8 0.8200 . ?
O8 C15 1.339(4) . ?
O9 C22 1.308(3) . ?
O10 H10 0.8200 . ?
O10 C27 1.313(4) . ?
O11 C27 1.239(4) . ?
O12 H12 0.8200 . ?
O12 C24 1.349(4) . ?
N1 C1 1.335(4) . ?
N1 C2 1.364(4) . ?
N2 H2A 0.8600 . ?
N2 N3 1.359(3) . ?
N2 C1 1.318(4) . ?
N3 C2 1.320(4) . ?
N4 N5 1.279(3) . ?
N4 C2 1.397(4) . ?
N5 C3 1.375(4) . ?
N6 C10 1.329(4) . ?
N6 C11 1.360(4) . ?
N7 H7 0.8600 . ?
N7 N8 1.366(3) . ?
N7 C10 1.320(4) . ?
N8 C11 1.326(4) . ?
N9 N10 1.288(3) . ?
N9 C11 1.405(4) . ?
N10 C12 1.381(4) . ?
N11 C19 1.328(4) . ?
N11 C20 1.369(4) . ?
N12 H12A 0.8600 . ?
N12 N13 1.357(4) . ?
N12 C19 1.325(4) . ?
N13 C20 1.322(4) . ?
N14 N15 1.277(3) . ?
N14 C20 1.395(4) . ?
N15 C21 1.382(4) . ?
C1 H1 0.9300 . ?
C3 C4 1.423(4) . ?
C3 C8 1.408(4) . ?
C4 C5 1.424(4) . ?
C5 C6 1.402(4) . ?
C5 C9 1.469(4) . ?
C6 C7 1.411(5) . ?
C7 H7A 0.9300 . ?
C7 C8 1.364(5) . ?
C8 H8A 0.9300 . ?
C10 H10A 0.9300 . ?
C12 C13 1.421(4) . ?
C12 C17 1.400(4) . ?
C13 C14 1.418(4) . ?
C14 C15 1.401(4) . ?
C14 C18 1.475(4) . ?
C15 C16 1.409(4) . ?
C16 H16 0.9300 . ?
C16 C17 1.375(4) . ?
C17 H17 0.9300 . ?
C19 H19 0.9300 . ?
C21 C22 1.416(4) . ?
C21 C26 1.403(4) . ?
C22 C23 1.424(4) . ?
C23 C24 1.403(4) . ?
C23 C27 1.462(4) . ?
C24 C25 1.404(5) . ?
C25 H25 0.9300 . ?
C25 C26 1.375(5) . ?
C26 H26 0.9300 . ?
O14B H14A 0.8501 . ?
O14B H14B 0.8639 . ?
O14A H14C 0.8522 . ?
O14A H14D 0.8697 . ?
O13 H13A 0.8191 . ?
O13 H13B 0.8271 . ?
O16 H16A 0.8247 . ?
O16 H16B 0.8538 . ?
O17 H17A 0.9442 . ?
O17 H17B 0.8401 . ?
O15 H15A 0.8510 . ?
O15 H15B 0.8298 . ?

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 O9 85.51(7) . . ?
O1 Dy1 N1 125.25(7) . . ?
O1 Dy1 N5 64.83(7) . . ?
O1 Dy1 N6 150.76(7) . . ?
O1 Dy1 N10 138.49(7) . . ?
O1 Dy1 N11 89.77(7) . . ?
O1 Dy1 N15 70.99(7) . . ?
O5 Dy1 O1 77.84(7) . . ?
O5 Dy1 O9 147.68(7) . . ?
O5 Dy1 N1 83.29(7) . . ?
O5 Dy1 N5 79.58(7) . . ?
O5 Dy1 N6 126.67(7) . . ?
O5 Dy1 N10 64.69(7) . . ?
O5 Dy1 N11 84.14(7) . . ?
O5 Dy1 N15 132.45(7) . . ?
O9 Dy1 N1 84.09(7) . . ?
O9 Dy1 N5 68.25(7) . . ?
O9 Dy1 N6 79.02(7) . . ?
O9 Dy1 N10 135.95(7) . . ?
O9 Dy1 N11 123.67(7) . . ?
O9 Dy1 N15 64.27(7) . . ?
N1 Dy1 N5 61.39(7) . . ?
N1 Dy1 N10 69.11(7) . . ?
N1 Dy1 N11 138.78(7) . . ?
N1 Dy1 N15 144.21(8) . . ?
N5 Dy1 N10 121.25(7) . . ?
N6 Dy1 N1 77.88(8) . . ?
N6 Dy1 N5 129.10(8) . . ?
N6 Dy1 N10 61.98(7) . . ?
N6 Dy1 N11 78.70(8) . . ?
N6 Dy1 N15 79.94(8) . . ?
N11 Dy1 N5 152.13(7) . . ?
N11 Dy1 N10 70.01(7) . . ?
N11 Dy1 N15 61.24(7) . . ?
N15 Dy1 N5 115.97(7) . . ?
N15 Dy1 N10 122.65(7) . . ?
C4 O1 Dy1 123.18(17) . . ?
C9 O2 H2 109.5 . . ?
C6 O4 H4 109.5 . . ?
C13 O5 Dy1 124.96(16) . . ?
C18 O6 H6 109.5 . . ?
C15 O8 H8 109.5 . . ?
C22 O9 Dy1 121.93(17) . . ?
C27 O10 H10 109.5 . . ?
C24 O12 H12 109.5 . . ?
C1 N1 Dy1 138.98(19) . . ?
C1 N1 C2 102.4(2) . . ?
C2 N1 Dy1 118.54(18) . . ?
N3 N2 H2A 124.9 . . ?
C1 N2 H2A 124.9 . . ?
C1 N2 N3 110.2(2) . . ?
C2 N3 N2 102.7(2) . . ?
N5 N4 C2 109.4(2) . . ?
N4 N5 Dy1 125.65(18) . . ?
N4 N5 C3 118.0(2) . . ?
C3 N5 Dy1 115.61(17) . . ?
C10 N6 Dy1 137.47(19) . . ?
C10 N6 C11 103.0(2) . . ?
C11 N6 Dy1 119.51(17) . . ?
N8 N7 H7 124.6 . . ?
C10 N7 H7 124.6 . . ?
C10 N7 N8 110.8(2) . . ?
C11 N8 N7 101.7(2) . . ?
N10 N9 C11 108.7(2) . . ?
N9 N10 Dy1 125.15(17) . . ?
N9 N10 C12 118.4(2) . . ?
C12 N10 Dy1 116.49(17) . . ?
C19 N11 Dy1 139.83(19) . . ?
C19 N11 C20 102.1(2) . . ?
C20 N11 Dy1 118.04(18) . . ?
N13 N12 H12A 124.6 . . ?
C19 N12 H12A 124.6 . . ?
C19 N12 N13 110.9(2) . . ?
C20 N13 N12 101.7(2) . . ?
N15 N14 C20 109.6(2) . . ?
N14 N15 Dy1 126.27(19) . . ?
N14 N15 C21 117.9(2) . . ?
C21 N15 Dy1 115.03(18) . . ?
N1 C1 H1 124.8 . . ?
N2 C1 N1 110.5(2) . . ?
N2 C1 H1 124.8 . . ?
N1 C2 N4 124.1(2) . . ?
N3 C2 N1 114.2(2) . . ?
N3 C2 N4 121.6(2) . . ?
N5 C3 C4 113.5(3) . . ?
N5 C3 C8 125.7(3) . . ?
C8 C3 C4 120.7(3) . . ?
O1 C4 C3 120.9(3) . . ?
O1 C4 C5 121.1(3) . . ?
C3 C4 C5 118.0(3) . . ?
C4 C5 C9 120.9(3) . . ?
C6 C5 C4 119.6(3) . . ?
C6 C5 C9 119.6(3) . . ?
O4 C6 C5 121.6(3) . . ?
O4 C6 C7 117.3(3) . . ?
C5 C6 C7 121.1(3) . . ?
C6 C7 H7A 120.1 . . ?
C8 C7 C6 119.8(3) . . ?
C8 C7 H7A 120.1 . . ?
C3 C8 H8A 119.6 . . ?
C7 C8 C3 120.8(3) . . ?
C7 C8 H8A 119.6 . . ?
O2 C9 C5 117.6(3) . . ?
O3 C9 O2 120.2(3) . . ?
O3 C9 C5 122.2(3) . . ?
N6 C10 H10A 125.0 . . ?
N7 C10 N6 110.0(3) . . ?
N7 C10 H10A 125.0 . . ?
N6 C11 N9 124.5(2) . . ?
N8 C11 N6 114.5(2) . . ?
N8 C11 N9 120.9(2) . . ?
N10 C12 C13 112.4(2) . . ?
N10 C12 C17 127.1(3) . . ?
C17 C12 C13 120.5(2) . . ?
O5 C13 C12 121.1(2) . . ?
O5 C13 C14 120.2(2) . . ?
C14 C13 C12 118.6(2) . . ?
C13 C14 C18 120.0(2) . . ?
C15 C14 C13 119.4(2) . . ?
C15 C14 C18 120.4(3) . . ?
O8 C15 C14 121.4(3) . . ?
O8 C15 C16 117.5(3) . . ?
C14 C15 C16 121.1(3) . . ?
C15 C16 H16 120.2 . . ?
C17 C16 C15 119.6(3) . . ?
C17 C16 H16 120.2 . . ?
C12 C17 H17 119.6 . . ?
C16 C17 C12 120.8(3) . . ?
C16 C17 H17 119.6 . . ?
O6 C18 C14 117.8(2) . . ?
O7 C18 O6 119.5(3) . . ?
O7 C18 C14 122.7(3) . . ?
N11 C19 H19 124.8 . . ?
N12 C19 N11 110.3(3) . . ?
N12 C19 H19 124.8 . . ?
N11 C20 N14 124.2(2) . . ?
N13 C20 N11 115.0(3) . . ?
N13 C20 N14 120.9(3) . . ?
N15 C21 C22 112.9(3) . . ?
N15 C21 C26 126.2(3) . . ?
C26 C21 C22 120.9(3) . . ?
O9 C22 C21 120.9(3) . . ?
O9 C22 C23 121.1(3) . . ?
C21 C22 C23 118.1(3) . . ?
C22 C23 C27 120.9(3) . . ?
C24 C23 C22 119.3(3) . . ?
C24 C23 C27 119.8(3) . . ?
O12 C24 C23 120.4(3) . . ?
O12 C24 C25 117.8(3) . . ?
C23 C24 C25 121.7(3) . . ?
C24 C25 H25 120.5 . . ?
C26 C25 C24 118.9(3) . . ?
C26 C25 H25 120.5 . . ?
C21 C26 H26 119.5 . . ?
C25 C26 C21 121.1(3) . . ?
C25 C26 H26 119.5 . . ?
O10 C27 C23 118.3(3) . . ?
O11 C27 O10 120.0(3) . . ?
O11 C27 C23 121.8(3) . . ?
H14A O14B H14B 107.8 . . ?
H14C O14A H14D 106.8 . . ?
H13A O13 H13B 113.6 . . ?
H16A O16 H16B 111.0 . . ?
H17A O17 H17B 101.7 . . ?
H15A O15 H15B 110.3 . . ?

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 C4 C3 -11.7(4) . . . . ?
Dy1 O1 C4 C5 167.8(2) . . . . ?
Dy1 O5 C13 C12 -6.3(3) . . . . ?
Dy1 O5 C13 C14 174.40(19) . . . . ?
Dy1 O9 C22 C21 -20.6(4) . . . . ?
Dy1 O9 C22 C23 159.4(2) . . . . ?
Dy1 N1 C1 N2 176.7(2) . . . . ?
Dy1 N1 C2 N3 -177.08(19) . . . . ?
Dy1 N1 C2 N4 4.0(4) . . . . ?
Dy1 N5 C3 C4 10.5(3) . . . . ?
Dy1 N5 C3 C8 -168.6(3) . . . . ?
Dy1 N6 C10 N7 -178.3(2) . . . . ?
Dy1 N6 C11 N8 178.40(18) . . . . ?
Dy1 N6 C11 N9 -4.3(4) . . . . ?
Dy1 N10 C12 C13 2.6(3) . . . . ?
Dy1 N10 C12 C17 -177.2(2) . . . . ?
Dy1 N11 C19 N12 179.0(2) . . . . ?
Dy1 N11 C20 N13 -178.8(2) . . . . ?
Dy1 N11 C20 N14 2.1(4) . . . . ?
Dy1 N15 C21 C22 14.6(3) . . . . ?
Dy1 N15 C21 C26 -164.0(3) . . . . ?
O1 C4 C5 C6 -178.2(3) . . . . ?
O1 C4 C5 C9 1.5(4) . . . . ?
O4 C6 C7 C8 -179.8(3) . . . . ?
O5 C13 C14 C15 179.6(3) . . . . ?
O5 C13 C14 C18 4.2(4) . . . . ?
O8 C15 C16 C17 179.9(3) . . . . ?
O9 C22 C23 C24 -179.4(3) . . . . ?
O9 C22 C23 C27 -1.2(4) . . . . ?
O12 C24 C25 C26 -178.7(3) . . . . ?
N2 N3 C2 N1 -0.7(3) . . . . ?
N2 N3 C2 N4 178.3(3) . . . . ?
N3 N2 C1 N1 -0.2(3) . . . . ?
N4 N5 C3 C4 -178.8(2) . . . . ?
N4 N5 C3 C8 2.2(4) . . . . ?
N5 N4 C2 N1 3.7(4) . . . . ?
N5 N4 C2 N3 -175.2(3) . . . . ?
N5 C3 C4 O1 -0.5(4) . . . . ?
N5 C3 C4 C5 180.0(3) . . . . ?
N5 C3 C8 C7 179.2(3) . . . . ?
N7 N8 C11 N6 0.5(3) . . . . ?
N7 N8 C11 N9 -176.9(2) . . . . ?
N8 N7 C10 N6 0.1(3) . . . . ?
N9 N10 C12 C13 -178.7(2) . . . . ?
N9 N10 C12 C17 1.5(4) . . . . ?
N10 N9 C11 N6 1.4(4) . . . . ?
N10 N9 C11 N8 178.5(2) . . . . ?
N10 C12 C13 O5 1.8(4) . . . . ?
N10 C12 C13 C14 -178.9(2) . . . . ?
N10 C12 C17 C16 178.7(3) . . . . ?
N12 N13 C20 N11 -0.8(3) . . . . ?
N12 N13 C20 N14 178.3(3) . . . . ?
N13 N12 C19 N11 0.2(4) . . . . ?
N14 N15 C21 C22 -175.1(3) . . . . ?
N14 N15 C21 C26 6.3(5) . . . . ?
N15 N14 C20 N11 4.4(4) . . . . ?
N15 N14 C20 N13 -174.5(3) . . . . ?
N15 C21 C22 O9 2.0(4) . . . . ?
N15 C21 C22 C23 -178.1(3) . . . . ?
N15 C21 C26 C25 177.7(3) . . . . ?
C1 N1 C2 N3 0.6(3) . . . . ?
C1 N1 C2 N4 -178.3(3) . . . . ?
C1 N2 N3 C2 0.5(3) . . . . ?
C2 N1 C1 N2 -0.2(3) . . . . ?
C2 N4 N5 Dy1 -10.0(3) . . . . ?
C2 N4 N5 C3 -179.8(2) . . . . ?
C3 C4 C5 C6 1.3(4) . . . . ?
C3 C4 C5 C9 -179.0(3) . . . . ?
C4 C3 C8 C7 0.2(5) . . . . ?
C4 C5 C6 O4 179.1(3) . . . . ?
C4 C5 C6 C7 -1.0(5) . . . . ?
C4 C5 C9 O2 2.3(4) . . . . ?
C4 C5 C9 O3 -178.7(3) . . . . ?
C5 C6 C7 C8 0.3(5) . . . . ?
C6 C5 C9 O2 -178.0(3) . . . . ?
C6 C5 C9 O3 1.0(5) . . . . ?
C6 C7 C8 C3 0.1(5) . . . . ?
C8 C3 C4 O1 178.6(3) . . . . ?
C8 C3 C4 C5 -0.9(4) . . . . ?
C9 C5 C6 O4 -0.7(5) . . . . ?
C9 C5 C6 C7 179.3(3) . . . . ?
C10 N6 C11 N8 -0.5(3) . . . . ?
C10 N6 C11 N9 176.8(3) . . . . ?
C10 N7 N8 C11 -0.3(3) . . . . ?
C11 N6 C10 N7 0.2(3) . . . . ?
C11 N9 N10 Dy1 2.1(3) . . . . ?
C11 N9 N10 C12 -176.5(2) . . . . ?
C12 C13 C14 C15 0.3(4) . . . . ?
C12 C13 C14 C18 -175.1(3) . . . . ?
C13 C12 C17 C16 -1.1(5) . . . . ?
C13 C14 C15 O8 -180.0(3) . . . . ?
C13 C14 C15 C16 -1.4(5) . . . . ?
C13 C14 C18 O6 2.1(4) . . . . ?
C13 C14 C18 O7 -179.3(3) . . . . ?
C14 C15 C16 C17 1.3(5) . . . . ?
C15 C14 C18 O6 -173.2(3) . . . . ?
C15 C14 C18 O7 5.4(5) . . . . ?
C15 C16 C17 C12 0.0(5) . . . . ?
C17 C12 C13 O5 -178.3(3) . . . . ?
C17 C12 C13 C14 1.0(4) . . . . ?
C18 C14 C15 O8 -4.7(5) . . . . ?
C18 C14 C15 C16 173.9(3) . . . . ?
C19 N11 C20 N13 0.9(3) . . . . ?
C19 N11 C20 N14 -178.1(3) . . . . ?
C19 N12 N13 C20 0.3(3) . . . . ?
C20 N11 C19 N12 -0.6(3) . . . . ?
C20 N14 N15 Dy1 -9.4(3) . . . . ?
C20 N14 N15 C21 -178.5(3) . . . . ?
C21 C22 C23 C24 0.6(4) . . . . ?
C21 C22 C23 C27 178.8(3) . . . . ?
C22 C21 C26 C25 -0.9(5) . . . . ?
C22 C23 C24 O12 178.5(3) . . . . ?
C22 C23 C24 C25 -1.8(5) . . . . ?
C22 C23 C27 O10 2.8(5) . . . . ?
C22 C23 C27 O11 -178.0(3) . . . . ?
C23 C24 C25 C26 1.5(6) . . . . ?
C24 C23 C27 O10 -179.0(3) . . . . ?
C24 C23 C27 O11 0.1(5) . . . . ?
C24 C25 C26 C21 -0.2(6) . . . . ?
C26 C21 C22 O9 -179.3(3) . . . . ?
C26 C21 C22 C23 0.6(4) . . . . ?
C27 C23 C24 O12 0.3(5) . . . . ?
C27 C23 C24 C25 -179.9(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
####################################################################### 
# 
# 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_exp_646
_database_code_depnum_ccdc_archive 'CCDC 2098135'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Chen'
;Guangzhou University
China
;
_audit_update_record             
;
2021-08-26 deposited with the CCDC.	2021-08-30 downloaded from the CCDC.
;
_audit_creation_date             2021-08-25
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H28 Dy2 N10 O20, 5(H2 O), 2(C2 H3 N)'
_chemical_formula_sum            'C36 H44 Dy2 N12 O25'
_chemical_formula_weight         1369.83
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N Dy'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.6507(3)
_cell_length_b                   11.3380(2)
_cell_length_c                   11.8034(4)
_cell_angle_alpha                103.705(2)
_cell_angle_beta                 90.636(2)
_cell_angle_gamma                106.159(2)
_cell_volume                     1201.07(6)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9688
_cell_measurement_temperature    105.88(10)
_cell_measurement_theta_max      75.7670
_cell_measurement_theta_min      3.8760
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    17.346
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.17858
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.59a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.894
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             676
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-2 -6 1 0.1294
-1 -3 7 0.0915
1 0 7 0.0496
0 0 -7 0.0325
0 0 7 0.0548
6 0 2 0.1026
1 -7 3 0.1193
-3 -3 6 0.1163
-5 -2 -1 0.1179
-4 6 -4 0.0805
3 5 -1 0.1453
2 6 -1 0.1447
3 5 -5 0.1302
-2 2 6 0.0556
2 -3 -6 0.0545
0 -6 -3 0.0998
-6 0 0 0.1071
5 -5 4 0.0818

_exptl_crystal_size_max          0.287
_exptl_crystal_size_mid          0.199
_exptl_crystal_size_min          0.092
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-1.5327 -6.2844 0.8443 -0.0194 -0.0894 0.9958
-0.5115 -3.2933 7.3843 0.6166 0.6507 0.4432
1.3483 0.4307 6.9320 0.7401 0.6306 -0.2337
-0.4429 0.2200 -7.4136 -0.6872 -0.7235 0.0657
-0.1950 0.1513 7.3930 0.6083 0.7916 -0.0586
5.5288 -0.1026 2.4569 0.8380 -0.2028 -0.5066
0.6499 -7.1757 2.8975 0.4151 -0.0978 0.9045
-3.2393 -2.9258 5.9010 0.1759 0.7378 0.6517
-4.9421 -2.0116 -1.4580 -0.6584 0.1567 0.7361
-4.4778 5.5485 -3.9679 -0.9192 0.2220 -0.3253
2.8994 5.2276 -0.5980 0.2091 -0.0480 -0.9767
1.6538 6.2417 -1.1279 0.0094 0.0479 -0.9988
2.9142 4.6061 -4.5599 -0.1199 -0.4909 -0.8629
-2.3554 2.4898 6.1990 0.2308 0.9572 -0.1745
2.3503 -2.5172 -6.1852 -0.2299 -0.9567 0.1786
0.1808 -5.8182 -2.7390 -0.1378 -0.5797 0.8031
-5.9355 -0.0672 -0.4652 -0.7115 0.4350 0.5519
4.9427 -4.7868 3.9062 0.9567 -0.2298 0.1789

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0604
_diffrn_reflns_av_unetI/netI     0.0519
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.957
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            14773
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.957
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.391
_diffrn_reflns_theta_min         3.868
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      105.88(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     24.00 117.00   0.50    0.05    --   45.87  77.00 -90.00  186
  2  ω     92.00 119.00   0.50    0.05    --   45.87  77.00-150.00   54
  3  ω     69.00  94.00   0.50    0.05    --   45.87 142.00-101.00   50
  4  ω     24.00  87.00   0.50    0.05    --   45.87  77.00-150.00  126
  5  ω     90.00 178.00   0.50    0.05    --  106.06  15.00 -30.00  176
  6  ω    117.00 164.00   0.50    0.05    --  106.06  45.00   0.00   94
  7  ω     95.00 120.00   0.50    0.05    --  106.06 142.00-101.00   50
  8  ω     85.00 128.00   0.50    0.05    --  106.06 127.00  88.00   86
  9  ω     37.00  73.00   0.50    0.05    --  106.06 -61.00-150.00   72
 10  ω     68.00 102.00   0.50    0.05    --  106.06 -94.00-150.00   68
 11  ω     92.00 123.00   0.50    0.05    --  106.06-142.00-157.00   62
 12  ω     55.00 111.00   0.50    0.05    --  106.06-125.00-120.00  112
 13  ω     58.00 112.00   0.50    0.05    --  106.06-125.00 -30.00  108
 14  ω     71.00  97.00   0.50    0.05    --  106.06 -94.00  30.00   52
 15  ω     46.00 112.00   0.50    0.05    --  106.06-127.00  12.00  132
 16  ω     53.00  93.00   0.50    0.05    --   45.87-127.00  12.00   80
 17  ω     36.00 111.00   0.50    0.05    --  106.06-125.00  30.00  150
 18  ω     34.00  66.00   0.50    0.05    --  106.06 -94.00  30.00   64
 19  ω     33.00  69.00   0.50    0.05    --  106.06 -61.00  30.00   72
 20  ω     34.00  73.00   0.50    0.05    --  106.06 -61.00 150.00   78
 21  ω     40.00  73.00   0.50    0.05    --  106.06 -61.00-120.00   66
 22  ω     33.00  67.00   0.50    0.05    --  106.06 -77.00-150.00   68
 23  ω     47.00  87.00   0.50    0.05    --  106.06-142.00-157.00   80
 24  ω     35.00 100.00   0.50    0.05    --   45.87-142.00-157.00  130
 25  ω    -55.00 -29.00   0.50    0.05    -- -102.00  61.00 120.00   52
 26  ω    -68.00 -30.00   0.50    0.05    -- -102.00  61.00  60.00   76
 27  ω    -88.00 -38.00   0.50    0.05    --  -45.87 127.00  88.00  100
 28  ω    -63.00 -31.00   0.50    0.05    -- -102.00  61.00-150.00   64
 29  ω    -86.00 -61.00   0.50    0.05    --  -45.87 142.00-101.00   50
 30  ω   -124.00 -98.00   0.50    0.05    -- -102.00 142.00-101.00   52
 31  ω   -111.00 -35.00   0.50    0.05    -- -102.00 127.00  88.00  152
 32  ω    -97.00 -29.00   0.50    0.05    -- -102.00  77.00 120.00  136
 33  ω   -141.00 -93.00   0.50    0.05    -- -102.00 -30.00  60.00   96
 34  ω   -104.00 -78.00   0.50    0.05    --  -45.87-127.00  12.00   52
 35  ω   -101.00 -76.00   0.50    0.05    --  -45.87-125.00  30.00   50
 36  ω   -111.00 -86.00   0.50    0.05    --  -45.87-125.00  90.00   50
 37  ω   -110.00 -85.00   0.50    0.05    -- -102.00-127.00  12.00   50
 38  ω   -145.00-112.00   0.50    0.05    -- -102.00 -77.00 -60.00   66
 39  ω   -117.00 -63.00   0.50    0.05    --  -45.87-142.00-157.00  108
 40  ω   -142.00-116.00   0.50    0.05    -- -102.00-142.00-157.00   52
 41  ω   -172.00 -29.00   0.50    0.05    -- -102.00   0.00-180.00  286
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1133099000
_diffrn_orient_matrix_UB_12      -0.0130545000
_diffrn_orient_matrix_UB_13      0.0855329000
_diffrn_orient_matrix_UB_21      -0.0819719000
_diffrn_orient_matrix_UB_22      0.0481737000
_diffrn_orient_matrix_UB_23      0.1039214000
_diffrn_orient_matrix_UB_31      -0.0908461000
_diffrn_orient_matrix_UB_32      -0.1373102000
_diffrn_orient_matrix_UB_33      -0.0075151000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4539
_reflns_number_total             4814
_reflns_odcompleteness_completeness 99.98
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 1.171.40.59a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.59a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.59a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.654
_refine_diff_density_min         -1.277
_refine_diff_density_rms         0.147
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     350
_refine_ls_number_reflns         4814
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0419
_refine_ls_restrained_S_all      1.080
_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)+(0.0827P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1138
_refine_ls_wR_factor_ref         0.1150
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H9A,H9B} of O9, H13B of O13, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, H8 of O8, H5 of O5, {H10A,H10B} of O10, H1 of O1,
  {H11A,H11B} of O11, {H12A,H12B} of O12, H13A of O13
2. Restrained distances
 O9-H9B
 0.85 with sigma of 0.02
 H10B-H9B
 3 with sigma of 0.02
 H9B-H9A
 1.38 with sigma of 0.02
 O10-H9B
 3 with sigma of 0.02
3. Others
 Fixed Sof: O11(0.5) H11A(0.5) H11B(0.5)
4.a Riding coordinates:
 O9(H9A,H9B), O10(H10A,H10B), O12(H12A,H12B), O13(H13A,H13B)
4.b Free rotating group:
 O11(H11A,H11B)
4.c Aromatic/amide H refined with riding coordinates:
 N5(H5A), C4(H4), C5(H5B), C9(H9), C13(H13), C14(H14), C15(H15)
4.d Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C)
4.e Idealised tetrahedral OH refined as rotating group:
 O1(H1), O5(H5), O8(H8)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.58058(2) 0.67669(2) 0.55479(2) 0.01613(11) Uani 1 1 d . . . . .
O1 O 1.1277(3) 0.5828(3) 0.6901(3) 0.0241(6) Uani 1 1 d . . . . .
H1 H 1.138079 0.641636 0.658741 0.036 Uiso 1 1 calc R U . . .
O2 O 1.0580(3) 0.7241(3) 0.5846(3) 0.0228(6) Uani 1 1 d . . . . .
O3 O 0.8282(3) 0.7182(3) 0.5600(3) 0.0210(6) Uani 1 1 d . . . . .
O4 O 0.6359(3) 0.4805(3) 0.5318(2) 0.0166(5) Uani 1 1 d . . . . .
O5 O 0.5347(4) 0.2952(3) 0.0808(3) 0.0322(8) Uani 1 1 d . . . . .
H5 H 0.488583 0.306309 0.138334 0.048 Uiso 1 1 calc R U . . .
O6 O 0.5132(3) 0.4145(3) 0.2883(2) 0.0212(6) Uani 1 1 d . . . . .
O7 O 0.6308(3) 0.6204(3) 0.3541(3) 0.0212(6) Uani 1 1 d . . . . .
O8 O 0.7508(5) 0.7474(3) 0.2148(3) 0.0355(8) Uani 1 1 d . . . . .
H8 H 0.719810 0.733819 0.276346 0.053 Uiso 1 1 calc R U . . .
O9 O 0.4028(3) 0.7742(3) 0.6521(3) 0.0220(6) Uani 1 1 d D . . . .
H9A H 0.405045 0.842451 0.633099 0.026 Uiso 1 1 d DR U . . .
H9B H 0.356075 0.753031 0.702059 0.026 Uiso 1 1 d DR U . . .
O10 O 0.6852(3) 0.8216(3) 0.7425(3) 0.0266(7) Uani 1 1 d D . . . .
H10A H 0.766534 0.818259 0.767930 0.040 Uiso 1 1 d R U . . .
H10B H 0.661944 0.881309 0.781440 0.040 Uiso 1 1 d DR U . . .
N1 N 0.5788(4) 0.2612(3) 0.5871(3) 0.0179(7) Uani 1 1 d . . . . .
N2 N 0.5411(4) 0.1578(3) 0.6226(3) 0.0190(7) Uani 1 1 d . . . . .
N3 N 0.3244(4) 0.1161(3) 0.4951(3) 0.0201(7) Uani 1 1 d . . . . .
N4 N 0.3346(4) -0.0184(3) 0.6063(3) 0.0195(7) Uani 1 1 d . . . . .
N5 N 0.2061(4) -0.0575(3) 0.5411(3) 0.0214(7) Uani 1 1 d . . . . .
H5A H 0.137424 -0.124678 0.541505 0.026 Uiso 1 1 calc R U . . .
C1 C 0.9226(5) 0.6696(4) 0.5832(4) 0.0191(8) Uani 1 1 d . . . . .
C2 C 0.8840(4) 0.5452(4) 0.6148(3) 0.0171(8) Uani 1 1 d . . . . .
C3 C 0.9909(5) 0.5105(4) 0.6701(4) 0.0205(8) Uani 1 1 d . . . . .
C4 C 0.9578(5) 0.3978(4) 0.7097(4) 0.0216(8) Uani 1 1 d . . . . .
H4 H 1.028209 0.380255 0.751992 0.026 Uiso 1 1 calc R U . . .
C5 C 0.8219(5) 0.3155(4) 0.6854(4) 0.0213(8) Uani 1 1 d . . . . .
H5B H 0.800197 0.241071 0.710385 0.026 Uiso 1 1 calc R U . . .
C6 C 0.7136(4) 0.3421(4) 0.6225(4) 0.0184(8) Uani 1 1 d . . . . .
C7 C 0.7410(4) 0.4589(4) 0.5873(3) 0.0163(7) Uani 1 1 d . . . . .
C8 C 0.4018(4) 0.0863(4) 0.5753(4) 0.0184(8) Uani 1 1 d . . . . .
C9 C 0.2013(5) 0.0233(4) 0.4763(4) 0.0219(8) Uani 1 1 d . . . . .
H9 H 0.123221 0.015489 0.425372 0.026 Uiso 1 1 calc R U . . .
C10 C 0.5929(4) 0.5182(4) 0.2731(4) 0.0198(8) Uani 1 1 d . . . . .
C11 C 0.6421(5) 0.5215(4) 0.1552(4) 0.0222(9) Uani 1 1 d . . . . .
C12 C 0.7196(5) 0.6357(5) 0.1308(4) 0.0279(10) Uani 1 1 d . . . . .
C13 C 0.7642(6) 0.6391(5) 0.0199(4) 0.0342(11) Uani 1 1 d . . . . .
H13 H 0.813745 0.715639 0.003921 0.041 Uiso 1 1 calc R U . . .
C14 C 0.7336(6) 0.5268(5) -0.0667(4) 0.0333(11) Uani 1 1 d . . . . .
H14 H 0.765009 0.528907 -0.140628 0.040 Uiso 1 1 calc R U . . .
C15 C 0.6584(6) 0.4124(5) -0.0470(4) 0.0326(11) Uani 1 1 d . . . . .
H15 H 0.638998 0.338145 -0.106382 0.039 Uiso 1 1 calc R U . . .
C16 C 0.6117(5) 0.4099(5) 0.0645(4) 0.0274(10) Uani 1 1 d . . . . .
O11 O 1.0230(8) 0.9147(8) 0.2345(7) 0.0390(17) Uani 0.5 1 d G . P . .
H11A H 0.944553 0.854712 0.216993 0.059 Uiso 0.5 1 d G U P . .
H11B H 1.009712 0.981631 0.221709 0.059 Uiso 0.5 1 d G U P . .
O12 O 0.6166(5) 0.0432(4) 0.8059(4) 0.0492(10) Uani 1 1 d . . . . .
H12A H 0.603706 0.091684 0.764885 0.074 Uiso 1 1 d R U . . .
H12B H 0.543966 0.032164 0.851665 0.074 Uiso 1 1 d R U . . .
O13 O 0.3659(6) 0.0818(4) 0.9044(4) 0.0547(11) Uani 1 1 d . . . . .
H13A H 0.315773 0.098194 0.853780 0.082 Uiso 1 1 d R U . . .
H13B H 0.415443 0.147004 0.952470 0.066 Uiso 1 1 d R U . . .
N6 N 1.0300(6) 0.1401(7) 0.1491(5) 0.0573(15) Uani 1 1 d . . . . .
C17 C 0.8378(10) 0.1974(11) 0.0386(7) 0.086(3) Uani 1 1 d . . . . .
H17A H 0.823969 0.149028 -0.041388 0.130 Uiso 1 1 calc R U . . .
H17B H 0.868720 0.286274 0.041312 0.130 Uiso 1 1 calc R U . . .
H17C H 0.748226 0.177970 0.074549 0.130 Uiso 1 1 calc R U . . .
C18 C 0.9471(7) 0.1658(8) 0.1011(5) 0.0562(18) 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 3.7652(4) 2_666 ?
Dy1 O3 2.300(3) . ?
Dy1 O4 2.384(3) . ?
Dy1 O4 2.367(3) 2_666 ?
Dy1 O6 2.396(3) 2_666 ?
Dy1 O7 2.394(3) . ?
Dy1 O9 2.446(3) . ?
Dy1 O10 2.435(3) . ?
Dy1 N1 2.602(4) 2_666 ?
Dy1 N3 2.484(3) 2_666 ?
O1 H1 0.8200 . ?
O1 C3 1.330(5) . ?
O2 C1 1.279(5) . ?
O3 C1 1.247(5) . ?
O4 C7 1.311(5) . ?
O5 H5 0.8200 . ?
O5 C16 1.365(6) . ?
O6 C10 1.267(5) . ?
O7 C10 1.273(5) . ?
O8 H8 0.8200 . ?
O8 C12 1.365(6) . ?
O9 H9A 0.8502 . ?
O9 H9B 0.7880 . ?
O10 H10A 0.8510 . ?
O10 H10B 0.8121 . ?
N1 N2 1.297(5) . ?
N1 C6 1.360(5) . ?
N2 C8 1.392(5) . ?
N3 C8 1.359(5) . ?
N3 C9 1.325(6) . ?
N4 N5 1.356(5) . ?
N4 C8 1.322(5) . ?
N5 H5A 0.8600 . ?
N5 C9 1.335(6) . ?
C1 C2 1.492(6) . ?
C2 C3 1.406(6) . ?
C2 C7 1.434(6) . ?
C3 C4 1.419(6) . ?
C4 H4 0.9300 . ?
C4 C5 1.362(6) . ?
C5 H5B 0.9300 . ?
C5 C6 1.414(6) . ?
C6 C7 1.436(6) . ?
C9 H9 0.9300 . ?
C10 C11 1.481(6) . ?
C11 C12 1.401(7) . ?
C11 C16 1.406(7) . ?
C12 C13 1.389(7) . ?
C13 H13 0.9300 . ?
C13 C14 1.387(8) . ?
C14 H14 0.9300 . ?
C14 C15 1.373(8) . ?
C15 H15 0.9300 . ?
C15 C16 1.399(7) . ?
O11 H11A 0.8499 . ?
O11 H11B 0.8505 . ?
O12 H12A 0.8449 . ?
O12 H12B 0.8891 . ?
O13 H13A 0.8500 . ?
O13 H13B 0.8342 . ?
N6 C18 1.115(9) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C17 C18 1.451(10) . ?

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
O3 Dy1 Dy1 107.29(7) . 2_666 ?
O3 Dy1 O4 141.57(10) . 2_666 ?
O3 Dy1 O4 72.04(10) . . ?
O3 Dy1 O6 110.94(10) . 2_666 ?
O3 Dy1 O7 75.17(11) . . ?
O3 Dy1 O9 138.16(10) . . ?
O3 Dy1 O10 71.61(11) . . ?
O3 Dy1 N1 125.68(11) . 2_666 ?
O3 Dy1 N3 73.47(11) . 2_666 ?
O4 Dy1 Dy1 37.73(7) 2_666 2_666 ?
O4 Dy1 Dy1 37.42(7) . 2_666 ?
O4 Dy1 O4 75.15(11) 2_666 . ?
O4 Dy1 O6 76.15(10) 2_666 2_666 ?
O4 Dy1 O6 71.61(10) . 2_666 ?
O4 Dy1 O7 77.67(10) 2_666 . ?
O4 Dy1 O7 75.34(10) . . ?
O4 Dy1 O9 136.77(10) . . ?
O4 Dy1 O9 80.15(10) 2_666 . ?
O4 Dy1 O10 110.93(10) . . ?
O4 Dy1 O10 140.54(10) 2_666 . ?
O4 Dy1 N1 128.01(10) . 2_666 ?
O4 Dy1 N1 63.77(10) 2_666 2_666 ?
O4 Dy1 N3 139.56(11) . 2_666 ?
O4 Dy1 N3 124.91(11) 2_666 2_666 ?
O6 Dy1 Dy1 69.50(7) 2_666 2_666 ?
O6 Dy1 O9 68.32(10) 2_666 . ?
O6 Dy1 O10 69.79(11) 2_666 . ?
O6 Dy1 N1 123.12(11) 2_666 2_666 ?
O6 Dy1 N3 142.03(11) 2_666 2_666 ?
O7 Dy1 Dy1 72.88(7) . 2_666 ?
O7 Dy1 O6 141.97(10) . 2_666 ?
O7 Dy1 O9 132.68(10) . . ?
O7 Dy1 O10 141.71(11) . . ?
O7 Dy1 N1 66.21(11) . 2_666 ?
O7 Dy1 N3 75.98(11) . 2_666 ?
O9 Dy1 Dy1 110.72(7) . 2_666 ?
O9 Dy1 N1 66.52(10) . 2_666 ?
O9 Dy1 N3 83.60(11) . 2_666 ?
O10 Dy1 Dy1 135.36(8) . 2_666 ?
O10 Dy1 O9 69.30(10) . . ?
O10 Dy1 N1 120.99(11) . 2_666 ?
O10 Dy1 N3 76.78(11) . 2_666 ?
N1 Dy1 Dy1 96.43(7) 2_666 2_666 ?
N3 Dy1 Dy1 147.31(8) 2_666 2_666 ?
N3 Dy1 N1 61.44(11) 2_666 2_666 ?
C3 O1 H1 109.5 . . ?
C1 O3 Dy1 138.6(3) . . ?
Dy1 O4 Dy1 104.85(11) 2_666 . ?
C7 O4 Dy1 124.3(2) . 2_666 ?
C7 O4 Dy1 127.5(2) . . ?
C16 O5 H5 109.5 . . ?
C10 O6 Dy1 139.4(3) . 2_666 ?
C10 O7 Dy1 134.0(3) . . ?
C12 O8 H8 109.5 . . ?
Dy1 O9 H9A 111.6 . . ?
Dy1 O9 H9B 126.2 . . ?
H9A O9 H9B 121.6 . . ?
Dy1 O10 H10A 116.6 . . ?
Dy1 O10 H10B 130.4 . . ?
H10A O10 H10B 112.2 . . ?
N2 N1 Dy1 124.9(3) . 2_666 ?
N2 N1 C6 118.3(4) . . ?
C6 N1 Dy1 116.7(3) . 2_666 ?
N1 N2 C8 109.9(3) . . ?
C8 N3 Dy1 119.2(3) . 2_666 ?
C9 N3 Dy1 137.2(3) . 2_666 ?
C9 N3 C8 102.9(4) . . ?
C8 N4 N5 102.3(3) . . ?
N4 N5 H5A 124.9 . . ?
C9 N5 N4 110.2(3) . . ?
C9 N5 H5A 124.9 . . ?
O2 C1 C2 115.8(4) . . ?
O3 C1 O2 122.5(4) . . ?
O3 C1 C2 121.7(4) . . ?
C3 C2 C1 119.4(4) . . ?
C3 C2 C7 119.3(4) . . ?
C7 C2 C1 121.3(4) . . ?
O1 C3 C2 121.8(4) . . ?
O1 C3 C4 116.5(4) . . ?
C2 C3 C4 121.7(4) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 C3 119.4(4) . . ?
C5 C4 H4 120.3 . . ?
C4 C5 H5B 119.6 . . ?
C4 C5 C6 120.7(4) . . ?
C6 C5 H5B 119.6 . . ?
N1 C6 C5 124.5(4) . . ?
N1 C6 C7 114.2(4) . . ?
C5 C6 C7 121.3(4) . . ?
O4 C7 C2 123.7(4) . . ?
O4 C7 C6 119.0(4) . . ?
C2 C7 C6 117.3(4) . . ?
N3 C8 N2 124.1(4) . . ?
N4 C8 N2 121.3(4) . . ?
N4 C8 N3 114.6(4) . . ?
N3 C9 N5 110.0(4) . . ?
N3 C9 H9 125.0 . . ?
N5 C9 H9 125.0 . . ?
O6 C10 O7 123.0(4) . . ?
O6 C10 C11 118.6(4) . . ?
O7 C10 C11 118.4(4) . . ?
C12 C11 C10 121.0(4) . . ?
C12 C11 C16 118.2(4) . . ?
C16 C11 C10 120.9(4) . . ?
O8 C12 C11 120.9(4) . . ?
O8 C12 C13 118.0(4) . . ?
C13 C12 C11 121.0(5) . . ?
C12 C13 H13 120.5 . . ?
C14 C13 C12 119.0(5) . . ?
C14 C13 H13 120.5 . . ?
C13 C14 H14 118.9 . . ?
C15 C14 C13 122.1(4) . . ?
C15 C14 H14 118.9 . . ?
C14 C15 H15 120.7 . . ?
C14 C15 C16 118.6(5) . . ?
C16 C15 H15 120.7 . . ?
O5 C16 C11 121.7(4) . . ?
O5 C16 C15 117.2(4) . . ?
C15 C16 C11 121.1(5) . . ?
H11A O11 H11B 109.4 . . ?
H12A O12 H12B 107.7 . . ?
H13A O13 H13B 112.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C18 C17 H17A 109.5 . . ?
C18 C17 H17B 109.5 . . ?
C18 C17 H17C 109.5 . . ?
N6 C18 C17 179.2(10) . . ?

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 O3 C1 O2 -175.1(3) . . . . ?
Dy1 O3 C1 C2 3.0(7) . . . . ?
Dy1 O4 C7 C2 -39.6(5) . . . . ?
Dy1 O4 C7 C2 164.5(3) 2_666 . . . ?
Dy1 O4 C7 C6 140.9(3) . . . . ?
Dy1 O4 C7 C6 -15.0(5) 2_666 . . . ?
Dy1 O6 C10 O7 -12.1(7) 2_666 . . . ?
Dy1 O6 C10 C11 169.1(3) 2_666 . . . ?
Dy1 O7 C10 O6 -1.5(6) . . . . ?
Dy1 O7 C10 C11 177.3(3) . . . . ?
Dy1 N1 N2 C8 -1.2(4) 2_666 . . . ?
Dy1 N1 C6 C5 -170.6(3) 2_666 . . . ?
Dy1 N1 C6 C7 7.6(4) 2_666 . . . ?
Dy1 N3 C8 N2 -8.0(5) 2_666 . . . ?
Dy1 N3 C8 N4 172.2(3) 2_666 . . . ?
Dy1 N3 C9 N5 -170.1(3) 2_666 . . . ?
O1 C3 C4 C5 -175.8(4) . . . . ?
O2 C1 C2 C3 15.3(6) . . . . ?
O2 C1 C2 C7 -163.2(4) . . . . ?
O3 C1 C2 C3 -162.9(4) . . . . ?
O3 C1 C2 C7 18.6(6) . . . . ?
O6 C10 C11 C12 174.4(4) . . . . ?
O6 C10 C11 C16 -5.4(6) . . . . ?
O7 C10 C11 C12 -4.5(6) . . . . ?
O7 C10 C11 C16 175.7(4) . . . . ?
O8 C12 C13 C14 180.0(5) . . . . ?
N1 N2 C8 N3 6.0(5) . . . . ?
N1 N2 C8 N4 -174.3(4) . . . . ?
N1 C6 C7 O4 3.5(5) . . . . ?
N1 C6 C7 C2 -176.0(3) . . . . ?
N2 N1 C6 C5 7.0(6) . . . . ?
N2 N1 C6 C7 -174.8(3) . . . . ?
N4 N5 C9 N3 0.5(5) . . . . ?
N5 N4 C8 N2 -179.7(4) . . . . ?
N5 N4 C8 N3 0.1(5) . . . . ?
C1 C2 C3 O1 -3.3(6) . . . . ?
C1 C2 C3 C4 175.3(4) . . . . ?
C1 C2 C7 O4 1.3(6) . . . . ?
C1 C2 C7 C6 -179.3(4) . . . . ?
C2 C3 C4 C5 5.5(7) . . . . ?
C3 C2 C7 O4 -177.1(4) . . . . ?
C3 C2 C7 C6 2.3(6) . . . . ?
C3 C4 C5 C6 -0.8(7) . . . . ?
C4 C5 C6 N1 175.0(4) . . . . ?
C4 C5 C6 C7 -3.1(6) . . . . ?
C5 C6 C7 O4 -178.3(4) . . . . ?
C5 C6 C7 C2 2.2(6) . . . . ?
C6 N1 N2 C8 -178.6(3) . . . . ?
C7 C2 C3 O1 175.1(4) . . . . ?
C7 C2 C3 C4 -6.2(6) . . . . ?
C8 N3 C9 N5 -0.4(5) . . . . ?
C8 N4 N5 C9 -0.3(4) . . . . ?
C9 N3 C8 N2 179.9(4) . . . . ?
C9 N3 C8 N4 0.2(5) . . . . ?
C10 C11 C12 O8 -0.6(7) . . . . ?
C10 C11 C12 C13 -179.1(5) . . . . ?
C10 C11 C16 O5 0.8(7) . . . . ?
C10 C11 C16 C15 -179.8(4) . . . . ?
C11 C12 C13 C14 -1.4(8) . . . . ?
C12 C11 C16 O5 -178.9(4) . . . . ?
C12 C11 C16 C15 0.5(7) . . . . ?
C12 C13 C14 C15 1.2(9) . . . . ?
C13 C14 C15 C16 -0.1(8) . . . . ?
C14 C15 C16 O5 178.7(5) . . . . ?
C14 C15 C16 C11 -0.8(8) . . . . ?
C16 C11 C12 O8 179.2(5) . . . . ?
C16 C11 C12 C13 0.6(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 4.136
_oxdiff_exptl_absorpt_empirical_full_min 0.448
####################################################################### 
# 
# 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_exp_756
_database_code_depnum_ccdc_archive 'CCDC 2098136'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Chen'
;Guangzhou University
China
;
_audit_update_record             
;
2021-08-26 deposited with the CCDC.	2021-08-30 downloaded from the CCDC.
;
_audit_creation_date             2021-08-26
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C16 H16 Dy N6 O8, 2(C3 H7 N O)'
_chemical_formula_sum            'C22 H30 Dy N8 O10'
_chemical_formula_weight         729.04
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.56300(10)
_cell_length_b                   11.32340(10)
_cell_length_c                   12.71470(10)
_cell_angle_alpha                112.6490(10)
_cell_angle_beta                 100.3860(10)
_cell_angle_gamma                98.7410(10)
_cell_volume                     1338.83(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    14818
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      75.9100
_cell_measurement_theta_min      3.8920
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    15.554
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.77966
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.808
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             728
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_av_unetI/netI     0.0396
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            17175
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.674
_diffrn_reflns_theta_min         3.903
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    127.00 174.00   0.50    0.12    --  106.06  36.00  38.00   94
  2  ω     94.00 123.00   0.50    0.12    --  106.06  36.00  38.00   58
  3  ω     31.00 115.00   0.50    0.05    --   46.00  36.00  38.00  168
  4  ω    138.00 164.00   0.50    0.12    --  106.06  30.00-180.00   52
  5  ω     92.00 134.00   0.50    0.12    --  106.06  30.00-180.00   84
  6  ω     36.00  85.00   0.50    0.05    --   46.00-125.00  60.00   98
  7  ω     35.00 112.00   0.50    0.12    --  106.06-125.00 150.00  154
  8  ω     34.00  80.00   0.50    0.12    --  106.06-125.00 120.00   92
  9  ω     36.00  62.00   0.50    0.12    --  106.06 -94.00 150.00   52
 10  ω     45.00 101.00   0.50    0.12    --  106.06 -94.00   0.00  112
 11  ω     42.00  92.00   0.50    0.12    --  106.06 -94.00  60.00  100
 12  ω     63.00  89.00   0.50    0.12    --  106.06 -94.00 -30.00   52
 13  ω     52.00  78.00   0.50    0.12    --  106.06 -94.00 -90.00   52
 14  ω     37.00 112.00   0.50    0.12    --  106.06-125.00-150.00  150
 15  ω     49.00  86.00   0.50    0.12    --  106.06 -94.00-180.00   74
 16  ω     35.00  73.00   0.50    0.12    --  106.06 -61.00-120.00   76
 17  ω     37.00  71.00   0.50    0.12    --  106.06 -61.00 -90.00   68
 18  ω     41.00  71.00   0.50    0.12    --  106.06 -61.00 -60.00   60
 19  ω     42.00  73.00   0.50    0.12    --  106.06 -61.00  60.00   62
 20  ω     19.00  68.00   0.50    0.05    --   46.00 -77.00-120.00   98
 21  ω    -22.00  43.00   0.50    0.05    --   46.00 -36.00-118.00  130
 22  ω    -20.00  13.00   0.50    0.05    --   46.00 -77.00-120.00   66
 23  ω    -24.00  44.00   0.50    0.05    --   46.00 -37.00 120.00  136
 24  ω   -108.00 -30.00   0.50    0.12    -- -102.00 110.00 -37.74  156
 25  ω    -69.00 -44.00   0.50    0.12    -- -102.00 125.00  90.00   50
 26  ω   -120.00 -38.00   0.50    0.12    -- -102.00 137.00  -2.92  164
 27  ω    -59.00 -29.00   0.50    0.12    -- -102.00 125.00-120.00   60
 28  ω   -108.00 -68.00   0.50    0.12    -- -102.00 125.00-120.00   80
 29  ω   -108.00 -60.00   0.50    0.12    -- -102.00 110.00-141.11   96
 30  ω    -69.00 -30.00   0.50    0.12    -- -102.00  61.00 -90.00   78
 31  ω    -69.00 -29.00   0.50    0.12    -- -102.00  61.00-120.00   80
 32  ω   -175.00 -87.00   0.50    0.12    -- -102.00 -36.00-118.00  176
 33  ω   -173.00-101.00   0.50    0.12    -- -102.00 -30.00-180.00  144
 34  ω   -119.00 -60.00   0.50    0.05    --  -46.00 -36.00-118.00  118
 35  ω   -174.00 -87.00   0.50    0.12    -- -102.00 -30.00 -30.00  174
 36  ω   -175.00-140.00   0.50    0.12    -- -102.00 -30.00 120.00   70
 37  ω   -128.00 -86.00   0.50    0.12    -- -102.00 -30.00 120.00   84
 38  ω    -12.00  14.00   0.50    0.05    --  -46.00  36.00  38.00   52
 39  ω   -114.00 -89.00   0.50    0.05    --  -46.00-125.00 -30.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5222
_reflns_number_total             5387
_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 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.126
_refine_diff_density_min         -1.256
_refine_diff_density_rms         0.112
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     405
_refine_ls_number_reflns         5387
_refine_ls_number_restraints     11
_refine_ls_R_factor_all          0.0295
_refine_ls_R_factor_gt           0.0288
_refine_ls_restrained_S_all      1.114
_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)+(0.0491P)²+0.3538P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0769
_refine_ls_wR_factor_ref         0.0774
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Restrained distances
 O10-C22
 1.25 with sigma of 0.01
 O9-C22
 1.25 with sigma of 0.01
 C22-N8
 1.32 with sigma of 0.01
 O8-C18 \\sim O8A-C18A
 with sigma of 0.02
 C17-C18 \\sim C17A-C18A
 with sigma of 0.04
 N7-C17 \\sim N7A-C17A
 with sigma of 0.02
 N7-C18 \\sim N7A-C18A
 with sigma of 0.02
 N7-C19 \\sim N7A-C19A
 with sigma of 0.02
 C17-C19 \\sim C17A-C19A
 with sigma of 0.04
 O8-N7 \\sim O8A-N7A
 with sigma of 0.04
 C18-C19 \\sim C18A-C19A
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
Uanis(C18A) = Uanis(C17)
Uanis(C19A) = Uanis(C19)
Uanis(C18) = Uanis(C17A)
Uanis(N7A) = Uanis(N7)
Uanis(O8A) = Uanis(O8)
4. Others
 Sof(N7A)=Sof(O8A)=Sof(C18A)=Sof(H18A)=Sof(C17A)=Sof(H17D)=Sof(H17E)=Sof(H17F)=
 Sof(C19A)=Sof(H19D)=Sof(H19E)=Sof(H19F)=1-FVAR(1)
 Sof(O8)=Sof(N7)=Sof(C17)=Sof(H17A)=Sof(H17B)=Sof(H17C)=Sof(C18)=Sof(H18)=
 Sof(C19)=Sof(H19A)=Sof(H19B)=Sof(H19C)=FVAR(1)
 Fixed Sof: H22(0.5) H22A(0.5) O9(0.6) O10(0.4)
5.a Rotating group:
 O7(H7A,H7B)
5.b Aromatic/amide H refined with riding coordinates:
 N5(H5), C4(H4), C5(H5A), C9(H9), C12(H12), C13(H13), C14(H14), C18(H18),
 C22(H22), C22(H22A), C18A(H18A)
5.c Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C19(H19A,H19B,
 H19C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C17A(H17D,H17E,H17F),
 C19A(H19D,H19E,H19F)
5.d Idealised tetrahedral OH refined as rotating group:
 O11(H11)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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 0.57825(2) 0.57569(2) 0.66514(2) 0.00841(7) Uani 1 1 d . . . . .
O11 O 0.0598(2) 0.6651(2) 0.74399(17) 0.0161(4) Uani 1 1 d . . . . .
H11 H 0.097673 0.631455 0.785315 0.024 Uiso 1 1 calc R U . . .
O2 O 0.2202(2) 0.5568(2) 0.81210(17) 0.0159(4) Uani 1 1 d . . . . .
O3 O 0.37065(19) 0.51421(19) 0.52157(16) 0.0107(4) Uani 1 1 d . . . . .
O4 O 0.4999(2) 0.34654(19) 0.59518(16) 0.0117(4) Uani 1 1 d . . . . .
O5 O 0.4344(2) 0.25187(19) 0.39669(17) 0.0129(4) Uani 1 1 d . . . . .
O6 O 0.6054(2) 0.7801(2) 0.84241(18) 0.0178(4) Uani 1 1 d . . . . .
O1 O 0.4048(2) 0.5501(2) 0.75246(17) 0.0133(4) Uani 1 1 d . . . . .
O7 O 0.8007(2) 0.7082(2) 0.72001(18) 0.0153(4) Uani 1 1 d . . . . .
H7A H 0.855655 0.662359 0.727045 0.023 Uiso 1 1 d R U . . .
H7B H 0.816474 0.770102 0.788758 0.023 Uiso 1 1 d R U . . .
N1 N 0.2404(2) 0.5566(2) 0.3461(2) 0.0110(4) Uani 1 1 d . . . . .
N2 N 0.1871(2) 0.5896(2) 0.2665(2) 0.0134(5) Uani 1 1 d . . . . .
N3 N 0.3326(2) 0.4704(2) 0.1614(2) 0.0124(5) Uani 1 1 d . . . . .
N4 N 0.2092(3) 0.5764(2) 0.0806(2) 0.0152(5) Uani 1 1 d . . . . .
N5 N 0.2843(3) 0.5166(2) 0.0098(2) 0.0141(5) Uani 1 1 d . . . . .
H5 H 0.285344 0.518766 -0.058478 0.017 Uiso 1 1 calc R U . . .
N6 N 0.6418(3) 1.0005(2) 0.9553(2) 0.0177(5) Uani 1 1 d . . . . .
C1 C 0.2891(3) 0.5655(3) 0.7408(2) 0.0124(5) Uani 1 1 d . . . . .
C2 C 0.2246(3) 0.5956(3) 0.6431(2) 0.0117(5) Uani 1 1 d . . . . .
C3 C 0.1115(3) 0.6470(3) 0.6513(2) 0.0122(5) Uani 1 1 d . . . . .
C4 C 0.0467(3) 0.6798(3) 0.5630(3) 0.0157(6) Uani 1 1 d . . . . .
H4 H -0.025572 0.720106 0.572927 0.019 Uiso 1 1 calc R U . . .
C5 C 0.0897(3) 0.6527(3) 0.4627(2) 0.0143(5) Uani 1 1 d . . . . .
H5A H 0.046165 0.673542 0.402263 0.017 Uiso 1 1 calc R U . . .
C6 C 0.1976(3) 0.5943(3) 0.4481(2) 0.0125(5) Uani 1 1 d . . . . .
C7 C 0.2704(3) 0.5669(2) 0.5385(2) 0.0099(5) Uani 1 1 d . . . . .
C8 C 0.2424(3) 0.5452(3) 0.1705(2) 0.0126(5) Uani 1 1 d . . . . .
C9 C 0.3564(3) 0.4539(3) 0.0581(2) 0.0139(5) Uani 1 1 d . . . . .
H9 H 0.415474 0.405091 0.023761 0.017 Uiso 1 1 calc R U . . .
C10 C 0.4718(3) 0.2497(3) 0.4960(2) 0.0121(5) Uani 1 1 d . . . . .
C11 C 0.4851(3) 0.1194(3) 0.4976(2) 0.0124(5) Uani 1 1 d . . . . .
C12 C 0.4205(3) 0.0003(3) 0.4005(2) 0.0150(5) Uani 1 1 d . . . . .
H12 H 0.365891 0.000494 0.332449 0.018 Uiso 1 1 calc R U . . .
C13 C 0.4356(3) -0.1185(3) 0.4025(2) 0.0153(6) Uani 1 1 d . . . . .
H13 H 0.391747 -0.199279 0.335837 0.018 Uiso 1 1 calc R U . . .
C14 C 0.5960(3) 0.8925(3) 0.8550(3) 0.0159(6) Uani 1 1 d . . . . .
H14 H 0.552478 0.901618 0.787358 0.019 Uiso 1 1 calc R U . . .
C15 C 0.6349(4) 1.1305(3) 0.9601(3) 0.0222(6) Uani 1 1 d . . . . .
H15A H 0.724771 1.183990 0.978151 0.033 Uiso 1 1 calc R U . . .
H15B H 0.592113 1.174348 1.021662 0.033 Uiso 1 1 calc R U . . .
H15C H 0.583099 1.120236 0.883562 0.033 Uiso 1 1 calc R U . . .
C16 C 0.7127(4) 0.9954(3) 1.0624(3) 0.0245(7) Uani 1 1 d . . . . .
H16A H 0.690762 0.904697 1.054765 0.037 Uiso 1 1 calc R U . . .
H16B H 0.686403 1.053669 1.130206 0.037 Uiso 1 1 calc R U . . .
H16C H 0.808454 1.024269 1.074094 0.037 Uiso 1 1 calc R U . . .
O8 O 0.4091(3) 0.2289(3) 0.8335(2) 0.0263(6) Uani 0.910(6) 1 d D . P A 1
N7 N 0.2589(4) 0.1521(4) 0.6541(4) 0.0169(9) Uani 0.910(6) 1 d D . P A 1
C17 C 0.1898(12) 0.1831(6) 0.5624(8) 0.0245(9) Uani 0.910(6) 1 d D . P A 1
H17A H 0.094295 0.162675 0.555274 0.037 Uiso 0.910(6) 1 calc R U P A 1
H17B H 0.206940 0.130434 0.487081 0.037 Uiso 0.910(6) 1 calc R U P A 1
H17C H 0.221624 0.277100 0.582852 0.037 Uiso 0.910(6) 1 calc R U P A 1
C18 C 0.3475(4) 0.2464(6) 0.7509(5) 0.0178(10) Uani 0.910(6) 1 d D . P A 1
H18 H 0.364005 0.333596 0.756117 0.021 Uiso 0.910(6) 1 calc R U P A 1
C19 C 0.2308(10) 0.0151(6) 0.6362(9) 0.0269(17) Uani 0.910(6) 1 d D . P A 1
H19A H 0.139362 -0.012246 0.639154 0.040 Uiso 0.910(6) 1 calc R U P A 1
H19B H 0.292214 0.005547 0.698447 0.040 Uiso 0.910(6) 1 calc R U P A 1
H19C H 0.241744 -0.040509 0.559034 0.040 Uiso 0.910(6) 1 calc R U P A 1
N8 N 0.0185(3) -0.1575(3) 0.1257(2) 0.0219(5) Uani 1 1 d D . . . .
C20 C -0.0073(5) -0.2191(4) 0.2024(4) 0.0382(9) Uani 1 1 d . . . . .
H20A H -0.103248 -0.245470 0.191202 0.057 Uiso 1 1 calc R U . . .
H20B H 0.034849 -0.156576 0.284693 0.057 Uiso 1 1 calc R U . . .
H20C H 0.029064 -0.297252 0.183447 0.057 Uiso 1 1 calc R U . . .
C21 C -0.0239(4) -0.2382(4) 0.0001(3) 0.0314(8) Uani 1 1 d . . . . .
H21A H 0.003642 -0.321041 -0.017587 0.047 Uiso 1 1 calc R U . . .
H21B H 0.016606 -0.190926 -0.040637 0.047 Uiso 1 1 calc R U . . .
H21C H -0.120776 -0.257266 -0.026938 0.047 Uiso 1 1 calc R U . . .
C22 C 0.0744(4) -0.0310(3) 0.1684(3) 0.0300(8) Uani 1 1 d D . . . .
H22 H 0.080746 0.000263 0.109643 0.036 Uiso 0.5 1 calc R U P B 1
H22A H 0.099367 0.012149 0.252202 0.036 Uiso 0.5 1 calc R U P C 2
O9 O 0.1183(5) 0.0514(4) 0.2663(3) 0.0314(9) Uani 0.6 1 d D . P D 1
O10 O 0.0989(6) 0.0377(5) 0.1237(5) 0.0242(12) Uani 0.4 1 d D . P D 2
N7A N 0.281(5) 0.141(5) 0.643(4) 0.0169(9) Uani 0.090(6) 1 d D . P A 2
O8A O 0.118(3) 0.101(3) 0.476(2) 0.0263(6) Uani 0.090(6) 1 d D . P A 2
C18A C 0.200(13) 0.176(5) 0.572(8) 0.0245(9) Uani 0.090(6) 1 d D . P A 2
H18A H 0.206364 0.267887 0.596598 0.029 Uiso 0.090(6) 1 calc R U P A 2
C17A C 0.374(6) 0.238(7) 0.753(5) 0.0178(10) Uani 0.090(6) 1 d D . P A 2
H17D H 0.448388 0.283689 0.735255 0.027 Uiso 0.090(6) 1 calc R U P A 2
H17E H 0.407258 0.194103 0.800832 0.027 Uiso 0.090(6) 1 calc R U P A 2
H17F H 0.328578 0.302947 0.796375 0.027 Uiso 0.090(6) 1 calc R U P A 2
C19A C 0.246(13) 0.007(6) 0.633(10) 0.0269(17) Uani 0.090(6) 1 d D . P A 2
H19D H 0.186267 -0.050872 0.555150 0.040 Uiso 0.090(6) 1 calc R U P A 2
H19E H 0.202112 0.006038 0.694437 0.040 Uiso 0.090(6) 1 calc R U P A 2
H19F H 0.326959 -0.024858 0.643164 0.040 Uiso 0.090(6) 1 calc R U P A 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 Dy1 3.7944(3) 2_666 ?
Dy1 O3 2.3958(19) . ?
Dy1 O3 2.3939(18) 2_666 ?
Dy1 O4 2.3480(19) . ?
Dy1 O5 2.3817(19) 2_666 ?
Dy1 O6 2.463(2) . ?
Dy1 O1 2.344(2) . ?
Dy1 O7 2.406(2) . ?
Dy1 N1 2.596(2) 2_666 ?
Dy1 N3 2.513(2) 2_666 ?
O11 H11 0.8400 . ?
O11 C3 1.345(3) . ?
O2 C1 1.283(3) . ?
O3 C7 1.303(3) . ?
O4 C10 1.258(3) . ?
O5 C10 1.264(3) . ?
O6 C14 1.241(4) . ?
O1 C1 1.251(4) . ?
O7 H7A 0.8500 . ?
O7 H7B 0.8506 . ?
N1 N2 1.277(3) . ?
N1 C6 1.383(4) . ?
N2 C8 1.399(4) . ?
N3 C8 1.359(4) . ?
N3 C9 1.329(4) . ?
N4 N5 1.360(4) . ?
N4 C8 1.326(4) . ?
N5 H5 0.8800 . ?
N5 C9 1.338(4) . ?
N6 C14 1.324(4) . ?
N6 C15 1.463(4) . ?
N6 C16 1.457(4) . ?
C1 C2 1.488(4) . ?
C2 C3 1.409(4) . ?
C2 C7 1.434(4) . ?
C3 C4 1.410(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.370(4) . ?
C5 H5A 0.9500 . ?
C5 C6 1.408(4) . ?
C6 C7 1.428(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.511(4) . ?
C11 C12 1.394(4) . ?
C11 C13 1.394(4) 2_656 ?
C12 H12 0.9500 . ?
C12 C13 1.388(4) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
O8 C18 1.234(6) . ?
N7 C17 1.450(6) . ?
N7 C18 1.341(5) . ?
N7 C19 1.453(5) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18 0.9500 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
N8 C20 1.440(5) . ?
N8 C21 1.442(4) . ?
N8 C22 1.313(4) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22 0.9500 . ?
C22 H22A 0.9500 . ?
C22 O9 1.184(5) . ?
C22 O10 1.152(6) . ?
N7A C18A 1.35(2) . ?
N7A C17A 1.45(2) . ?
N7A C19A 1.461(19) . ?
O8A C18A 1.24(2) . ?
C18A H18A 0.9500 . ?
C17A H17D 0.9800 . ?
C17A H17E 0.9800 . ?
C17A H17F 0.9800 . ?
C19A H19D 0.9800 . ?
C19A H19E 0.9800 . ?
C19A H19F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 Dy1 Dy1 37.62(5) 2_666 2_666 ?
O3 Dy1 Dy1 37.59(4) . 2_666 ?
O3 Dy1 O3 75.22(7) 2_666 . ?
O3 Dy1 O6 113.31(7) . . ?
O3 Dy1 O6 144.39(7) 2_666 . ?
O3 Dy1 O7 80.93(7) 2_666 . ?
O3 Dy1 O7 140.24(7) . . ?
O3 Dy1 N1 126.63(7) . 2_666 ?
O3 Dy1 N1 64.00(7) 2_666 2_666 ?
O3 Dy1 N3 136.91(7) . 2_666 ?
O3 Dy1 N3 124.80(7) 2_666 2_666 ?
O4 Dy1 Dy1 70.26(5) . 2_666 ?
O4 Dy1 O3 73.41(7) . . ?
O4 Dy1 O3 75.55(7) . 2_666 ?
O4 Dy1 O5 140.57(6) . 2_666 ?
O4 Dy1 O6 139.80(7) . . ?
O4 Dy1 O7 130.25(7) . . ?
O4 Dy1 N1 64.48(7) . 2_666 ?
O4 Dy1 N3 76.02(7) . 2_666 ?
O5 Dy1 Dy1 71.05(5) 2_666 2_666 ?
O5 Dy1 O3 71.48(7) 2_666 . ?
O5 Dy1 O3 78.66(7) 2_666 2_666 ?
O5 Dy1 O6 72.41(7) 2_666 . ?
O5 Dy1 O7 72.96(7) 2_666 . ?
O5 Dy1 N1 127.29(7) 2_666 2_666 ?
O5 Dy1 N3 143.33(7) 2_666 2_666 ?
O6 Dy1 Dy1 139.72(5) . 2_666 ?
O6 Dy1 N1 119.95(7) . 2_666 ?
O6 Dy1 N3 73.92(7) . 2_666 ?
O1 Dy1 Dy1 106.18(5) . 2_666 ?
O1 Dy1 O3 70.95(7) . . ?
O1 Dy1 O3 140.21(7) . 2_666 ?
O1 Dy1 O4 75.22(7) . . ?
O1 Dy1 O5 108.93(7) . 2_666 ?
O1 Dy1 O6 70.66(7) . . ?
O1 Dy1 O7 138.87(7) . . ?
O1 Dy1 N1 123.66(7) . 2_666 ?
O1 Dy1 N3 72.39(7) . 2_666 ?
O7 Dy1 Dy1 112.70(5) . 2_666 ?
O7 Dy1 O6 71.18(7) . . ?
O7 Dy1 N1 65.84(7) . 2_666 ?
O7 Dy1 N3 82.85(7) . 2_666 ?
N1 Dy1 Dy1 95.75(5) 2_666 2_666 ?
N3 Dy1 Dy1 145.20(5) 2_666 2_666 ?
N3 Dy1 N1 61.18(7) 2_666 2_666 ?
C3 O11 H11 109.5 . . ?
Dy1 O3 Dy1 104.78(7) 2_666 . ?
C7 O3 Dy1 125.53(16) . . ?
C7 O3 Dy1 124.03(16) . 2_666 ?
C10 O4 Dy1 134.95(17) . . ?
C10 O5 Dy1 133.74(18) . 2_666 ?
C14 O6 Dy1 131.90(18) . . ?
C1 O1 Dy1 136.35(17) . . ?
Dy1 O7 H7A 109.4 . . ?
Dy1 O7 H7B 109.4 . . ?
H7A O7 H7B 104.5 . . ?
N2 N1 Dy1 126.23(18) . 2_666 ?
N2 N1 C6 117.2(2) . . ?
C6 N1 Dy1 116.57(17) . 2_666 ?
N1 N2 C8 109.8(2) . . ?
C8 N3 Dy1 118.24(17) . 2_666 ?
C9 N3 Dy1 138.41(19) . 2_666 ?
C9 N3 C8 102.9(2) . . ?
C8 N4 N5 101.6(2) . . ?
N4 N5 H5 124.6 . . ?
C9 N5 N4 110.8(2) . . ?
C9 N5 H5 124.6 . . ?
C14 N6 C15 121.4(3) . . ?
C14 N6 C16 120.8(3) . . ?
C16 N6 C15 117.6(3) . . ?
O2 C1 C2 116.6(2) . . ?
O1 C1 O2 122.0(2) . . ?
O1 C1 C2 121.4(2) . . ?
C3 C2 C1 118.9(2) . . ?
C3 C2 C7 119.4(2) . . ?
C7 C2 C1 121.5(2) . . ?
O11 C3 C2 120.8(2) . . ?
O11 C3 C4 117.2(2) . . ?
C2 C3 C4 122.0(3) . . ?
C3 C4 H4 120.6 . . ?
C5 C4 C3 118.9(3) . . ?
C5 C4 H4 120.6 . . ?
C4 C5 H5A 119.6 . . ?
C4 C5 C6 120.8(3) . . ?
C6 C5 H5A 119.6 . . ?
N1 C6 C5 123.7(2) . . ?
N1 C6 C7 114.5(2) . . ?
C5 C6 C7 121.8(2) . . ?
O3 C7 C2 123.4(2) . . ?
O3 C7 C6 119.7(2) . . ?
C6 C7 C2 116.9(2) . . ?
N3 C8 N2 124.4(2) . . ?
N4 C8 N2 120.5(3) . . ?
N4 C8 N3 115.1(2) . . ?
N3 C9 N5 109.5(3) . . ?
N3 C9 H9 125.2 . . ?
N5 C9 H9 125.2 . . ?
O4 C10 O5 126.2(3) . . ?
O4 C10 C11 116.0(2) . . ?
O5 C10 C11 117.8(2) . . ?
C12 C11 C10 121.1(2) . . ?
C12 C11 C13 119.6(3) . 2_656 ?
C13 C11 C10 119.3(3) 2_656 . ?
C11 C12 H12 119.8 . . ?
C13 C12 C11 120.4(3) . . ?
C13 C12 H12 119.8 . . ?
C11 C13 H13 120.0 2_656 . ?
C12 C13 C11 120.1(3) . 2_656 ?
C12 C13 H13 120.0 . . ?
O6 C14 N6 125.2(3) . . ?
O6 C14 H14 117.4 . . ?
N6 C14 H14 117.4 . . ?
N6 C15 H15A 109.5 . . ?
N6 C15 H15B 109.5 . . ?
N6 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N6 C16 H16A 109.5 . . ?
N6 C16 H16B 109.5 . . ?
N6 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C17 N7 C19 117.6(4) . . ?
C18 N7 C17 121.0(4) . . ?
C18 N7 C19 121.4(4) . . ?
N7 C17 H17A 109.5 . . ?
N7 C17 H17B 109.5 . . ?
N7 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O8 C18 N7 125.2(5) . . ?
O8 C18 H18 117.4 . . ?
N7 C18 H18 117.4 . . ?
N7 C19 H19A 109.5 . . ?
N7 C19 H19B 109.5 . . ?
N7 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C20 N8 C21 117.9(3) . . ?
C22 N8 C20 121.1(3) . . ?
C22 N8 C21 121.0(3) . . ?
N8 C20 H20A 109.5 . . ?
N8 C20 H20B 109.5 . . ?
N8 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N8 C21 H21A 109.5 . . ?
N8 C21 H21B 109.5 . . ?
N8 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N8 C22 H22 113.9 . . ?
N8 C22 H22A 113.8 . . ?
O9 C22 N8 132.1(4) . . ?
O9 C22 H22 113.9 . . ?
O10 C22 N8 132.3(4) . . ?
O10 C22 H22A 113.8 . . ?
C18A N7A C17A 122(3) . . ?
C18A N7A C19A 118(3) . . ?
C17A N7A C19A 116(3) . . ?
N7A C18A H18A 116.5 . . ?
O8A C18A N7A 127(4) . . ?
O8A C18A H18A 116.5 . . ?
N7A C17A H17D 109.5 . . ?
N7A C17A H17E 109.5 . . ?
N7A C17A H17F 109.5 . . ?
H17D C17A H17E 109.5 . . ?
H17D C17A H17F 109.5 . . ?
H17E C17A H17F 109.5 . . ?
N7A C19A H19D 109.5 . . ?
N7A C19A H19E 109.5 . . ?
N7A C19A H19F 109.5 . . ?
H19D C19A H19E 109.5 . . ?
H19D C19A H19F 109.5 . . ?
H19E C19A H19F 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 O3 C7 C2 -43.9(3) . . . . ?
Dy1 O3 C7 C2 166.75(19) 2_666 . . . ?
Dy1 O3 C7 C6 -10.9(3) 2_666 . . . ?
Dy1 O3 C7 C6 138.4(2) . . . . ?
Dy1 O4 C10 O5 -27.0(5) . . . . ?
Dy1 O4 C10 C11 152.80(19) . . . . ?
Dy1 O5 C10 O4 9.2(5) 2_666 . . . ?
Dy1 O5 C10 C11 -170.67(18) 2_666 . . . ?
Dy1 O6 C14 N6 -163.8(2) . . . . ?
Dy1 O1 C1 O2 -172.17(19) . . . . ?
Dy1 O1 C1 C2 7.6(4) . . . . ?
Dy1 N1 N2 C8 -0.8(3) 2_666 . . . ?
Dy1 N1 C6 C5 -172.3(2) 2_666 . . . ?
Dy1 N1 C6 C7 6.5(3) 2_666 . . . ?
Dy1 N3 C8 N2 -5.5(4) 2_666 . . . ?
Dy1 N3 C8 N4 173.74(19) 2_666 . . . ?
Dy1 N3 C9 N5 -171.6(2) 2_666 . . . ?
O11 C3 C4 C5 -174.7(3) . . . . ?
O2 C1 C2 C3 16.9(4) . . . . ?
O2 C1 C2 C7 -159.7(3) . . . . ?
O4 C10 C11 C12 160.2(3) . . . . ?
O4 C10 C11 C13 -20.5(4) . . . 2_656 ?
O5 C10 C11 C12 -19.9(4) . . . . ?
O5 C10 C11 C13 159.3(3) . . . 2_656 ?
O1 C1 C2 C3 -162.9(3) . . . . ?
O1 C1 C2 C7 20.6(4) . . . . ?
N1 N2 C8 N3 4.1(4) . . . . ?
N1 N2 C8 N4 -175.1(3) . . . . ?
N1 C6 C7 O3 2.0(4) . . . . ?
N1 C6 C7 C2 -175.8(2) . . . . ?
N2 N1 C6 C5 7.5(4) . . . . ?
N2 N1 C6 C7 -173.7(2) . . . . ?
N4 N5 C9 N3 -0.4(3) . . . . ?
N5 N4 C8 N2 179.3(3) . . . . ?
N5 N4 C8 N3 0.0(3) . . . . ?
C1 C2 C3 O11 -2.0(4) . . . . ?
C1 C2 C3 C4 178.9(3) . . . . ?
C1 C2 C7 O3 -0.5(4) . . . . ?
C1 C2 C7 C6 177.2(2) . . . . ?
C2 C3 C4 C5 4.4(4) . . . . ?
C3 C2 C7 O3 -177.1(2) . . . . ?
C3 C2 C7 C6 0.7(4) . . . . ?
C3 C4 C5 C6 -0.7(4) . . . . ?
C4 C5 C6 N1 175.7(3) . . . . ?
C4 C5 C6 C7 -3.1(4) . . . . ?
C5 C6 C7 O3 -179.2(3) . . . . ?
C5 C6 C7 C2 3.0(4) . . . . ?
C6 N1 N2 C8 179.4(2) . . . . ?
C7 C2 C3 O11 174.6(2) . . . . ?
C7 C2 C3 C4 -4.4(4) . . . . ?
C8 N3 C9 N5 0.4(3) . . . . ?
C8 N4 N5 C9 0.2(3) . . . . ?
C9 N3 C8 N2 -179.5(3) . . . . ?
C9 N3 C8 N4 -0.3(3) . . . . ?
C10 C11 C12 C13 178.9(3) . . . . ?
C11 C12 C13 C11 0.4(5) . . . 2_656 ?
C13 C11 C12 C13 -0.4(5) 2_656 . . . ?
C15 N6 C14 O6 175.5(3) . . . . ?
C16 N6 C14 O6 1.5(5) . . . . ?
C17 N7 C18 O8 179.0(9) . . . . ?
C19 N7 C18 O8 -2.3(8) . . . . ?
C20 N8 C22 O9 4.3(7) . . . . ?
C20 N8 C22 O10 -176.7(6) . . . . ?
C21 N8 C22 O9 -178.2(5) . . . . ?
C21 N8 C22 O10 0.8(8) . . . . ?
C17A N7A C18A O8A -180(13) . . . . ?
C19A N7A C18A O8A -21(22) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
