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

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

data_DyNa
_database_code_depnum_ccdc_archive 'CCDC 1985056'
loop_
_audit_author_name
_audit_author_address
'Jiong-Peng Zhao'
;Tianjin University Of Technology
China
;
_audit_update_record             
;
2020-02-19 deposited with the CCDC.	2020-12-14 downloaded from the CCDC.
;
_audit_creation_date             2017-05-12
_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         'C36 H24 Dy N4 Na O4'
_chemical_formula_sum            'C36 H24 Dy N4 Na O4'
_chemical_formula_weight         762.08
_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 0.0033 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'
Na Na 0.0362 0.0249 '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           13
_space_group_name_H-M_alt        'P 1 2/n 1'
_space_group_name_Hall           '-P 2yac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z-1/2'

_cell_length_a                   13.8362(11)
_cell_length_b                   7.5279(6)
_cell_length_c                   14.2270(12)
_cell_angle_alpha                90
_cell_angle_beta                 90.895(7)
_cell_angle_gamma                90
_cell_volume                     1481.7(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    1973
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.0920
_cell_measurement_theta_min      2.6900
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.585
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.63762
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.7e (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.708
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             754
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1119
_diffrn_reflns_av_unetI/netI     0.2299
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.862
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8212
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.862
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         33.068
_diffrn_reflns_theta_min         2.037
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.862
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -45.00  75.00   1.00   20.00    --   30.00  54.00 240.00  120
  2  ω      3.00 108.00   1.00   20.00    --   30.00  54.00 120.00  105
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0407085000
_diffrn_orient_matrix_UB_12      -0.0181267000
_diffrn_orient_matrix_UB_13      0.0281453000
_diffrn_orient_matrix_UB_21      0.0311755000
_diffrn_orient_matrix_UB_22      -0.0256827000
_diffrn_orient_matrix_UB_23      0.0376847000
_diffrn_orient_matrix_UB_31      0.0006839000
_diffrn_orient_matrix_UB_32      0.0888086000
_diffrn_orient_matrix_UB_33      0.0165492000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2476
_reflns_number_total             4856
_reflns_odcompleteness_completeness 86.27
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     32.99
_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 1.171.39.7e (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.7e (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.7e (Rigaku OD, 2015)'
_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         3.615
_refine_diff_density_min         -4.423
_refine_diff_density_rms         0.372
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     209
_refine_ls_number_reflns         4856
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1825
_refine_ls_R_factor_gt           0.0799
_refine_ls_restrained_S_all      1.034
_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)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1682
_refine_ls_wR_factor_ref         0.2733
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C00A(H00A), C00C(H00C), C00D(H00D), C00E(H00E), C00G(H00G), C00I(H00I),
 C00J(H00J), C00K(H00K), C00L(H00L), C00M(H00M), C00N(H00N), C4(H4)
;
_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
Dy01 Dy 0.7500 1.09128(8) 0.2500 0.0270(2) Uani 1 2 d S T P . .
Na02 Na 0.7500 1.5921(7) 0.2500 0.0390(17) Uani 1 2 d S T P . .
O003 O 0.8520(5) 1.3415(10) 0.2638(6) 0.0308(16) Uani 1 1 d . . . . .
O004 O 0.6901(5) 0.8432(10) 0.3269(5) 0.0326(18) Uani 1 1 d . . . . .
N005 N 0.7079(7) 1.1458(12) 0.4229(6) 0.0305(19) Uani 1 1 d . . . . .
N006 N 0.5913(7) 1.0297(12) 0.1619(6) 0.034(2) Uani 1 1 d . . . . .
C007 C 0.5234(9) 1.1644(14) 0.1694(7) 0.034(2) Uani 1 1 d . . . . .
C009 C 0.6269(10) 1.0222(17) 0.5569(8) 0.043(3) Uani 1 1 d . . . . .
C00A C 0.4901(10) 1.4596(18) 0.2216(9) 0.043(3) Uani 1 1 d . . . . .
H00A H 0.5087 1.5654 0.2505 0.052 Uiso 1 1 calc R . . . .
C00B C 0.4259(10) 1.144(2) 0.1401(9) 0.047(3) Uani 1 1 d . . . . .
C00C C 0.5629(11) 0.8772(17) 0.1231(9) 0.046(3) Uani 1 1 d . . . . .
H00C H 0.6081 0.7865 0.1181 0.055 Uiso 1 1 calc R . . . .
C00D C 0.5802(11) 0.8705(19) 0.5954(8) 0.049(3) Uani 1 1 d . . . . .
H00D H 0.5579 0.8730 0.6567 0.058 Uiso 1 1 calc R . . . .
C00E C 0.4028(11) 0.978(2) 0.0981(9) 0.051(3) Uani 1 1 d . . . . .
H00E H 0.3402 0.9589 0.0757 0.061 Uiso 1 1 calc R . . . .
C00F C 0.6550(9) 0.8484(14) 0.4108(8) 0.035(2) Uani 1 1 d . . . . .
C00G C 0.4696(11) 0.8455(18) 0.0894(10) 0.054(4) Uani 1 1 d . . . . .
H00G H 0.4531 0.7374 0.0619 0.065 Uiso 1 1 calc R . . . .
C00I C 0.7204(9) 1.2975(16) 0.4716(9) 0.041(3) Uani 1 1 d . . . . .
H00I H 0.7525 1.3915 0.4434 0.049 Uiso 1 1 calc R . . . .
C00J C 0.6863(11) 1.3191(17) 0.5642(8) 0.051(4) Uani 1 1 d . . . . .
H00J H 0.6955 1.4260 0.5959 0.061 Uiso 1 1 calc R . . . .
C00K C 0.3611(10) 1.287(2) 0.1535(11) 0.063(4) Uani 1 1 d . . . . .
H00K H 0.2962 1.2769 0.1361 0.076 Uiso 1 1 calc R . . . .
C00L C 0.6401(11) 1.1819(19) 0.6061(8) 0.053(4) Uani 1 1 d . . . . .
H00L H 0.6174 1.1937 0.6669 0.063 Uiso 1 1 calc R . . . .
C00M C 0.6065(10) 0.7064(17) 0.4518(8) 0.046(3) Uani 1 1 d . . . . .
H00M H 0.5993 0.6003 0.4189 0.055 Uiso 1 1 calc R . . . .
C00N C 0.5684(9) 0.7226(19) 0.5421(9) 0.043(3) Uani 1 1 d . . . . .
H00N H 0.5336 0.6280 0.5665 0.052 Uiso 1 1 calc R . . . .
C2 C 0.5589(7) 1.3285(15) 0.2097(7) 0.029(2) Uani 1 1 d . . . . .
C3 C 0.6617(8) 1.0093(15) 0.4653(6) 0.030(2) Uani 1 1 d . . . . .
C4 C 0.3961(12) 1.440(2) 0.1928(11) 0.056(4) Uani 1 1 d . . . . .
H4 H 0.3541 1.5354 0.2003 0.067 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy01 Na02 3.758(6) 1_545 ?
Dy01 Na02 3.770(6) . ?
Dy01 O003 2.360(7) 2_655 ?
Dy01 O003 2.360(7) . ?
Dy01 O004 2.324(7) 2_655 ?
Dy01 O004 2.324(7) . ?
Dy01 N005 2.570(9) . ?
Dy01 N005 2.570(9) 2_655 ?
Dy01 N006 2.553(10) . ?
Dy01 N006 2.553(10) 2_655 ?
Na02 Dy01 3.758(6) 1_565 ?
Na02 O003 2.362(8) . ?
Na02 O003 2.362(8) 2_655 ?
Na02 O004 2.342(8) 1_565 ?
Na02 O004 2.342(8) 2_665 ?
O003 C2 1.287(11) 2_655 ?
O004 Na02 2.342(8) 1_545 ?
O004 C00F 1.297(12) . ?
N005 C00I 1.345(14) . ?
N005 C3 1.357(14) . ?
N006 C007 1.388(15) . ?
N006 C00C 1.331(15) . ?
C007 C00B 1.414(17) . ?
C007 C2 1.445(15) . ?
C009 C00D 1.427(19) . ?
C009 C00L 1.401(19) . ?
C009 C3 1.400(15) . ?
C00A H00A 0.9300 . ?
C00A C2 1.383(16) . ?
C00A C4 1.365(19) . ?
C00B C00E 1.42(2) . ?
C00B C00K 1.41(2) . ?
C00C H00C 0.9300 . ?
C00C C00G 1.390(19) . ?
C00D H00D 0.9300 . ?
C00D C00N 1.355(19) . ?
C00E H00E 0.9300 . ?
C00E C00G 1.37(2) . ?
C00F C00M 1.395(16) . ?
C00F C3 1.440(15) . ?
C00G H00G 0.9300 . ?
C00I H00I 0.9300 . ?
C00I C00J 1.415(16) . ?
C00J H00J 0.9300 . ?
C00J C00L 1.358(19) . ?
C00K H00K 0.9300 . ?
C00K C4 1.37(2) . ?
C00L H00L 0.9300 . ?
C00M H00M 0.9300 . ?
C00M C00N 1.403(16) . ?
C00N H00N 0.9300 . ?
C2 O003 1.287(11) 2_655 ?
C4 H4 0.9300 . ?

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
Na02 Dy01 Na02 180.0 1_545 . ?
O003 Dy01 Na02 142.95(16) 2_655 1_545 ?
O003 Dy01 Na02 37.05(16) 2_655 . ?
O003 Dy01 Na02 142.95(16) . 1_545 ?
O003 Dy01 Na02 37.05(16) . . ?
O003 Dy01 O003 74.1(3) 2_655 . ?
O003 Dy01 N005 78.9(3) 2_655 . ?
O003 Dy01 N005 86.4(3) 2_655 2_655 ?
O003 Dy01 N005 78.9(3) . 2_655 ?
O003 Dy01 N005 86.4(3) . . ?
O003 Dy01 N006 134.0(3) 2_655 2_655 ?
O003 Dy01 N006 66.1(3) 2_655 . ?
O003 Dy01 N006 66.1(3) . 2_655 ?
O003 Dy01 N006 134.0(3) . . ?
O004 Dy01 Na02 36.52(17) . 1_545 ?
O004 Dy01 Na02 143.48(17) . . ?
O004 Dy01 Na02 143.48(17) 2_655 . ?
O004 Dy01 Na02 36.52(17) 2_655 1_545 ?
O004 Dy01 O003 117.6(2) . 2_655 ?
O004 Dy01 O003 117.6(2) 2_655 . ?
O004 Dy01 O003 145.0(3) . . ?
O004 Dy01 O003 145.0(3) 2_655 2_655 ?
O004 Dy01 O004 73.0(3) . 2_655 ?
O004 Dy01 N005 131.8(3) 2_655 . ?
O004 Dy01 N005 131.8(3) . 2_655 ?
O004 Dy01 N005 65.8(3) . . ?
O004 Dy01 N005 65.8(3) 2_655 2_655 ?
O004 Dy01 N006 77.0(3) . . ?
O004 Dy01 N006 86.2(3) . 2_655 ?
O004 Dy01 N006 77.0(3) 2_655 2_655 ?
O004 Dy01 N006 86.2(3) 2_655 . ?
N005 Dy01 Na02 99.2(2) 2_655 1_545 ?
N005 Dy01 Na02 80.8(2) . . ?
N005 Dy01 Na02 80.8(2) 2_655 . ?
N005 Dy01 Na02 99.2(2) . 1_545 ?
N005 Dy01 N005 161.6(4) 2_655 . ?
N006 Dy01 Na02 79.5(2) 2_655 1_545 ?
N006 Dy01 Na02 79.5(2) . 1_545 ?
N006 Dy01 Na02 100.5(2) . . ?
N006 Dy01 Na02 100.5(2) 2_655 . ?
N006 Dy01 N005 76.4(3) 2_655 . ?
N006 Dy01 N005 107.0(3) . . ?
N006 Dy01 N005 76.4(3) . 2_655 ?
N006 Dy01 N005 107.0(3) 2_655 2_655 ?
N006 Dy01 N006 159.1(4) 2_655 . ?
Dy01 Na02 Dy01 180.0 1_565 . ?
O003 Na02 Dy01 37.01(19) . . ?
O003 Na02 Dy01 37.01(19) 2_655 . ?
O003 Na02 Dy01 142.99(19) 2_655 1_565 ?
O003 Na02 Dy01 142.99(19) . 1_565 ?
O003 Na02 O003 74.0(4) 2_655 . ?
O004 Na02 Dy01 36.18(18) 1_565 1_565 ?
O004 Na02 Dy01 143.82(18) 1_565 . ?
O004 Na02 Dy01 143.82(18) 2_665 . ?
O004 Na02 Dy01 36.18(18) 2_665 1_565 ?
O004 Na02 O003 117.9(2) 1_565 2_655 ?
O004 Na02 O003 145.2(3) 1_565 . ?
O004 Na02 O003 117.9(2) 2_665 . ?
O004 Na02 O003 145.2(3) 2_665 2_655 ?
O004 Na02 O004 72.4(4) 1_565 2_665 ?
Dy01 O003 Na02 105.9(3) . . ?
C2 O003 Dy01 122.2(7) 2_655 . ?
C2 O003 Na02 130.8(7) 2_655 . ?
Dy01 O004 Na02 107.3(3) . 1_545 ?
C00F O004 Dy01 123.4(7) . . ?
C00F O004 Na02 126.5(7) . 1_545 ?
C00I N005 Dy01 126.8(8) . . ?
C00I N005 C3 118.2(10) . . ?
C3 N005 Dy01 114.8(7) . . ?
C007 N006 Dy01 114.1(7) . . ?
C00C N006 Dy01 127.4(9) . . ?
C00C N006 C007 117.7(11) . . ?
N006 C007 C00B 122.9(11) . . ?
N006 C007 C2 115.4(11) . . ?
C00B C007 C2 121.7(11) . . ?
C00L C009 C00D 123.5(12) . . ?
C3 C009 C00D 117.8(12) . . ?
C3 C009 C00L 118.7(12) . . ?
C2 C00A H00A 118.6 . . ?
C4 C00A H00A 118.6 . . ?
C4 C00A C2 122.8(13) . . ?
C007 C00B C00E 115.2(13) . . ?
C007 C00B C00K 118.9(13) . . ?
C00K C00B C00E 125.9(13) . . ?
N006 C00C H00C 118.0 . . ?
N006 C00C C00G 124.0(13) . . ?
C00G C00C H00C 118.0 . . ?
C009 C00D H00D 120.2 . . ?
C00N C00D C009 119.6(11) . . ?
C00N C00D H00D 120.2 . . ?
C00B C00E H00E 118.9 . . ?
C00G C00E C00B 122.2(13) . . ?
C00G C00E H00E 118.9 . . ?
O004 C00F C00M 123.4(11) . . ?
O004 C00F C3 119.9(10) . . ?
C00M C00F C3 116.6(10) . . ?
C00C C00G H00G 121.0 . . ?
C00E C00G C00C 117.9(13) . . ?
C00E C00G H00G 121.0 . . ?
N005 C00I H00I 118.8 . . ?
N005 C00I C00J 122.3(12) . . ?
C00J C00I H00I 118.8 . . ?
C00I C00J H00J 120.4 . . ?
C00L C00J C00I 119.1(12) . . ?
C00L C00J H00J 120.4 . . ?
C00B C00K H00K 120.8 . . ?
C4 C00K C00B 118.3(13) . . ?
C4 C00K H00K 120.8 . . ?
C009 C00L H00L 120.3 . . ?
C00J C00L C009 119.5(11) . . ?
C00J C00L H00L 120.3 . . ?
C00F C00M H00M 119.8 . . ?
C00F C00M C00N 120.4(12) . . ?
C00N C00M H00M 119.8 . . ?
C00D C00N C00M 122.7(13) . . ?
C00D C00N H00N 118.6 . . ?
C00M C00N H00N 118.6 . . ?
O003 C2 C007 120.0(10) 2_655 . ?
O003 C2 C00A 124.6(11) 2_655 . ?
C00A C2 C007 115.3(10) . . ?
N005 C3 C009 122.2(10) . . ?
N005 C3 C00F 115.1(9) . . ?
C009 C3 C00F 122.6(11) . . ?
C00A C4 C00K 122.9(14) . . ?
C00A C4 H4 118.6 . . ?
C00K C4 H4 118.6 . . ?

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
Dy01 O004 C00F C00M 170.4(10) . . . . ?
Dy01 O004 C00F C3 -7.0(16) . . . . ?
Dy01 N005 C00I C00J 173.8(9) . . . . ?
Dy01 N005 C3 C009 -174.9(9) . . . . ?
Dy01 N005 C3 C00F 7.8(13) . . . . ?
Dy01 N006 C007 C00B -168.7(9) . . . . ?
Dy01 N006 C007 C2 11.1(11) . . . . ?
Dy01 N006 C00C C00G 169.3(10) . . . . ?
Na02 O004 C00F C00M -30.9(17) 1_545 . . . ?
Na02 O004 C00F C3 151.7(8) 1_545 . . . ?
O004 C00F C00M C00N -178.5(12) . . . . ?
O004 C00F C3 N005 -1.4(17) . . . . ?
O004 C00F C3 C009 -178.7(11) . . . . ?
N005 C00I C00J C00L 1(2) . . . . ?
N006 C007 C00B C00E -2.8(17) . . . . ?
N006 C007 C00B C00K 177.8(12) . . . . ?
N006 C007 C2 O003 -0.3(14) . . . 2_655 ?
N006 C007 C2 C00A -176.8(9) . . . . ?
N006 C00C C00G C00E -1(2) . . . . ?
C007 N006 C00C C00G 0.2(19) . . . . ?
C007 C00B C00E C00G 1.9(19) . . . . ?
C007 C00B C00K C4 1(2) . . . . ?
C009 C00D C00N C00M 5(2) . . . . ?
C00B C007 C2 O003 179.5(10) . . . 2_655 ?
C00B C007 C2 C00A 3.1(16) . . . . ?
C00B C00E C00G C00C 0(2) . . . . ?
C00B C00K C4 C00A -2(2) . . . . ?
C00C N006 C007 C00B 1.8(16) . . . . ?
C00C N006 C007 C2 -178.3(10) . . . . ?
C00D C009 C00L C00J 179.4(14) . . . . ?
C00D C009 C3 N005 -179.4(11) . . . . ?
C00D C009 C3 C00F -2.3(19) . . . . ?
C00E C00B C00K C4 -178.1(14) . . . . ?
C00F C00M C00N C00D -3(2) . . . . ?
C00I N005 C3 C009 0.1(17) . . . . ?
C00I N005 C3 C00F -177.2(11) . . . . ?
C00I C00J C00L C009 0(2) . . . . ?
C00K C00B C00E C00G -178.7(14) . . . . ?
C00L C009 C00D C00N 178.4(14) . . . . ?
C00L C009 C3 N005 0.3(19) . . . . ?
C00L C009 C3 C00F 177.4(12) . . . . ?
C00M C00F C3 N005 -179.0(11) . . . . ?
C00M C00F C3 C009 3.7(19) . . . . ?
C2 C007 C00B C00E 177.4(11) . . . . ?
C2 C007 C00B C00K -2.1(18) . . . . ?
C2 C00A C4 C00K 3(2) . . . . ?
C3 N005 C00I C00J -0.6(19) . . . . ?
C3 C009 C00D C00N -2(2) . . . . ?
C3 C009 C00L C00J 0(2) . . . . ?
C3 C00F C00M C00N -1.1(19) . . . . ?
C4 C00A C2 O003 -179.7(12) . . . 2_655 ?
C4 C00A C2 C007 -3.5(18) . . . . ?

_shelx_SHELXL_version_number     2014/7
_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 1.290
_oxdiff_exptl_absorpt_empirical_full_min 0.725
####################################################################### 
# 
# 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_DyYNa
_database_code_depnum_ccdc_archive 'CCDC 1985057'
loop_
_audit_author_name
_audit_author_address
'Jiong-Peng Zhao'
;Tianjin University Of Technology
China
;
_audit_update_record             
;
2020-02-19 deposited with the CCDC.	2020-12-14 downloaded from the CCDC.
;
_audit_creation_date             2020-02-19
_audit_creation_method           
;
Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H24 Dy0.02 N4 Na O4 Y0.98'
_chemical_formula_sum            'C36 H24 Dy0.02 N4 Na O4 Y0.98'
_chemical_formula_weight         689.96
_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 0.0033 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'
Na Na 0.0362 0.0249 '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'
Y Y -2.7962 3.5667 '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           13
_space_group_name_H-M_alt        'P 1 2/n 1'
_space_group_name_Hall           '-P 2yac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z-1/2'

_cell_length_a                   13.824(3)
_cell_length_b                   7.4901(15)
_cell_length_c                   14.298(3)
_cell_angle_alpha                90
_cell_angle_beta                 91.05(2)
_cell_angle_gamma                90
_cell_volume                     1480.2(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    833
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.9580
_cell_measurement_theta_min      2.1030
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.045
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.30062
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.7e (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.548
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             701
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1182
_diffrn_reflns_av_unetI/netI     0.1968
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            4410
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.010
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_min         2.719
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -75.00 120.00   1.00   10.00    --   30.00  54.00   0.00  195
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0073719000
_diffrn_orient_matrix_UB_12      -0.0085160000
_diffrn_orient_matrix_UB_13      -0.0490597000
_diffrn_orient_matrix_UB_21      0.0496978000
_diffrn_orient_matrix_UB_22      -0.0202570000
_diffrn_orient_matrix_UB_23      -0.0054765000
_diffrn_orient_matrix_UB_31      -0.0104133000
_diffrn_orient_matrix_UB_32      -0.0920325000
_diffrn_orient_matrix_UB_33      0.0054331000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1557
_reflns_number_total             2582
_reflns_odcompleteness_completeness 84.58
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     32.97
_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 1.171.39.7e (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.7e (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.7e (Rigaku OD, 2015)'
_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 (Sheldrick, 2015)'
_refine_diff_density_max         1.535
_refine_diff_density_min         -1.313
_refine_diff_density_rms         0.148
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     209
_refine_ls_number_reflns         2582
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1477
_refine_ls_R_factor_gt           0.0998
_refine_ls_restrained_S_all      1.008
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2145
_refine_ls_wR_factor_ref         0.2597
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Shared sites
{Dy1, Y00}
3. Uiso/Uaniso restraints and constraints
Uanis(Dy1) = Uanis(Y00)
4. Others
 Fixed Sof: Y00(0.49) Dy1(0.01)
5.a Aromatic/amide H refined with riding coordinates:
 C8(H8), C7(H7), C9(H9), C16(H16), C2(H2), C4(H4), C3(H3), C11(H11), C18(H18),
 C13(H13), C17(H17), C12(H12)
;
_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
Y00 Y 0.250000 0.59080(16) 0.750000 0.0266(4) Uani 0.98 2 d S T P . .
Dy1 Dy 0.250000 0.59080(16) 0.750000 0.0266(4) Uani 0.02 2 d S T P . .
Na1 Na 0.250000 0.0896(6) 0.750000 0.0353(13) Uani 1 2 d S T P . .
O1 O 0.3070(5) 0.3425(8) 0.6739(4) 0.0331(16) Uani 1 1 d . . . . .
O2 O 0.3483(4) 0.8377(8) 0.7642(5) 0.0338(16) Uani 1 1 d . . . . .
N1 N 0.2888(5) 0.6483(9) 0.5782(6) 0.0302(19) Uani 1 1 d . . . . .
N2 N 0.4073(5) 0.5264(10) 0.8378(5) 0.0288(18) Uani 1 1 d . . . . .
C6 C 0.3365(6) 0.5115(11) 0.5349(6) 0.028(2) Uani 1 1 d . . . . .
C1 C 0.3454(6) 0.3514(12) 0.5893(7) 0.030(2) Uani 1 1 d . . . . .
C15 C 0.4736(6) 0.6585(11) 0.8299(6) 0.025(2) Uani 1 1 d . . . . .
C8 C 0.3111(8) 0.8199(15) 0.4388(8) 0.047(3) Uani 1 1 d . . . . .
H8 H 0.300499 0.927095 0.407426 0.057 Uiso 1 1 calc R U . . .
C5 C 0.3750(7) 0.5200(13) 0.4439(7) 0.035(2) Uani 1 1 d . . . . .
C10 C 0.4403(6) 0.8275(11) 0.7911(6) 0.026(2) Uani 1 1 d . . . . .
C7 C 0.2776(7) 0.7992(12) 0.5292(7) 0.035(2) Uani 1 1 d . . . . .
H7 H 0.245994 0.894555 0.556899 0.042 Uiso 1 1 calc R U . . .
C9 C 0.3594(8) 0.6850(14) 0.3952(7) 0.043(3) Uani 1 1 d . . . . .
H9 H 0.381892 0.700199 0.334795 0.051 Uiso 1 1 calc R U . . .
C14 C 0.5728(7) 0.6415(15) 0.8613(7) 0.042(3) Uani 1 1 d . . . . .
C16 C 0.4353(7) 0.3751(12) 0.8773(7) 0.038(3) Uani 1 1 d . . . . .
H16 H 0.390246 0.283939 0.883666 0.046 Uiso 1 1 calc R U . . .
C2 C 0.3947(7) 0.2098(13) 0.5484(7) 0.040(3) Uani 1 1 d . . . . .
H2 H 0.402473 0.103787 0.581631 0.048 Uiso 1 1 calc R U . . .
C4 C 0.4233(7) 0.3763(15) 0.4067(7) 0.044(3) Uani 1 1 d . . . . .
H4 H 0.449049 0.383260 0.347137 0.053 Uiso 1 1 calc R U . . .
C3 C 0.4330(7) 0.2233(14) 0.4583(8) 0.044(3) Uani 1 1 d . . . . .
H3 H 0.465536 0.126249 0.433243 0.052 Uiso 1 1 calc R U . . .
C11 C 0.5083(7) 0.9594(14) 0.7779(7) 0.041(3) Uani 1 1 d . . . . .
H11 H 0.489685 1.065502 0.749025 0.049 Uiso 1 1 calc R U . . .
C18 C 0.5976(8) 0.4742(14) 0.9009(8) 0.045(3) Uani 1 1 d . . . . .
H18 H 0.661117 0.453158 0.920479 0.054 Uiso 1 1 calc R U . . .
C13 C 0.6369(7) 0.7820(15) 0.8462(8) 0.053(3) Uani 1 1 d . . . . .
H13 H 0.701898 0.769844 0.862934 0.063 Uiso 1 1 calc R U . . .
C17 C 0.5316(9) 0.3462(14) 0.9106(8) 0.055(3) Uani 1 1 d . . . . .
H17 H 0.548418 0.238540 0.939002 0.067 Uiso 1 1 calc R U . . .
C12 C 0.6043(7) 0.9368(16) 0.8071(8) 0.050(3) Uani 1 1 d . . . . .
H12 H 0.647437 1.030684 0.799510 0.059 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Na1 3.736(5) 1_565 ?
Dy1 Na1 3.754(5) . ?
Dy1 O1 2.301(6) . ?
Dy1 O1 2.301(6) 2_556 ?
Dy1 O2 2.302(6) 2_556 ?
Dy1 O2 2.302(6) . ?
Dy1 N1 2.561(8) . ?
Dy1 N1 2.560(8) 2_556 ?
Dy1 N2 2.538(7) . ?
Dy1 N2 2.538(7) 2_556 ?
Na1 O1 2.329(7) 2_556 ?
Na1 O1 2.329(7) . ?
Na1 O2 2.331(7) 2_546 ?
Na1 O2 2.331(7) 1_545 ?
O1 C1 1.331(11) . ?
O2 C10 1.324(10) . ?
N1 C6 1.372(11) . ?
N1 C7 1.337(11) . ?
N2 C15 1.355(11) . ?
N2 C16 1.321(11) . ?
C6 C1 1.434(12) . ?
C6 C5 1.416(13) . ?
C1 C2 1.396(13) . ?
C15 C10 1.453(12) . ?
C15 C14 1.441(12) . ?
C8 H8 0.9300 . ?
C8 C7 1.390(14) . ?
C8 C9 1.367(15) . ?
C5 C9 1.433(14) . ?
C5 C4 1.379(14) . ?
C10 C11 1.379(13) . ?
C7 H7 0.9300 . ?
C9 H9 0.9300 . ?
C14 C18 1.415(14) . ?
C14 C13 1.395(14) . ?
C16 H16 0.9300 . ?
C16 C17 1.422(14) . ?
C2 H2 0.9300 . ?
C2 C3 1.406(14) . ?
C4 H4 0.9300 . ?
C4 C3 1.368(15) . ?
C3 H3 0.9300 . ?
C11 H11 0.9300 . ?
C11 C12 1.394(13) . ?
C18 H18 0.9300 . ?
C18 C17 1.333(15) . ?
C13 H13 0.9300 . ?
C13 C12 1.361(15) . ?
C17 H17 0.9300 . ?
C12 H12 0.9300 . ?

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
Na1 Dy1 Na1 180.0 1_565 . ?
O1 Dy1 Na1 143.92(16) . 1_565 ?
O1 Dy1 Na1 36.08(16) . . ?
O1 Dy1 Na1 143.92(16) 2_556 1_565 ?
O1 Dy1 Na1 36.08(16) 2_556 . ?
O1 Dy1 O1 72.2(3) . 2_556 ?
O1 Dy1 N1 66.6(2) . . ?
O1 Dy1 N1 132.0(2) . 2_556 ?
O1 Dy1 N1 66.6(2) 2_556 2_556 ?
O1 Dy1 N1 132.0(2) 2_556 . ?
O1 Dy1 N2 84.8(2) . 2_556 ?
O1 Dy1 N2 77.4(2) . . ?
O1 Dy1 N2 77.4(2) 2_556 2_556 ?
O1 Dy1 N2 84.8(2) 2_556 . ?
O2 Dy1 Na1 36.53(15) . 1_565 ?
O2 Dy1 Na1 143.47(15) . . ?
O2 Dy1 Na1 143.47(15) 2_556 . ?
O2 Dy1 Na1 36.53(15) 2_556 1_565 ?
O2 Dy1 O1 119.0(2) . . ?
O2 Dy1 O1 119.0(2) 2_556 2_556 ?
O2 Dy1 O1 144.5(2) . 2_556 ?
O2 Dy1 O1 144.5(2) 2_556 . ?
O2 Dy1 O2 73.1(3) . 2_556 ?
O2 Dy1 N1 85.1(2) 2_556 . ?
O2 Dy1 N1 85.1(2) . 2_556 ?
O2 Dy1 N1 79.4(2) . . ?
O2 Dy1 N1 79.4(2) 2_556 2_556 ?
O2 Dy1 N2 67.0(2) . . ?
O2 Dy1 N2 134.1(2) . 2_556 ?
O2 Dy1 N2 67.0(2) 2_556 2_556 ?
O2 Dy1 N2 134.1(2) 2_556 . ?
N1 Dy1 Na1 80.32(16) 2_556 1_565 ?
N1 Dy1 Na1 99.68(16) . . ?
N1 Dy1 Na1 99.68(16) 2_556 . ?
N1 Dy1 Na1 80.32(16) . 1_565 ?
N1 Dy1 N1 160.6(3) 2_556 . ?
N2 Dy1 Na1 100.96(17) 2_556 1_565 ?
N2 Dy1 Na1 100.96(17) . 1_565 ?
N2 Dy1 Na1 79.04(17) . . ?
N2 Dy1 Na1 79.04(17) 2_556 . ?
N2 Dy1 N1 75.5(2) 2_556 . ?
N2 Dy1 N1 108.3(2) . . ?
N2 Dy1 N1 75.5(2) . 2_556 ?
N2 Dy1 N1 108.3(2) 2_556 2_556 ?
N2 Dy1 N2 158.1(3) 2_556 . ?
Y00 Na1 Dy1 180.0 1_545 . ?
O1 Na1 Y00 144.43(16) . 1_545 ?
O1 Na1 Y00 144.43(16) 2_556 1_545 ?
O1 Na1 Dy1 35.57(16) . . ?
O1 Na1 Dy1 35.57(16) 2_556 . ?
O1 Na1 O1 71.1(3) 2_556 . ?
O2 Na1 Y00 36.00(16) 2_546 1_545 ?
O2 Na1 Y00 36.00(16) 1_545 1_545 ?
O2 Na1 Dy1 144.00(16) 2_546 . ?
O2 Na1 Dy1 144.00(16) 1_545 . ?
O2 Na1 O1 145.0(2) 2_546 . ?
O2 Na1 O1 119.8(2) 1_545 . ?
O2 Na1 O1 119.8(2) 2_546 2_556 ?
O2 Na1 O1 145.0(2) 1_545 2_556 ?
O2 Na1 O2 72.0(3) 2_546 1_545 ?
Dy1 O1 Na1 108.3(3) . . ?
C1 O1 Dy1 122.3(5) . . ?
C1 O1 Na1 127.5(5) . . ?
Dy1 O2 Na1 107.5(2) . 1_565 ?
C10 O2 Dy1 122.8(5) . . ?
C10 O2 Na1 128.9(5) . 1_565 ?
C6 N1 Dy1 114.7(5) . . ?
C7 N1 Dy1 128.3(7) . . ?
C7 N1 C6 116.5(9) . . ?
C15 N2 Dy1 113.2(5) . . ?
C16 N2 Dy1 128.1(6) . . ?
C16 N2 C15 118.0(8) . . ?
N1 C6 C1 114.6(9) . . ?
N1 C6 C5 125.0(8) . . ?
C5 C6 C1 120.4(9) . . ?
O1 C1 C6 120.2(8) . . ?
O1 C1 C2 123.3(9) . . ?
C2 C1 C6 116.5(9) . . ?
N2 C15 C10 117.2(7) . . ?
N2 C15 C14 123.4(9) . . ?
C14 C15 C10 119.3(8) . . ?
C7 C8 H8 119.5 . . ?
C9 C8 H8 119.5 . . ?
C9 C8 C7 121.0(10) . . ?
C6 C5 C9 115.4(9) . . ?
C4 C5 C6 120.8(9) . . ?
C4 C5 C9 123.7(10) . . ?
O2 C10 C15 117.2(7) . . ?
O2 C10 C11 124.9(8) . . ?
C11 C10 C15 117.6(8) . . ?
N1 C7 C8 123.0(10) . . ?
N1 C7 H7 118.5 . . ?
C8 C7 H7 118.5 . . ?
C8 C9 C5 119.1(10) . . ?
C8 C9 H9 120.5 . . ?
C5 C9 H9 120.5 . . ?
C18 C14 C15 115.2(9) . . ?
C13 C14 C15 119.3(10) . . ?
C13 C14 C18 125.5(9) . . ?
N2 C16 H16 118.7 . . ?
N2 C16 C17 122.6(9) . . ?
C17 C16 H16 118.7 . . ?
C1 C2 H2 119.2 . . ?
C3 C2 C1 121.6(10) . . ?
C3 C2 H2 119.2 . . ?
C5 C4 H4 120.4 . . ?
C3 C4 C5 119.3(10) . . ?
C3 C4 H4 120.4 . . ?
C2 C3 H3 119.3 . . ?
C4 C3 C2 121.4(10) . . ?
C4 C3 H3 119.3 . . ?
C10 C11 H11 119.3 . . ?
C10 C11 C12 121.3(10) . . ?
C12 C11 H11 119.3 . . ?
C14 C18 H18 119.4 . . ?
C17 C18 C14 121.2(10) . . ?
C17 C18 H18 119.4 . . ?
C14 C13 H13 120.0 . . ?
C12 C13 C14 120.0(9) . . ?
C12 C13 H13 120.0 . . ?
C16 C17 H17 120.2 . . ?
C18 C17 C16 119.6(9) . . ?
C18 C17 H17 120.2 . . ?
C11 C12 H12 118.9 . . ?
C13 C12 C11 122.2(10) . . ?
C13 C12 H12 118.9 . . ?

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 C1 C6 -11.6(11) . . . . ?
Dy1 O1 C1 C2 169.0(6) . . . . ?
Dy1 O2 C10 C15 -12.1(11) . . . . ?
Dy1 O2 C10 C11 162.2(7) . . . . ?
Dy1 N1 C6 C1 7.5(9) . . . . ?
Dy1 N1 C6 C5 -172.5(7) . . . . ?
Dy1 N1 C7 C8 172.8(7) . . . . ?
Dy1 N2 C15 C10 12.4(10) . . . . ?
Dy1 N2 C15 C14 -170.2(7) . . . . ?
Dy1 N2 C16 C17 168.9(8) . . . . ?
Na1 O1 C1 C6 151.2(6) . . . . ?
Na1 O1 C1 C2 -28.2(12) . . . . ?
Na1 O2 C10 C15 155.6(6) 1_565 . . . ?
Na1 O2 C10 C11 -30.1(13) 1_565 . . . ?
O1 C1 C2 C3 179.0(9) . . . . ?
O2 C10 C11 C12 -178.9(9) . . . . ?
N1 C6 C1 O1 1.5(12) . . . . ?
N1 C6 C1 C2 -179.0(7) . . . . ?
N1 C6 C5 C9 -1.5(13) . . . . ?
N1 C6 C5 C4 178.9(8) . . . . ?
N2 C15 C10 O2 -1.7(13) . . . . ?
N2 C15 C10 C11 -176.4(8) . . . . ?
N2 C15 C14 C18 0.6(14) . . . . ?
N2 C15 C14 C13 177.0(9) . . . . ?
N2 C16 C17 C18 -1.0(18) . . . . ?
C6 N1 C7 C8 0.4(13) . . . . ?
C6 C1 C2 C3 -0.4(13) . . . . ?
C6 C5 C9 C8 0.8(13) . . . . ?
C6 C5 C4 C3 0.7(14) . . . . ?
C1 C6 C5 C9 178.4(8) . . . . ?
C1 C6 C5 C4 -1.2(13) . . . . ?
C1 C2 C3 C4 -0.1(15) . . . . ?
C15 N2 C16 C17 -0.6(15) . . . . ?
C15 C10 C11 C12 -4.6(14) . . . . ?
C15 C14 C18 C17 -2.2(16) . . . . ?
C15 C14 C13 C12 3.7(17) . . . . ?
C5 C6 C1 O1 -178.4(8) . . . . ?
C5 C6 C1 C2 1.1(12) . . . . ?
C5 C4 C3 C2 0.0(15) . . . . ?
C10 C15 C14 C18 177.9(9) . . . . ?
C10 C15 C14 C13 -5.6(14) . . . . ?
C10 C11 C12 C13 2.8(17) . . . . ?
C7 N1 C6 C1 -179.0(8) . . . . ?
C7 N1 C6 C5 0.9(12) . . . . ?
C7 C8 C9 C5 0.3(15) . . . . ?
C9 C8 C7 N1 -1.0(15) . . . . ?
C9 C5 C4 C3 -178.9(10) . . . . ?
C14 C15 C10 O2 -179.3(8) . . . . ?
C14 C15 C10 C11 6.0(13) . . . . ?
C14 C18 C17 C16 2.5(18) . . . . ?
C14 C13 C12 C11 -2.2(19) . . . . ?
C16 N2 C15 C10 -176.6(9) . . . . ?
C16 N2 C15 C14 0.8(14) . . . . ?
C4 C5 C9 C8 -179.5(9) . . . . ?
C18 C14 C13 C12 179.7(11) . . . . ?
C13 C14 C18 C17 -178.5(11) . . . . ?

_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 2.454
_oxdiff_exptl_absorpt_empirical_full_min 0.274
