# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_230608d_0m
_database_code_depnum_ccdc_archive 'CCDC 2524953'
loop_
_audit_author_name
_audit_author_address
'Chen Wang'
;Wuhan University of Technology
China
;
_audit_update_record             
;
2026-01-22 deposited with the CCDC.	2026-04-20 downloaded from the CCDC.
;
_audit_creation_date             2025-02-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H42 Cl2 Dy N3 O'
_chemical_formula_sum            'C25 H42 Cl2 Dy N3 O'
_chemical_formula_weight         634.01
_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 0.0137 0.0067 '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'
Cl Cl 0.3281 0.5435 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -5.9987 12.4498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 '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                   10.3923(4)
_cell_length_b                   10.9758(4)
_cell_length_c                   13.5542(5)
_cell_angle_alpha                75.400(2)
_cell_angle_beta                 73.024(2)
_cell_angle_gamma                75.3690(10)
_cell_volume                     1403.92(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9877
_cell_measurement_temperature    200.00
_cell_measurement_theta_max      72.43
_cell_measurement_theta_min      3.02
_shelx_estimated_absorpt_T_max   0.289
_shelx_estimated_absorpt_T_min   0.245
_exptl_absorpt_coefficient_mu    15.035
_exptl_absorpt_correction_T_max  0.7536
_exptl_absorpt_correction_T_min  0.2300
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1764 before and 0.0895 after correction.
The Ratio of minimum to maximum transmission is 0.3052.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             642
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0905
_diffrn_reflns_av_unetI/netI     0.0607
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            28925
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.998
_diffrn_reflns_theta_min         3.022
_diffrn_ambient_temperature      200.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34138
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4876
_reflns_number_total             5300
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         1.701
_refine_diff_density_min         -1.870
_refine_diff_density_rms         0.136
_refine_ls_extinction_coef       0.0107(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         5300
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0460
_refine_ls_R_factor_gt           0.0430
_refine_ls_restrained_S_all      1.080
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0734P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1109
_refine_ls_wR_factor_ref         0.1142
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C7(H7), C10(H10)
2.b Secondary CH2 refined with riding coordinates:
 C18(H18a,H18b), C19(H19a,H19b), C25(H25a,H25b), C24(H24a,H24b), C23(H23a,
 H23b), C22(H22a,H22b)
2.c Aromatic/amide H refined with riding coordinates:
 C15(H15), C5(H5), C4(H4), C3(H3)
2.d Idealised Me refined as rotating group:
 C17(H17a,H17b,H17c), C13(H13a,H13b,H13c), C21(H21a,H21b,H21c), C20(H20a,H20b,
 H20c), C8(H8a,H8b,H8c), C9(H9a,H9b,H9c), C12(H12a,H12b,H12c), C11(H11a,H11b,
 H11c)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.72023(2) 0.36457(2) 0.71579(2) 0.02386(14) Uani 1 1 d . . . . .
Cl1 Cl 0.98455(13) 0.31528(13) 0.65101(11) 0.0391(3) Uani 1 1 d . . . . .
Cl2 Cl 0.47328(13) 0.40181(13) 0.83406(11) 0.0358(3) Uani 1 1 d . . . . .
O1 O 0.7783(4) 0.3705(4) 0.8788(3) 0.0390(9) Uani 1 1 d . . . . .
N1 N 0.6955(4) 0.1777(4) 0.6738(3) 0.0254(9) Uani 1 1 d . . . . .
N2 N 0.6851(4) 0.4483(4) 0.5482(3) 0.0286(9) Uani 1 1 d . . . . .
N3 N 0.6986(5) 0.6062(4) 0.6784(4) 0.0372(10) Uani 1 1 d . . . . .
C17 C 0.7608(7) 0.4526(6) 0.3578(4) 0.0422(14) Uani 1 1 d . . . . .
H17A H 0.673485 0.501035 0.342546 0.063 Uiso 1 1 calc R U . . .
H17B H 0.803061 0.390859 0.310914 0.063 Uiso 1 1 calc R U . . .
H17C H 0.822356 0.511902 0.346880 0.063 Uiso 1 1 calc R U . . .
C16 C 0.7357(5) 0.3820(5) 0.4702(4) 0.0303(11) Uani 1 1 d . . . . .
C15 C 0.7668(5) 0.2479(5) 0.4855(4) 0.0327(11) Uani 1 1 d . . . . .
H15 H 0.813961 0.214523 0.423586 0.039 Uiso 1 1 calc R U . . .
C14 C 0.7396(5) 0.1540(5) 0.5776(4) 0.0290(11) Uani 1 1 d . . . . .
C13 C 0.7675(7) 0.0187(5) 0.5590(5) 0.0415(14) Uani 1 1 d . . . . .
H13A H 0.864716 -0.019354 0.553756 0.062 Uiso 1 1 calc R U . . .
H13B H 0.744483 0.020274 0.493454 0.062 Uiso 1 1 calc R U . . .
H13C H 0.711304 -0.032641 0.617695 0.062 Uiso 1 1 calc R U . . .
C18 C 0.6433(6) 0.5890(5) 0.5175(5) 0.0399(13) Uani 1 1 d . . . . .
H18A H 0.566837 0.608862 0.482782 0.048 Uiso 1 1 calc R U . . .
H18B H 0.721176 0.624887 0.467051 0.048 Uiso 1 1 calc R U . . .
C19 C 0.5991(6) 0.6481(5) 0.6128(5) 0.0431(14) Uani 1 1 d . . . . .
H19A H 0.584942 0.742650 0.590445 0.052 Uiso 1 1 calc R U . . .
H19B H 0.510110 0.625880 0.655471 0.052 Uiso 1 1 calc R U . . .
C21 C 0.6436(8) 0.6685(6) 0.7717(5) 0.0527(17) Uani 1 1 d . . . . .
H21A H 0.709157 0.641135 0.816030 0.079 Uiso 1 1 calc R U . . .
H21B H 0.556143 0.643597 0.811968 0.079 Uiso 1 1 calc R U . . .
H21C H 0.629363 0.761964 0.748449 0.079 Uiso 1 1 calc R U . . .
C20 C 0.8318(7) 0.6438(6) 0.6183(5) 0.0467(15) Uani 1 1 d . . . . .
H20A H 0.865961 0.607286 0.554396 0.070 Uiso 1 1 calc R U . . .
H20B H 0.898291 0.611485 0.661789 0.070 Uiso 1 1 calc R U . . .
H20C H 0.818815 0.737606 0.599028 0.070 Uiso 1 1 calc R U . . .
C1 C 0.6520(5) 0.0757(4) 0.7599(4) 0.0226(10) Uani 1 1 d . . . . .
C6 C 0.5139(5) 0.0609(4) 0.7876(4) 0.0262(10) Uani 1 1 d . . . . .
C5 C 0.4745(6) -0.0361(5) 0.8717(4) 0.0331(12) Uani 1 1 d . . . . .
H5 H 0.382678 -0.048849 0.890099 0.040 Uiso 1 1 calc R U . . .
C4 C 0.5648(6) -0.1144(5) 0.9291(4) 0.0344(12) Uani 1 1 d . . . . .
H4 H 0.534701 -0.177906 0.987855 0.041 Uiso 1 1 calc R U . . .
C3 C 0.6995(6) -0.0989(5) 0.8999(4) 0.0343(12) Uani 1 1 d . . . . .
H3 H 0.762518 -0.154303 0.937915 0.041 Uiso 1 1 calc R U . . .
C2 C 0.7448(5) -0.0047(5) 0.8168(4) 0.0284(11) Uani 1 1 d . . . . .
C7 C 0.8954(6) 0.0040(5) 0.7885(5) 0.0373(13) Uani 1 1 d . . . . .
H7 H 0.910497 0.076006 0.726874 0.045 Uiso 1 1 calc R U . . .
C8 C 0.9359(7) 0.0341(7) 0.8772(6) 0.0516(16) Uani 1 1 d . . . . .
H8A H 0.877177 0.113800 0.896588 0.077 Uiso 1 1 calc R U . . .
H8B H 1.031879 0.044126 0.854149 0.077 Uiso 1 1 calc R U . . .
H8C H 0.924943 -0.036332 0.938140 0.077 Uiso 1 1 calc R U . . .
C9 C 0.9926(7) -0.1201(7) 0.7562(6) 0.0542(17) Uani 1 1 d . . . . .
H9A H 0.986036 -0.190895 0.817122 0.081 Uiso 1 1 calc R U . . .
H9B H 1.087261 -0.106150 0.731191 0.081 Uiso 1 1 calc R U . . .
H9C H 0.965936 -0.141524 0.699979 0.081 Uiso 1 1 calc R U . . .
C10 C 0.4096(5) 0.1425(5) 0.7272(4) 0.0351(12) Uani 1 1 d . . . . .
H10 H 0.449711 0.217042 0.680591 0.042 Uiso 1 1 calc R U . . .
C12 C 0.3812(9) 0.0694(8) 0.6573(6) 0.065(2) Uani 1 1 d . . . . .
H12A H 0.464073 0.050202 0.601969 0.097 Uiso 1 1 calc R U . . .
H12B H 0.306825 0.121619 0.625338 0.097 Uiso 1 1 calc R U . . .
H12C H 0.354215 -0.010965 0.699540 0.097 Uiso 1 1 calc R U . . .
C11 C 0.2749(6) 0.1965(6) 0.8006(6) 0.0463(15) Uani 1 1 d . . . . .
H11A H 0.235136 0.125486 0.849501 0.069 Uiso 1 1 calc R U . . .
H11B H 0.210304 0.247800 0.758701 0.069 Uiso 1 1 calc R U . . .
H11C H 0.293477 0.250660 0.840307 0.069 Uiso 1 1 calc R U . . .
C25 C 0.6873(7) 0.3471(8) 0.9848(5) 0.0543(18) Uani 1 1 d . . . . .
H25A H 0.642733 0.273854 0.993900 0.065 Uiso 1 1 calc R U . . .
H25B H 0.615368 0.423964 0.997479 0.065 Uiso 1 1 calc R U . . .
C24 C 0.7794(7) 0.3173(7) 1.0583(6) 0.0543(17) Uani 1 1 d . . . . .
H24A H 0.729493 0.344714 1.125798 0.065 Uiso 1 1 calc R U . . .
H24B H 0.818984 0.224429 1.072309 0.065 Uiso 1 1 calc R U . . .
C23 C 0.8846(12) 0.3913(12) 1.0011(7) 0.097(4) Uani 1 1 d . . . . .
H23A H 0.971284 0.350585 1.022624 0.116 Uiso 1 1 calc R U . . .
H23B H 0.856054 0.479270 1.016003 0.116 Uiso 1 1 calc R U . . .
C22 C 0.9046(7) 0.3956(8) 0.8874(6) 0.0570(18) Uani 1 1 d . . . . .
H22A H 0.920504 0.480850 0.845726 0.068 Uiso 1 1 calc R U . . .
H22B H 0.983689 0.329335 0.862256 0.068 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 Cl1 2.5864(13) . ?
Dy1 Cl2 2.5925(13) . ?
Dy1 O1 2.475(4) . ?
Dy1 N1 2.354(4) . ?
Dy1 N2 2.324(4) . ?
Dy1 N3 2.535(4) . ?
O1 C25 1.472(7) . ?
O1 C22 1.448(7) . ?
N1 C14 1.319(7) . ?
N1 C1 1.453(6) . ?
N2 C16 1.340(7) . ?
N2 C18 1.479(7) . ?
N3 C19 1.471(8) . ?
N3 C21 1.487(8) . ?
N3 C20 1.487(7) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C17 C16 1.505(7) . ?
C16 C15 1.399(8) . ?
C15 H15 0.9500 . ?
C15 C14 1.411(7) . ?
C14 C13 1.511(7) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.492(9) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C1 C6 1.414(7) . ?
C1 C2 1.401(7) . ?
C6 C5 1.391(7) . ?
C6 C10 1.518(7) . ?
C5 H5 0.9500 . ?
C5 C4 1.381(8) . ?
C4 H4 0.9500 . ?
C4 C3 1.382(8) . ?
C3 H3 0.9500 . ?
C3 C2 1.381(7) . ?
C2 C7 1.521(7) . ?
C7 H7 1.0000 . ?
C7 C8 1.515(8) . ?
C7 C9 1.554(9) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10 1.0000 . ?
C10 C12 1.514(9) . ?
C10 C11 1.538(9) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C24 1.500(9) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C23 1.446(11) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C22 1.484(11) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?

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
Cl1 Dy1 Cl2 162.92(5) . . ?
O1 Dy1 Cl1 81.50(9) . . ?
O1 Dy1 Cl2 81.74(9) . . ?
O1 Dy1 N3 84.95(15) . . ?
N1 Dy1 Cl1 93.25(10) . . ?
N1 Dy1 Cl2 93.47(11) . . ?
N1 Dy1 O1 124.32(13) . . ?
N1 Dy1 N3 150.47(15) . . ?
N2 Dy1 Cl1 94.19(11) . . ?
N2 Dy1 Cl2 102.41(11) . . ?
N2 Dy1 O1 154.88(14) . . ?
N2 Dy1 N1 80.48(14) . . ?
N2 Dy1 N3 70.74(15) . . ?
N3 Dy1 Cl1 95.27(12) . . ?
N3 Dy1 Cl2 86.52(11) . . ?
C25 O1 Dy1 124.3(3) . . ?
C22 O1 Dy1 126.9(4) . . ?
C22 O1 C25 108.8(5) . . ?
C14 N1 Dy1 122.5(3) . . ?
C14 N1 C1 118.7(4) . . ?
C1 N1 Dy1 117.9(3) . . ?
C16 N2 Dy1 122.3(3) . . ?
C16 N2 C18 116.8(4) . . ?
C18 N2 Dy1 118.4(3) . . ?
C19 N3 Dy1 101.5(3) . . ?
C19 N3 C21 108.8(5) . . ?
C19 N3 C20 110.5(5) . . ?
C21 N3 Dy1 115.8(3) . . ?
C20 N3 Dy1 111.1(4) . . ?
C20 N3 C21 109.0(5) . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
N2 C16 C17 119.6(5) . . ?
N2 C16 C15 124.2(5) . . ?
C15 C16 C17 116.2(5) . . ?
C16 C15 H15 114.6 . . ?
C16 C15 C14 130.7(5) . . ?
C14 C15 H15 114.6 . . ?
N1 C14 C15 124.7(5) . . ?
N1 C14 C13 120.7(4) . . ?
C15 C14 C13 114.7(5) . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
C14 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N2 C18 H18A 109.7 . . ?
N2 C18 H18B 109.7 . . ?
N2 C18 C19 109.6(4) . . ?
H18A C18 H18B 108.2 . . ?
C19 C18 H18A 109.7 . . ?
C19 C18 H18B 109.7 . . ?
N3 C19 C18 113.2(5) . . ?
N3 C19 H19A 108.9 . . ?
N3 C19 H19B 108.9 . . ?
C18 C19 H19A 108.9 . . ?
C18 C19 H19B 108.9 . . ?
H19A C19 H19B 107.8 . . ?
N3 C21 H21A 109.5 . . ?
N3 C21 H21B 109.5 . . ?
N3 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N3 C20 H20A 109.5 . . ?
N3 C20 H20B 109.5 . . ?
N3 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C6 C1 N1 119.1(4) . . ?
C2 C1 N1 120.4(4) . . ?
C2 C1 C6 120.5(4) . . ?
C1 C6 C10 122.9(4) . . ?
C5 C6 C1 117.9(4) . . ?
C5 C6 C10 119.2(4) . . ?
C6 C5 H5 119.0 . . ?
C4 C5 C6 122.0(5) . . ?
C4 C5 H5 119.0 . . ?
C5 C4 H4 120.5 . . ?
C5 C4 C3 119.0(5) . . ?
C3 C4 H4 120.5 . . ?
C4 C3 H3 119.2 . . ?
C4 C3 C2 121.6(5) . . ?
C2 C3 H3 119.2 . . ?
C1 C2 C7 122.8(4) . . ?
C3 C2 C1 119.0(5) . . ?
C3 C2 C7 118.2(5) . . ?
C2 C7 H7 107.6 . . ?
C2 C7 C9 112.7(5) . . ?
C8 C7 C2 112.2(5) . . ?
C8 C7 H7 107.6 . . ?
C8 C7 C9 108.8(5) . . ?
C9 C7 H7 107.6 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 C10 H10 107.5 . . ?
C6 C10 C11 112.0(5) . . ?
C12 C10 C6 111.7(5) . . ?
C12 C10 H10 107.5 . . ?
C12 C10 C11 110.3(5) . . ?
C11 C10 H10 107.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O1 C25 H25A 110.8 . . ?
O1 C25 H25B 110.8 . . ?
O1 C25 C24 104.9(5) . . ?
H25A C25 H25B 108.8 . . ?
C24 C25 H25A 110.8 . . ?
C24 C25 H25B 110.8 . . ?
C25 C24 H24A 111.2 . . ?
C25 C24 H24B 111.2 . . ?
H24A C24 H24B 109.1 . . ?
C23 C24 C25 102.9(6) . . ?
C23 C24 H24A 111.2 . . ?
C23 C24 H24B 111.2 . . ?
C24 C23 H23A 110.2 . . ?
C24 C23 H23B 110.2 . . ?
C24 C23 C22 107.7(6) . . ?
H23A C23 H23B 108.5 . . ?
C22 C23 H23A 110.2 . . ?
C22 C23 H23B 110.2 . . ?
O1 C22 C23 104.9(6) . . ?
O1 C22 H22A 110.8 . . ?
O1 C22 H22B 110.8 . . ?
C23 C22 H22A 110.8 . . ?
C23 C22 H22B 110.8 . . ?
H22A C22 H22B 108.8 . . ?

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 C25 C24 161.7(4) . . . . ?
Dy1 O1 C22 C23 178.6(6) . . . . ?
Dy1 N1 C14 C15 -20.3(7) . . . . ?
Dy1 N1 C14 C13 158.6(4) . . . . ?
Dy1 N1 C1 C6 101.8(4) . . . . ?
Dy1 N1 C1 C2 -76.4(5) . . . . ?
Dy1 N2 C16 C17 -155.4(4) . . . . ?
Dy1 N2 C16 C15 25.3(7) . . . . ?
Dy1 N2 C18 C19 -13.6(6) . . . . ?
Dy1 N3 C19 C18 -56.4(5) . . . . ?
O1 C25 C24 C23 30.6(9) . . . . ?
N1 C1 C6 C5 -178.8(5) . . . . ?
N1 C1 C6 C10 3.5(7) . . . . ?
N1 C1 C2 C3 178.4(5) . . . . ?
N1 C1 C2 C7 -3.8(7) . . . . ?
N2 C16 C15 C14 8.6(9) . . . . ?
N2 C18 C19 N3 50.1(6) . . . . ?
C17 C16 C15 C14 -170.8(5) . . . . ?
C16 N2 C18 C19 -176.0(5) . . . . ?
C16 C15 C14 N1 -11.3(9) . . . . ?
C16 C15 C14 C13 169.7(6) . . . . ?
C14 N1 C1 C6 -88.8(6) . . . . ?
C14 N1 C1 C2 93.0(6) . . . . ?
C18 N2 C16 C17 6.2(7) . . . . ?
C18 N2 C16 C15 -173.1(5) . . . . ?
C21 N3 C19 C18 -178.9(5) . . . . ?
C20 N3 C19 C18 61.5(6) . . . . ?
C1 N1 C14 C15 170.8(5) . . . . ?
C1 N1 C14 C13 -10.3(7) . . . . ?
C1 C6 C5 C4 1.7(8) . . . . ?
C1 C6 C10 C12 103.9(6) . . . . ?
C1 C6 C10 C11 -131.9(5) . . . . ?
C1 C2 C7 C8 119.9(6) . . . . ?
C1 C2 C7 C9 -116.9(6) . . . . ?
C6 C1 C2 C3 0.2(7) . . . . ?
C6 C1 C2 C7 178.0(5) . . . . ?
C6 C5 C4 C3 -2.3(8) . . . . ?
C5 C6 C10 C12 -73.8(7) . . . . ?
C5 C6 C10 C11 50.5(7) . . . . ?
C5 C4 C3 C2 2.0(8) . . . . ?
C4 C3 C2 C1 -0.9(8) . . . . ?
C4 C3 C2 C7 -178.8(5) . . . . ?
C3 C2 C7 C8 -62.3(7) . . . . ?
C3 C2 C7 C9 60.9(7) . . . . ?
C2 C1 C6 C5 -0.6(7) . . . . ?
C2 C1 C6 C10 -178.2(5) . . . . ?
C10 C6 C5 C4 179.4(5) . . . . ?
C25 O1 C22 C23 -2.1(9) . . . . ?
C25 C24 C23 C22 -32.7(11) . . . . ?
C24 C23 C22 O1 22.2(11) . . . . ?
C22 O1 C25 C24 -17.7(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_x3
_database_code_depnum_ccdc_archive 'CCDC 2524956'
loop_
_audit_author_name
_audit_author_address
'Chen Wang'
;Wuhan University of Technology
China
;
_audit_update_record             
;
2026-01-22 deposited with the CCDC.	2026-04-20 downloaded from the CCDC.
;
_audit_creation_date             2025-02-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C37 H53 Dy N3 P Se Si'
_chemical_formula_sum            'C37 H53 Dy N3 P Se Si'
_chemical_formula_weight         840.34
_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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   12.6239(2)
_cell_length_b                   11.4942(2)
_cell_length_c                   31.4518(5)
_cell_angle_alpha                90
_cell_angle_beta                 94.681(2)
_cell_angle_gamma                90
_cell_volume                     4548.48(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    51658
_cell_measurement_temperature    293.00
_cell_measurement_theta_max      29.0450
_cell_measurement_theta_min      2.4030
_shelx_estimated_absorpt_T_max   0.768
_shelx_estimated_absorpt_T_min   0.751
_exptl_absorpt_coefficient_mu    2.528
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.62034
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.227
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1700
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0383
_diffrn_reflns_av_unetI/netI     0.0261
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.941
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            126995
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.941
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.869
_diffrn_reflns_theta_min         2.400
_diffrn_ambient_temperature      293.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.941
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -97.00  20.00   0.50    2.03    --   -9.50 -57.00  90.00  234
  2  ω    -35.00   3.00   0.50    2.03    --   -9.50  37.00-180.00   76
  3  ω    -66.00  10.00   0.50    2.03    --   -9.50 -57.00 -30.00  152
  4  ω     29.00  65.00   0.50    2.03    --   -9.50  37.00-180.00   72
  5  ω    -64.00  52.00   0.50    2.03    --    9.60 -82.00 -60.00  232
  6  ω    -79.00  52.00   0.50    2.03    --    9.60 -82.00  60.00  262
  7  ω    -33.00  94.00   0.50    2.03    --    9.60  82.00 -90.00  254
  8  ω    -72.00 -46.00   0.50    2.03    --    9.60 -82.00 -30.00   52
  9  ω    -72.00  52.00   0.50    2.03    --    9.60 -82.00-150.00  248
 10  ω    -21.00  52.00   0.50    2.03    --    9.60 -82.00 -30.00  146
 11  ω    -80.00  52.00   0.50    2.03    --    9.60 -81.00  99.05  264
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10048
_reflns_number_total             12331
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.976
_refine_diff_density_min         -0.930
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     419
_refine_ls_number_reflns         12331
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0496
_refine_ls_R_factor_gt           0.0364
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0211P)²+4.5544P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0650
_refine_ls_wR_factor_ref         0.0677
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Sof(C25A)=Sof(H25D)=Sof(H25E)=Sof(H25F)=1-FVAR(1)
 Sof(C25)=Sof(H25A)=Sof(H25B)=Sof(H25C)=FVAR(1)
3.a Ternary CH refined with riding coordinates:
 C15(H15), C12(H12)
3.b Secondary CH2 refined with riding coordinates:
 C19(H19A,H19B), C18(H18A,H18B)
3.c Aromatic/amide H refined with riding coordinates:
 C10(H10), C8(H8), C31(H31), C9(H9), C3(H3), C30(H30), C27(H27), C28(H28),
 C33(H33), C29(H29), C37(H37), C35(H35), C36(H36), C34(H34)
3.d Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C16(H16A,H16B,H16C), C1(H1A,H1B,H1C), C20(H20A,H20B,
 H20C), C5(H5A,H5B,H5C), C23(H23A,H23B,H23C), C17(H17A,H17B,H17C), C24(H24A,
 H24B,H24C), C14(H14A,H14B,H14C), C13(H13A,H13B,H13C), C25(H25A,H25B,H25C),
 C25A(H25D,H25E,H25F)
;
_atom_sites_solution_hydrogens   geom
_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 0.26411(2) 0.83005(2) 0.36408(2) 0.03899(4) Uani 1 1 d . . . . .
Se1 Se 0.31817(2) 0.73693(3) 0.28628(2) 0.06048(9) Uani 1 1 d . . . . .
P1 P 0.46405(5) 0.73451(6) 0.33112(2) 0.04060(15) Uani 1 1 d . . . . .
Si1 Si 0.51681(7) 0.80478(9) 0.42881(3) 0.0594(2) Uani 1 1 d . . . . .
N1 N 0.14339(17) 0.72959(18) 0.40205(7) 0.0405(5) Uani 1 1 d . . . . .
N2 N 0.21499(19) 0.97055(19) 0.41460(7) 0.0483(5) Uani 1 1 d . . . . .
N3 N 0.2672(2) 1.0291(2) 0.33169(8) 0.0590(7) Uani 1 1 d . . . . .
C6 C 0.1247(2) 0.6262(2) 0.37699(8) 0.0410(6) Uani 1 1 d . . . . .
C11 C 0.1786(2) 0.5220(2) 0.38800(9) 0.0483(6) Uani 1 1 d . . . . .
C22 C 0.4388(2) 0.7884(2) 0.37829(8) 0.0409(6) Uani 1 1 d . . . . .
C26 C 0.5631(2) 0.8122(3) 0.30192(9) 0.0482(7) Uani 1 1 d . . . . .
C2 C 0.1590(2) 0.9582(2) 0.44842(9) 0.0516(7) Uani 1 1 d . . . . .
C10 C 0.1698(3) 0.4307(3) 0.35888(10) 0.0622(8) Uani 1 1 d . . . . .
H10 H 0.205414 0.361502 0.365614 0.075 Uiso 1 1 calc R U . . .
C8 C 0.0554(3) 0.5398(3) 0.31081(10) 0.0612(8) Uani 1 1 d . . . . .
H8 H 0.013278 0.544418 0.285185 0.073 Uiso 1 1 calc R U . . .
C7 C 0.0608(2) 0.6353(3) 0.33815(9) 0.0497(7) Uani 1 1 d . . . . .
C31 C 0.5936(3) 0.7725(3) 0.26310(10) 0.0646(8) Uani 1 1 d . . . . .
H31 H 0.565526 0.703426 0.251677 0.077 Uiso 1 1 calc R U . . .
C21 C 0.3335(3) 1.0454(3) 0.29523(12) 0.0766(11) Uani 1 1 d . . . . .
H21A H 0.404030 1.016917 0.302852 0.115 Uiso 1 1 calc R U . . .
H21B H 0.336692 1.126621 0.288342 0.115 Uiso 1 1 calc R U . . .
H21C H 0.302751 1.003196 0.270937 0.115 Uiso 1 1 calc R U . . .
C9 C 0.1103(3) 0.4396(3) 0.32058(11) 0.0659(9) Uani 1 1 d . . . . .
H9 H 0.107339 0.377910 0.301391 0.079 Uiso 1 1 calc R U . . .
C32 C 0.5128(3) 0.5842(3) 0.32953(10) 0.0589(8) Uani 1 1 d . . . . .
C3 C 0.1052(3) 0.8569(3) 0.45842(9) 0.0554(7) Uani 1 1 d . . . . .
H3 H 0.073467 0.859336 0.484079 0.066 Uiso 1 1 calc R U . . .
C30 C 0.6656(3) 0.8354(4) 0.24121(12) 0.0804(11) Uani 1 1 d . . . . .
H30 H 0.686178 0.807741 0.215343 0.096 Uiso 1 1 calc R U . . .
C27 C 0.6054(2) 0.9151(3) 0.31799(10) 0.0587(8) Uani 1 1 d . . . . .
H27 H 0.585900 0.942973 0.343998 0.070 Uiso 1 1 calc R U . . .
C19 C 0.3169(3) 1.0934(3) 0.36877(12) 0.0722(10) Uani 1 1 d . . . . .
H19A H 0.326429 1.173945 0.360708 0.087 Uiso 1 1 calc R U . . .
H19B H 0.386692 1.060835 0.376577 0.087 Uiso 1 1 calc R U . . .
C4 C 0.0917(2) 0.7530(2) 0.43592(9) 0.0489(6) Uani 1 1 d . . . . .
C15 C 0.2425(3) 0.5052(3) 0.43053(9) 0.0602(8) Uani 1 1 d . . . . .
H15 H 0.241426 0.578963 0.446100 0.072 Uiso 1 1 calc R U . . .
C16 C 0.3581(3) 0.4744(4) 0.42581(13) 0.0827(11) Uani 1 1 d . . . . .
H16A H 0.395768 0.469357 0.453533 0.124 Uiso 1 1 calc R U . . .
H16B H 0.389848 0.533545 0.409424 0.124 Uiso 1 1 calc R U . . .
H16C H 0.361775 0.400918 0.411506 0.124 Uiso 1 1 calc R U . . .
C1 C 0.1472(3) 1.0604(3) 0.47836(12) 0.0789(11) Uani 1 1 d . . . . .
H1A H 0.216260 1.090515 0.487561 0.118 Uiso 1 1 calc R U . . .
H1B H 0.112345 1.034981 0.502718 0.118 Uiso 1 1 calc R U . . .
H1C H 0.105695 1.120257 0.463691 0.118 Uiso 1 1 calc R U . . .
C20 C 0.1589(3) 1.0703(3) 0.31863(13) 0.0809(11) Uani 1 1 d . . . . .
H20A H 0.131049 1.028051 0.293863 0.121 Uiso 1 1 calc R U . . .
H20B H 0.160953 1.151807 0.312041 0.121 Uiso 1 1 calc R U . . .
H20C H 0.114142 1.057992 0.341464 0.121 Uiso 1 1 calc R U . . .
C12 C -0.0043(3) 0.7435(3) 0.32699(11) 0.0675(9) Uani 1 1 d . . . . .
H12 H 0.025355 0.807174 0.344931 0.081 Uiso 1 1 calc R U . . .
C18 C 0.2526(3) 1.0893(3) 0.40680(12) 0.0695(9) Uani 1 1 d . . . . .
H18A H 0.295686 1.116480 0.431773 0.083 Uiso 1 1 calc R U . . .
H18B H 0.191990 1.140885 0.402124 0.083 Uiso 1 1 calc R U . . .
C28 C 0.6768(3) 0.9776(3) 0.29566(13) 0.0761(10) Uani 1 1 d . . . . .
H28 H 0.704705 1.047152 0.306749 0.091 Uiso 1 1 calc R U . . .
C33 C 0.6192(3) 0.5620(4) 0.33986(11) 0.0814(11) Uani 1 1 d . . . . .
H33 H 0.666400 0.623360 0.345231 0.098 Uiso 1 1 calc R U . . .
C29 C 0.7062(3) 0.9376(4) 0.25750(13) 0.0831(12) Uani 1 1 d . . . . .
H29 H 0.753979 0.979866 0.242611 0.100 Uiso 1 1 calc R U . . .
C5 C 0.0114(3) 0.6680(3) 0.45142(12) 0.0762(11) Uani 1 1 d . . . . .
H5A H 0.036226 0.639749 0.479179 0.114 Uiso 1 1 calc R U . . .
H5B H 0.002747 0.603870 0.431897 0.114 Uiso 1 1 calc R U . . .
H5C H -0.055572 0.706666 0.452982 0.114 Uiso 1 1 calc R U . . .
C37 C 0.4436(4) 0.4922(3) 0.32107(14) 0.0946(14) Uani 1 1 d . . . . .
H37 H 0.371962 0.505780 0.313371 0.114 Uiso 1 1 calc R U . . .
C23 C 0.5538(4) 0.9610(4) 0.44073(14) 0.1065(16) Uani 1 1 d . . . . .
H23A H 0.596797 0.989791 0.419220 0.160 Uiso 1 1 calc R U . . .
H23B H 0.593082 0.965667 0.468134 0.160 Uiso 1 1 calc R U . . .
H23C H 0.490426 1.007057 0.440914 0.160 Uiso 1 1 calc R U . . .
C17 C 0.1906(4) 0.4120(3) 0.45743(12) 0.0911(13) Uani 1 1 d . . . . .
H17A H 0.198029 0.336942 0.444632 0.137 Uiso 1 1 calc R U . . .
H17B H 0.116552 0.429553 0.458594 0.137 Uiso 1 1 calc R U . . .
H17C H 0.224978 0.411601 0.485811 0.137 Uiso 1 1 calc R U . . .
C35 C 0.5876(9) 0.3583(6) 0.3347(2) 0.173(5) Uani 1 1 d . . . . .
H35 H 0.612534 0.282236 0.336608 0.208 Uiso 1 1 calc R U . . .
C36 C 0.4827(7) 0.3788(4) 0.3242(2) 0.152(3) Uani 1 1 d . . . . .
H36 H 0.436408 0.316426 0.319166 0.182 Uiso 1 1 calc R U . . .
C24 C 0.4349(5) 0.7666(5) 0.47420(12) 0.1176(19) Uani 1 1 d . . . . .
H24A H 0.369671 0.809900 0.471518 0.176 Uiso 1 1 calc R U . . .
H24B H 0.473893 0.785704 0.500777 0.176 Uiso 1 1 calc R U . . .
H24C H 0.419434 0.684864 0.473465 0.176 Uiso 1 1 calc R U . . .
C14 C -0.1196(3) 0.7249(5) 0.33736(18) 0.126(2) Uani 1 1 d . . . . .
H14A H -0.158558 0.796127 0.332706 0.188 Uiso 1 1 calc R U . . .
H14B H -0.120824 0.701871 0.366653 0.188 Uiso 1 1 calc R U . . .
H14C H -0.151521 0.665220 0.319234 0.188 Uiso 1 1 calc R U . . .
C13 C -0.0026(3) 0.7808(4) 0.28078(15) 0.1025(15) Uani 1 1 d . . . . .
H13A H -0.039195 0.724050 0.262637 0.154 Uiso 1 1 calc R U . . .
H13B H 0.069647 0.787238 0.273642 0.154 Uiso 1 1 calc R U . . .
H13C H -0.037275 0.854834 0.276820 0.154 Uiso 1 1 calc R U . . .
C34 C 0.6559(6) 0.4479(6) 0.34226(16) 0.129(2) Uani 1 1 d . . . . .
H34 H 0.727758 0.433180 0.349098 0.155 Uiso 1 1 calc R U . . .
C25 C 0.624(7) 0.684(9) 0.4407(15) 0.16(2) Uani 0.38(9) 1 d . . P A 1
H25A H 0.591012 0.609282 0.438784 0.244 Uiso 0.38(9) 1 calc R U P A 1
H25B H 0.657879 0.695337 0.468900 0.244 Uiso 0.38(9) 1 calc R U P A 1
H25C H 0.676490 0.689569 0.420270 0.244 Uiso 0.38(9) 1 calc R U P A 1
C25A C 0.650(2) 0.739(3) 0.4318(10) 0.118(8) Uani 0.62(9) 1 d . . P A 2
H25D H 0.644249 0.656799 0.426503 0.177 Uiso 0.62(9) 1 calc R U P A 2
H25E H 0.685409 0.751700 0.459638 0.177 Uiso 0.62(9) 1 calc R U P A 2
H25F H 0.691271 0.773853 0.410704 0.177 Uiso 0.62(9) 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 Se1 2.8058(3) . ?
Dy1 N1 2.319(2) . ?
Dy1 N2 2.383(2) . ?
Dy1 N3 2.506(2) . ?
Dy1 C22 2.266(3) . ?
Se1 P1 2.2265(7) . ?
P1 C22 1.662(3) . ?
P1 C26 1.842(3) . ?
P1 C32 1.836(3) . ?
Si1 C22 1.809(3) . ?
Si1 C23 1.885(4) . ?
Si1 C24 1.881(4) . ?
Si1 C25 1.95(4) . ?
Si1 C25A 1.84(3) . ?
N1 C6 1.435(3) . ?
N1 C4 1.322(3) . ?
N2 C2 1.332(3) . ?
N2 C18 1.472(4) . ?
N3 C21 1.486(4) . ?
N3 C19 1.477(4) . ?
N3 C20 1.474(4) . ?
C6 C11 1.408(4) . ?
C6 C7 1.412(4) . ?
C11 C10 1.391(4) . ?
C11 C15 1.517(4) . ?
C26 C31 1.386(4) . ?
C26 C27 1.377(4) . ?
C2 C3 1.396(4) . ?
C2 C1 1.521(4) . ?
C10 H10 0.9300 . ?
C10 C9 1.370(5) . ?
C8 H8 0.9300 . ?
C8 C7 1.392(4) . ?
C8 C9 1.367(5) . ?
C7 C12 1.516(4) . ?
C31 H31 0.9300 . ?
C31 C30 1.387(5) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C9 H9 0.9300 . ?
C32 C33 1.380(5) . ?
C32 C37 1.384(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.393(4) . ?
C30 H30 0.9300 . ?
C30 C29 1.365(6) . ?
C27 H27 0.9300 . ?
C27 C28 1.387(4) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 C18 1.500(5) . ?
C4 C5 1.516(4) . ?
C15 H15 0.9800 . ?
C15 C16 1.521(5) . ?
C15 C17 1.544(5) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C12 H12 0.9800 . ?
C12 C14 1.532(5) . ?
C12 C13 1.517(5) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C28 H28 0.9300 . ?
C28 C29 1.365(6) . ?
C33 H33 0.9300 . ?
C33 C34 1.391(6) . ?
C29 H29 0.9300 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C37 H37 0.9300 . ?
C37 C36 1.395(7) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C35 H35 0.9300 . ?
C35 C36 1.359(12) . ?
C35 C34 1.352(11) . ?
C36 H36 0.9300 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C34 H34 0.9300 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C25A H25D 0.9600 . ?
C25A H25E 0.9600 . ?
C25A H25F 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Dy1 Se1 118.42(5) . . ?
N1 Dy1 N2 77.08(7) . . ?
N1 Dy1 N3 134.16(8) . . ?
N2 Dy1 Se1 159.26(5) . . ?
N2 Dy1 N3 70.49(8) . . ?
N3 Dy1 Se1 88.89(6) . . ?
C22 Dy1 Se1 77.83(6) . . ?
C22 Dy1 N1 117.60(8) . . ?
C22 Dy1 N2 108.29(9) . . ?
C22 Dy1 N3 103.05(9) . . ?
P1 Se1 Dy1 72.530(18) . . ?
C22 P1 Se1 110.61(9) . . ?
C22 P1 C26 116.86(14) . . ?
C22 P1 C32 117.64(13) . . ?
C26 P1 Se1 103.79(9) . . ?
C32 P1 Se1 104.84(12) . . ?
C32 P1 C26 101.53(13) . . ?
C22 Si1 C23 112.46(17) . . ?
C22 Si1 C24 110.42(18) . . ?
C22 Si1 C25 114.5(15) . . ?
C22 Si1 C25A 115.6(7) . . ?
C23 Si1 C25 119(3) . . ?
C24 Si1 C23 102.3(2) . . ?
C24 Si1 C25 96(3) . . ?
C25A Si1 C23 99.8(10) . . ?
C25A Si1 C24 115.0(14) . . ?
C6 N1 Dy1 102.42(14) . . ?
C4 N1 Dy1 134.62(18) . . ?
C4 N1 C6 122.8(2) . . ?
C2 N2 Dy1 130.10(18) . . ?
C2 N2 C18 115.6(2) . . ?
C18 N2 Dy1 114.33(18) . . ?
C21 N3 Dy1 117.24(19) . . ?
C19 N3 Dy1 98.96(18) . . ?
C19 N3 C21 108.4(3) . . ?
C20 N3 Dy1 111.2(2) . . ?
C20 N3 C21 108.2(3) . . ?
C20 N3 C19 112.6(3) . . ?
C11 C6 N1 121.0(2) . . ?
C11 C6 C7 120.4(2) . . ?
C7 C6 N1 118.1(2) . . ?
C6 C11 C15 122.5(2) . . ?
C10 C11 C6 117.9(3) . . ?
C10 C11 C15 119.5(3) . . ?
P1 C22 Dy1 99.03(12) . . ?
P1 C22 Si1 133.82(16) . . ?
Si1 C22 Dy1 127.04(13) . . ?
C31 C26 P1 121.9(2) . . ?
C27 C26 P1 119.5(2) . . ?
C27 C26 C31 118.6(3) . . ?
N2 C2 C3 124.7(3) . . ?
N2 C2 C1 119.8(3) . . ?
C3 C2 C1 115.5(3) . . ?
C11 C10 H10 118.9 . . ?
C9 C10 C11 122.1(3) . . ?
C9 C10 H10 118.9 . . ?
C7 C8 H8 119.1 . . ?
C9 C8 H8 119.1 . . ?
C9 C8 C7 121.8(3) . . ?
C6 C7 C12 121.4(3) . . ?
C8 C7 C6 118.2(3) . . ?
C8 C7 C12 120.4(3) . . ?
C26 C31 H31 119.8 . . ?
C26 C31 C30 120.4(4) . . ?
C30 C31 H31 119.8 . . ?
N3 C21 H21A 109.5 . . ?
N3 C21 H21B 109.5 . . ?
N3 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C10 C9 H9 120.3 . . ?
C8 C9 C10 119.5(3) . . ?
C8 C9 H9 120.3 . . ?
C33 C32 P1 119.3(3) . . ?
C33 C32 C37 119.4(4) . . ?
C37 C32 P1 121.1(3) . . ?
C2 C3 H3 115.0 . . ?
C4 C3 C2 130.0(3) . . ?
C4 C3 H3 115.0 . . ?
C31 C30 H30 119.9 . . ?
C29 C30 C31 120.2(4) . . ?
C29 C30 H30 119.9 . . ?
C26 C27 H27 119.8 . . ?
C26 C27 C28 120.5(3) . . ?
C28 C27 H27 119.8 . . ?
N3 C19 H19A 109.0 . . ?
N3 C19 H19B 109.0 . . ?
N3 C19 C18 113.0(3) . . ?
H19A C19 H19B 107.8 . . ?
C18 C19 H19A 109.0 . . ?
C18 C19 H19B 109.0 . . ?
N1 C4 C3 122.4(2) . . ?
N1 C4 C5 121.0(3) . . ?
C3 C4 C5 116.5(3) . . ?
C11 C15 H15 107.6 . . ?
C11 C15 C16 112.9(3) . . ?
C11 C15 C17 110.7(3) . . ?
C16 C15 H15 107.6 . . ?
C16 C15 C17 110.2(3) . . ?
C17 C15 H15 107.6 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N3 C20 H20A 109.5 . . ?
N3 C20 H20B 109.5 . . ?
N3 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C7 C12 H12 107.8 . . ?
C7 C12 C14 110.0(3) . . ?
C7 C12 C13 113.9(3) . . ?
C14 C12 H12 107.8 . . ?
C13 C12 H12 107.8 . . ?
C13 C12 C14 109.3(3) . . ?
N2 C18 C19 111.4(3) . . ?
N2 C18 H18A 109.3 . . ?
N2 C18 H18B 109.3 . . ?
C19 C18 H18A 109.3 . . ?
C19 C18 H18B 109.3 . . ?
H18A C18 H18B 108.0 . . ?
C27 C28 H28 119.8 . . ?
C29 C28 C27 120.4(4) . . ?
C29 C28 H28 119.8 . . ?
C32 C33 H33 120.0 . . ?
C32 C33 C34 120.1(5) . . ?
C34 C33 H33 120.0 . . ?
C30 C29 C28 119.9(3) . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C32 C37 H37 120.4 . . ?
C32 C37 C36 119.1(6) . . ?
C36 C37 H37 120.4 . . ?
Si1 C23 H23A 109.5 . . ?
Si1 C23 H23B 109.5 . . ?
Si1 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C36 C35 H35 119.8 . . ?
C34 C35 H35 119.8 . . ?
C34 C35 C36 120.4(6) . . ?
C37 C36 H36 119.6 . . ?
C35 C36 C37 120.7(7) . . ?
C35 C36 H36 119.6 . . ?
Si1 C24 H24A 109.5 . . ?
Si1 C24 H24B 109.5 . . ?
Si1 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C33 C34 H34 119.9 . . ?
C35 C34 C33 120.2(6) . . ?
C35 C34 H34 119.9 . . ?
Si1 C25 H25A 109.5 . . ?
Si1 C25 H25B 109.5 . . ?
Si1 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si1 C25A H25D 109.5 . . ?
Si1 C25A H25E 109.5 . . ?
Si1 C25A H25F 109.5 . . ?
H25D C25A H25E 109.5 . . ?
H25D C25A H25F 109.5 . . ?
H25E C25A H25F 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 N1 C6 C11 97.9(2) . . . . ?
Dy1 N1 C6 C7 -74.5(2) . . . . ?
Dy1 N1 C4 C3 -1.7(5) . . . . ?
Dy1 N1 C4 C5 176.4(2) . . . . ?
Dy1 N2 C2 C3 -8.1(5) . . . . ?
Dy1 N2 C2 C1 174.2(2) . . . . ?
Dy1 N2 C18 C19 -1.6(4) . . . . ?
Dy1 N3 C19 C18 -60.9(3) . . . . ?
Se1 P1 C22 Dy1 -0.09(12) . . . . ?
Se1 P1 C22 Si1 176.23(18) . . . . ?
Se1 P1 C26 C31 -60.6(3) . . . . ?
Se1 P1 C26 C27 116.7(2) . . . . ?
Se1 P1 C32 C33 155.2(2) . . . . ?
Se1 P1 C32 C37 -29.4(3) . . . . ?
P1 C26 C31 C30 177.7(3) . . . . ?
P1 C26 C27 C28 -177.3(3) . . . . ?
P1 C32 C33 C34 174.7(3) . . . . ?
P1 C32 C37 C36 -173.8(3) . . . . ?
N1 C6 C11 C10 -169.9(2) . . . . ?
N1 C6 C11 C15 11.8(4) . . . . ?
N1 C6 C7 C8 170.6(2) . . . . ?
N1 C6 C7 C12 -12.0(4) . . . . ?
N2 C2 C3 C4 -4.2(6) . . . . ?
N3 C19 C18 N2 45.8(4) . . . . ?
C6 N1 C4 C3 -175.6(3) . . . . ?
C6 N1 C4 C5 2.4(4) . . . . ?
C6 C11 C10 C9 -0.5(5) . . . . ?
C6 C11 C15 C16 -122.2(3) . . . . ?
C6 C11 C15 C17 113.7(3) . . . . ?
C6 C7 C12 C14 -98.1(4) . . . . ?
C6 C7 C12 C13 138.8(3) . . . . ?
C11 C6 C7 C8 -1.8(4) . . . . ?
C11 C6 C7 C12 175.6(3) . . . . ?
C11 C10 C9 C8 -1.7(5) . . . . ?
C22 P1 C26 C31 177.4(2) . . . . ?
C22 P1 C26 C27 -5.3(3) . . . . ?
C22 P1 C32 C33 -81.5(3) . . . . ?
C22 P1 C32 C37 94.0(3) . . . . ?
C26 P1 C22 Dy1 118.34(12) . . . . ?
C26 P1 C22 Si1 -65.3(3) . . . . ?
C26 P1 C32 C33 47.4(3) . . . . ?
C26 P1 C32 C37 -137.2(3) . . . . ?
C26 C31 C30 C29 -0.7(6) . . . . ?
C26 C27 C28 C29 -0.2(5) . . . . ?
C2 N2 C18 C19 178.6(3) . . . . ?
C2 C3 C4 N1 9.4(5) . . . . ?
C2 C3 C4 C5 -168.8(3) . . . . ?
C10 C11 C15 C16 59.6(4) . . . . ?
C10 C11 C15 C17 -64.5(4) . . . . ?
C8 C7 C12 C14 79.3(4) . . . . ?
C8 C7 C12 C13 -43.8(4) . . . . ?
C7 C6 C11 C10 2.2(4) . . . . ?
C7 C6 C11 C15 -176.0(3) . . . . ?
C7 C8 C9 C10 2.1(5) . . . . ?
C31 C26 C27 C28 0.1(5) . . . . ?
C31 C30 C29 C28 0.6(6) . . . . ?
C21 N3 C19 C18 176.3(3) . . . . ?
C9 C8 C7 C6 -0.4(4) . . . . ?
C9 C8 C7 C12 -177.8(3) . . . . ?
C32 P1 C22 Dy1 -120.46(15) . . . . ?
C32 P1 C22 Si1 55.9(3) . . . . ?
C32 P1 C26 C31 48.1(3) . . . . ?
C32 P1 C26 C27 -134.7(2) . . . . ?
C32 C33 C34 C35 -0.3(7) . . . . ?
C32 C37 C36 C35 -1.3(8) . . . . ?
C27 C26 C31 C30 0.4(5) . . . . ?
C27 C28 C29 C30 -0.2(6) . . . . ?
C4 N1 C6 C11 -86.6(3) . . . . ?
C4 N1 C6 C7 101.1(3) . . . . ?
C15 C11 C10 C9 177.8(3) . . . . ?
C1 C2 C3 C4 173.6(3) . . . . ?
C20 N3 C19 C18 56.6(4) . . . . ?
C18 N2 C2 C3 171.7(3) . . . . ?
C18 N2 C2 C1 -6.0(4) . . . . ?
C33 C32 C37 C36 1.6(6) . . . . ?
C37 C32 C33 C34 -0.8(5) . . . . ?
C23 Si1 C22 Dy1 -76.6(2) . . . . ?
C23 Si1 C22 P1 107.9(3) . . . . ?
C36 C35 C34 C33 0.6(9) . . . . ?
C24 Si1 C22 Dy1 37.0(3) . . . . ?
C24 Si1 C22 P1 -138.5(3) . . . . ?
C34 C35 C36 C37 0.1(10) . . . . ?
C25 Si1 C22 Dy1 144(4) . . . . ?
C25 Si1 C22 P1 -31(4) . . . . ?
C25A Si1 C22 Dy1 169.7(15) . . . . ?
C25A Si1 C22 P1 -5.8(15) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.312 -0.275 0.092 260.2 58.1 ?
2 -0.188 0.225 0.408 260.2 61.8 ?
3 0.188 -0.225 0.592 260.2 58.1 ?
4 0.312 0.275 0.908 260.2 61.8 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_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_230907c_0m
_database_code_depnum_ccdc_archive 'CCDC 2524954'
loop_
_audit_author_name
_audit_author_address
'Chen Wang'
;Wuhan University of Technology
China
;
_audit_update_record             
;
2026-01-22 deposited with the CCDC.	2026-04-20 downloaded from the CCDC.
;
_audit_creation_date             2025-10-25
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C37 H54 Cl Dy N3 P Se Si, [+ solvents]'
_chemical_formula_sum            'C37 H54 Cl Dy N3 P Se Si'
_chemical_formula_weight         876.80
_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 0.0137 0.0067 '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'
Cl Cl 0.3281 0.5435 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -5.9987 12.4498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2543 0.3332 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -1.0833 0.8881 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2153 0.2529 '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                   12.0201(3)
_cell_length_b                   12.9019(4)
_cell_length_c                   16.9940(5)
_cell_angle_alpha                108.3600(10)
_cell_angle_beta                 95.0090(10)
_cell_angle_gamma                110.0140(10)
_cell_volume                     2293.31(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9153
_cell_measurement_temperature    200.00
_cell_measurement_theta_max      72.385
_cell_measurement_theta_min      3.412
_shelx_estimated_absorpt_T_max   0.438
_shelx_estimated_absorpt_T_min   0.383
_exptl_absorpt_coefficient_mu    9.886
_exptl_absorpt_correction_T_max  0.7536
_exptl_absorpt_correction_T_min  0.3920
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.270
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             886
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0506
_diffrn_reflns_av_unetI/netI     0.0289
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            90474
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         72.399
_diffrn_reflns_theta_min         3.489
_diffrn_ambient_temperature      200.00
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX2 microsource'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34138
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           3.57
_diffrn_source_power             0.24972149999999999
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           69.95
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13433
_reflns_number_total             13717
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.425
_refine_diff_density_min         -1.898
_refine_diff_density_rms         0.104
_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     417
_refine_ls_number_reflns         13717
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0357
_refine_ls_R_factor_gt           0.0353
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0659P)²+1.8714P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0986
_refine_ls_wR_factor_ref         0.0990
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C22(H22), C10(H10), C7(H7)
2.b Secondary CH2 refined with riding coordinates:
 C19(H19A,H19B), C18(H18A,H18B)
2.c Aromatic/amide H refined with riding coordinates:
 C15(H15), C37(H37), C35(H35), C33(H33), C34(H34), C36(H36), C27(H27), C5(H5),
 C31(H31), C30(H30), C3(H3), C29(H29), C4(H4), C28(H28)
2.d Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C17(H17A,H17B,H17C), C21(H21A,H21B,H21C), C13(H13A,H13B,
 H13C), C24(H24A,H24B,H24C), C9(H9A,H9B,H9C), C20(H20A,H20B,H20C), C8(H8A,H8B,
 H8C), C11(H11A,H11B,H11C), C25(H25A,H25B,H25C), C12(H12A,H12B,H12C)
;
_atom_sites_solution_hydrogens   geom
_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 0.33577(2) 0.75891(2) 0.75270(2) 0.02147(4) Uani 1 1 d . . . . .
Se1 Se 0.25213(3) 0.53659(2) 0.60432(2) 0.02919(6) Uani 1 1 d . . . . .
P1 P 0.17799(6) 0.47443(5) 0.69989(4) 0.02410(11) Uani 1 1 d . . . . .
Cl1 Cl 0.55342(6) 0.87905(7) 0.84158(5) 0.04332(16) Uani 1 1 d . . . . .
Si1 Si 0.40254(8) 0.54508(8) 0.84250(5) 0.03650(16) Uani 1 1 d . . . . .
N2 N 0.16310(19) 0.7903(2) 0.71656(15) 0.0287(4) Uani 1 1 d . . . . .
N1 N 0.39579(18) 0.85186(18) 0.65328(14) 0.0245(4) Uani 1 1 d . . . . .
C22 C 0.2705(2) 0.5715(2) 0.79926(16) 0.0261(4) Uani 1 1 d . . . . .
H22 H 0.219469 0.581219 0.842288 0.031 Uiso 1 1 calc R U . . .
C1 C 0.5215(2) 0.9238(2) 0.65965(17) 0.0269(4) Uani 1 1 d . . . . .
N3 N 0.2737(2) 0.8610(2) 0.88336(16) 0.0355(5) Uani 1 1 d . . . . .
C15 C 0.1890(2) 0.7904(2) 0.57670(18) 0.0299(5) Uani 1 1 d . . . . .
H15 H 0.143394 0.762060 0.520313 0.036 Uiso 1 1 calc R U . . .
C32 C 0.0245(2) 0.4715(2) 0.69790(16) 0.0259(4) Uani 1 1 d . . . . .
C16 C 0.1200(2) 0.7803(2) 0.63845(18) 0.0288(5) Uani 1 1 d . . . . .
C14 C 0.3161(2) 0.8365(2) 0.58615(16) 0.0273(4) Uani 1 1 d . . . . .
C2 C 0.6031(2) 0.8694(3) 0.6366(2) 0.0332(5) Uani 1 1 d . . . . .
C37 C -0.0438(3) 0.4630(3) 0.62378(18) 0.0329(5) Uani 1 1 d . . . . .
H37 H -0.009956 0.460031 0.575025 0.040 Uiso 1 1 calc R U . . .
C26 C 0.1531(3) 0.3169(2) 0.6689(2) 0.0322(5) Uani 1 1 d . . . . .
C6 C 0.5612(3) 1.0476(2) 0.69134(19) 0.0339(5) Uani 1 1 d . . . . .
C10 C 0.4799(3) 1.1113(3) 0.7246(2) 0.0401(6) Uani 1 1 d . . . . .
H10 H 0.397338 1.050003 0.716602 0.048 Uiso 1 1 calc R U . . .
C23 C 0.5071(4) 0.5362(5) 0.7688(3) 0.0559(10) Uani 1 1 d . . . . .
H23A H 0.460332 0.481779 0.711480 0.084 Uiso 1 1 calc R U . . .
H23B H 0.565438 0.506975 0.788070 0.084 Uiso 1 1 calc R U . . .
H23C H 0.550771 0.615221 0.767804 0.084 Uiso 1 1 calc R U . . .
C35 C -0.2114(3) 0.4632(3) 0.6914(2) 0.0423(7) Uani 1 1 d . . . . .
H35 H -0.291623 0.460566 0.689121 0.051 Uiso 1 1 calc R U . . .
C17 C -0.0120(3) 0.7602(3) 0.6120(3) 0.0428(7) Uani 1 1 d . . . . .
H17A H -0.064553 0.686851 0.617508 0.064 Uiso 1 1 calc R U . . .
H17B H -0.029218 0.753614 0.552766 0.064 Uiso 1 1 calc R U . . .
H17C H -0.027491 0.827214 0.648605 0.064 Uiso 1 1 calc R U . . .
C33 C -0.0272(3) 0.4746(3) 0.7687(2) 0.0368(6) Uani 1 1 d . . . . .
H33 H 0.017769 0.478871 0.819265 0.044 Uiso 1 1 calc R U . . .
C7 C 0.5638(3) 0.7356(3) 0.6061(2) 0.0362(6) Uani 1 1 d . . . . .
H7 H 0.497546 0.705839 0.634946 0.043 Uiso 1 1 calc R U . . .
C34 C -0.1445(3) 0.4714(3) 0.7652(2) 0.0424(7) Uani 1 1 d . . . . .
H34 H -0.178853 0.474925 0.813750 0.051 Uiso 1 1 calc R U . . .
C21 C 0.3200(4) 0.8506(4) 0.9627(2) 0.0496(8) Uani 1 1 d . . . . .
H21A H 0.292162 0.766583 0.955276 0.074 Uiso 1 1 calc R U . . .
H21B H 0.289604 0.891947 1.009133 0.074 Uiso 1 1 calc R U . . .
H21C H 0.408884 0.886180 0.976212 0.074 Uiso 1 1 calc R U . . .
C36 C -0.1612(3) 0.4589(3) 0.6210(2) 0.0402(6) Uani 1 1 d . . . . .
H36 H -0.207237 0.453096 0.570239 0.048 Uiso 1 1 calc R U . . .
C19 C 0.1400(3) 0.8009(3) 0.8606(2) 0.0397(6) Uani 1 1 d . . . . .
H19A H 0.106110 0.838993 0.907056 0.048 Uiso 1 1 calc R U . . .
H19B H 0.116648 0.716942 0.854617 0.048 Uiso 1 1 calc R U . . .
C27 C 0.1883(3) 0.2598(3) 0.5982(2) 0.0426(7) Uani 1 1 d . . . . .
H27 H 0.224696 0.301880 0.564092 0.051 Uiso 1 1 calc R U . . .
C18 C 0.0862(3) 0.8057(3) 0.7788(2) 0.0402(6) Uani 1 1 d . . . . .
H18A H 0.003799 0.742370 0.754884 0.048 Uiso 1 1 calc R U . . .
H18B H 0.079002 0.883105 0.790370 0.048 Uiso 1 1 calc R U . . .
C5 C 0.6813(3) 1.1157(3) 0.6953(2) 0.0455(7) Uani 1 1 d . . . . .
H5 H 0.708910 1.199720 0.716510 0.055 Uiso 1 1 calc R U . . .
C13 C 0.3576(3) 0.8724(3) 0.5135(2) 0.0397(6) Uani 1 1 d . . . . .
H13A H 0.353900 0.949269 0.520149 0.059 Uiso 1 1 calc R U . . .
H13B H 0.304561 0.812430 0.459507 0.059 Uiso 1 1 calc R U . . .
H13C H 0.441252 0.878534 0.513942 0.059 Uiso 1 1 calc R U . . .
C31 C 0.1000(4) 0.2544(3) 0.7183(3) 0.0557(10) Uani 1 1 d . . . . .
H31 H 0.074780 0.292802 0.766714 0.067 Uiso 1 1 calc R U . . .
C24 C 0.4887(4) 0.6668(4) 0.9473(2) 0.0572(10) Uani 1 1 d . . . . .
H24A H 0.519932 0.742880 0.939395 0.086 Uiso 1 1 calc R U . . .
H24B H 0.556631 0.651440 0.970049 0.086 Uiso 1 1 calc R U . . .
H24C H 0.434624 0.669886 0.987108 0.086 Uiso 1 1 calc R U . . .
C9 C 0.6645(3) 0.6965(4) 0.6300(3) 0.0518(8) Uani 1 1 d . . . . .
H9A H 0.730665 0.722600 0.601798 0.078 Uiso 1 1 calc R U . . .
H9B H 0.631888 0.609863 0.611718 0.078 Uiso 1 1 calc R U . . .
H9C H 0.695247 0.732103 0.691687 0.078 Uiso 1 1 calc R U . . .
C20 C 0.3130(4) 0.9886(3) 0.8973(3) 0.0517(9) Uani 1 1 d . . . . .
H20A H 0.401540 1.027314 0.915632 0.078 Uiso 1 1 calc R U . . .
H20B H 0.276146 1.025715 0.941269 0.078 Uiso 1 1 calc R U . . .
H20C H 0.287132 0.997286 0.844240 0.078 Uiso 1 1 calc R U . . .
C30 C 0.0834(4) 0.1364(4) 0.6975(4) 0.0691(14) Uani 1 1 d . . . . .
H30 H 0.047740 0.094376 0.731890 0.083 Uiso 1 1 calc R U . . .
C3 C 0.7220(3) 0.9409(3) 0.6410(3) 0.0461(7) Uani 1 1 d . . . . .
H3 H 0.777804 0.905371 0.624337 0.055 Uiso 1 1 calc R U . . .
C8 C 0.5104(4) 0.6757(3) 0.5109(3) 0.0551(9) Uani 1 1 d . . . . .
H8A H 0.435985 0.688076 0.497791 0.083 Uiso 1 1 calc R U . . .
H8B H 0.491480 0.590433 0.493267 0.083 Uiso 1 1 calc R U . . .
H8C H 0.569286 0.709908 0.480354 0.083 Uiso 1 1 calc R U . . .
C11 C 0.4674(5) 1.1909(4) 0.6772(3) 0.0587(10) Uani 1 1 d . . . . .
H11A H 0.547362 1.251792 0.684220 0.088 Uiso 1 1 calc R U . . .
H11B H 0.413310 1.229073 0.700304 0.088 Uiso 1 1 calc R U . . .
H11C H 0.433342 1.142856 0.616709 0.088 Uiso 1 1 calc R U . . .
C29 C 0.1189(4) 0.0799(3) 0.6266(4) 0.0671(13) Uani 1 1 d . . . . .
H29 H 0.107520 -0.000946 0.612381 0.081 Uiso 1 1 calc R U . . .
C4 C 0.7604(3) 1.0634(3) 0.6692(3) 0.0516(9) Uani 1 1 d . . . . .
H4 H 0.841305 1.110966 0.670467 0.062 Uiso 1 1 calc R U . . .
C25 C 0.3589(5) 0.4068(4) 0.8673(3) 0.0652(12) Uani 1 1 d . . . . .
H25A H 0.302034 0.407534 0.905165 0.098 Uiso 1 1 calc R U . . .
H25B H 0.431687 0.403187 0.895143 0.098 Uiso 1 1 calc R U . . .
H25C H 0.320311 0.337286 0.814460 0.098 Uiso 1 1 calc R U . . .
C12 C 0.5277(5) 1.1852(4) 0.8199(3) 0.0617(11) Uani 1 1 d . . . . .
H12A H 0.548821 1.137619 0.848885 0.092 Uiso 1 1 calc R U . . .
H12B H 0.464866 1.209326 0.843287 0.092 Uiso 1 1 calc R U . . .
H12C H 0.599908 1.255944 0.828341 0.092 Uiso 1 1 calc R U . . .
C28 C 0.1708(5) 0.1405(3) 0.5766(3) 0.0638(12) Uani 1 1 d . . . . .
H28 H 0.194640 0.101412 0.527739 0.077 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 Se1 2.9366(3) . ?
Dy1 P1 3.2767(6) . ?
Dy1 Cl1 2.5667(7) . ?
Dy1 N2 2.314(2) . ?
Dy1 N1 2.390(2) . ?
Dy1 C22 2.665(2) . ?
Dy1 N3 2.518(2) . ?
Se1 P1 2.1586(6) . ?
P1 C22 1.744(3) . ?
P1 C32 1.829(3) . ?
P1 C26 1.838(3) . ?
Si1 C22 1.870(3) . ?
Si1 C23 1.856(4) . ?
Si1 C24 1.874(4) . ?
Si1 C25 1.873(4) . ?
N2 C16 1.332(4) . ?
N2 C18 1.475(4) . ?
N1 C1 1.451(3) . ?
N1 C14 1.340(3) . ?
C22 H22 1.0000 . ?
C1 C2 1.405(4) . ?
C1 C6 1.400(4) . ?
N3 C21 1.476(4) . ?
N3 C19 1.478(4) . ?
N3 C20 1.480(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.404(4) . ?
C15 C14 1.411(4) . ?
C32 C37 1.394(4) . ?
C32 C33 1.397(4) . ?
C16 C17 1.519(4) . ?
C14 C13 1.515(4) . ?
C2 C7 1.518(4) . ?
C2 C3 1.391(4) . ?
C37 H37 0.9500 . ?
C37 C36 1.390(4) . ?
C26 C27 1.381(4) . ?
C26 C31 1.390(4) . ?
C6 C10 1.519(4) . ?
C6 C5 1.392(4) . ?
C10 H10 1.0000 . ?
C10 C11 1.527(5) . ?
C10 C12 1.533(5) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C35 H35 0.9500 . ?
C35 C34 1.383(5) . ?
C35 C36 1.380(5) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C33 H33 0.9500 . ?
C33 C34 1.393(4) . ?
C7 H7 1.0000 . ?
C7 C9 1.532(4) . ?
C7 C8 1.522(5) . ?
C34 H34 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C36 H36 0.9500 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C18 1.511(5) . ?
C27 H27 0.9500 . ?
C27 C28 1.400(4) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C5 H5 0.9500 . ?
C5 C4 1.371(6) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C31 H31 0.9500 . ?
C31 C30 1.388(5) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C30 H30 0.9500 . ?
C30 C29 1.383(8) . ?
C3 H3 0.9500 . ?
C3 C4 1.387(5) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C29 H29 0.9500 . ?
C29 C28 1.378(7) . ?
C4 H4 0.9500 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C28 H28 0.9500 . ?

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
Se1 Dy1 P1 40.191(12) . . ?
Cl1 Dy1 Se1 126.46(2) . . ?
Cl1 Dy1 P1 127.11(2) . . ?
Cl1 Dy1 C22 101.27(6) . . ?
N2 Dy1 Se1 91.42(6) . . ?
N2 Dy1 P1 91.52(6) . . ?
N2 Dy1 Cl1 138.81(6) . . ?
N2 Dy1 N1 80.04(8) . . ?
N2 Dy1 C22 108.06(8) . . ?
N2 Dy1 N3 68.98(9) . . ?
N1 Dy1 Se1 84.67(5) . . ?
N1 Dy1 P1 124.25(5) . . ?
N1 Dy1 Cl1 87.36(5) . . ?
N1 Dy1 C22 152.22(7) . . ?
N1 Dy1 N3 121.19(8) . . ?
C22 Dy1 Se1 68.89(5) . . ?
C22 Dy1 P1 32.09(6) . . ?
N3 Dy1 Se1 141.96(6) . . ?
N3 Dy1 P1 105.80(6) . . ?
N3 Dy1 Cl1 85.20(6) . . ?
N3 Dy1 C22 86.08(8) . . ?
P1 Se1 Dy1 78.414(18) . . ?
Se1 P1 Dy1 61.395(15) . . ?
C22 P1 Dy1 54.27(8) . . ?
C22 P1 Se1 108.49(9) . . ?
C22 P1 C32 109.07(12) . . ?
C22 P1 C26 117.53(13) . . ?
C32 P1 Dy1 100.84(8) . . ?
C32 P1 Se1 110.33(8) . . ?
C32 P1 C26 102.95(12) . . ?
C26 P1 Dy1 156.18(9) . . ?
C26 P1 Se1 108.30(10) . . ?
C22 Si1 C24 109.99(16) . . ?
C22 Si1 C25 114.04(18) . . ?
C23 Si1 C22 112.10(15) . . ?
C23 Si1 C24 109.2(2) . . ?
C23 Si1 C25 107.2(2) . . ?
C25 Si1 C24 104.0(2) . . ?
C16 N2 Dy1 123.36(17) . . ?
C16 N2 C18 116.9(2) . . ?
C18 N2 Dy1 119.23(19) . . ?
C1 N1 Dy1 122.06(16) . . ?
C14 N1 Dy1 122.02(16) . . ?
C14 N1 C1 115.9(2) . . ?
Dy1 C22 H22 109.7 . . ?
P1 C22 Dy1 93.63(10) . . ?
P1 C22 Si1 119.66(14) . . ?
P1 C22 H22 109.7 . . ?
Si1 C22 Dy1 113.25(12) . . ?
Si1 C22 H22 109.7 . . ?
C2 C1 N1 120.0(2) . . ?
C6 C1 N1 119.4(2) . . ?
C6 C1 C2 120.5(2) . . ?
C21 N3 Dy1 116.0(2) . . ?
C21 N3 C19 109.2(3) . . ?
C21 N3 C20 108.4(3) . . ?
C19 N3 Dy1 102.94(16) . . ?
C19 N3 C20 111.1(3) . . ?
C20 N3 Dy1 109.2(2) . . ?
C16 C15 H15 115.3 . . ?
C16 C15 C14 129.4(2) . . ?
C14 C15 H15 115.3 . . ?
C37 C32 P1 119.6(2) . . ?
C37 C32 C33 119.0(3) . . ?
C33 C32 P1 121.3(2) . . ?
N2 C16 C15 124.8(2) . . ?
N2 C16 C17 119.8(3) . . ?
C15 C16 C17 115.4(3) . . ?
N1 C14 C15 124.7(2) . . ?
N1 C14 C13 121.5(2) . . ?
C15 C14 C13 113.8(2) . . ?
C1 C2 C7 121.6(2) . . ?
C3 C2 C1 118.4(3) . . ?
C3 C2 C7 120.0(3) . . ?
C32 C37 H37 119.9 . . ?
C36 C37 C32 120.2(3) . . ?
C36 C37 H37 119.9 . . ?
C27 C26 P1 121.3(2) . . ?
C27 C26 C31 119.2(3) . . ?
C31 C26 P1 119.4(3) . . ?
C1 C6 C10 122.7(2) . . ?
C5 C6 C1 118.9(3) . . ?
C5 C6 C10 118.3(3) . . ?
C6 C10 H10 108.0 . . ?
C6 C10 C11 112.5(3) . . ?
C6 C10 C12 110.5(3) . . ?
C11 C10 H10 108.0 . . ?
C11 C10 C12 109.6(3) . . ?
C12 C10 H10 108.0 . . ?
Si1 C23 H23A 109.5 . . ?
Si1 C23 H23B 109.5 . . ?
Si1 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C34 C35 H35 120.1 . . ?
C36 C35 H35 120.1 . . ?
C36 C35 C34 119.8(3) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 C32 120.1(3) . . ?
C34 C33 H33 120.0 . . ?
C2 C7 H7 106.9 . . ?
C2 C7 C9 113.6(3) . . ?
C2 C7 C8 112.2(3) . . ?
C9 C7 H7 106.9 . . ?
C8 C7 H7 106.9 . . ?
C8 C7 C9 110.0(3) . . ?
C35 C34 C33 120.4(3) . . ?
C35 C34 H34 119.8 . . ?
C33 C34 H34 119.8 . . ?
N3 C21 H21A 109.5 . . ?
N3 C21 H21B 109.5 . . ?
N3 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C37 C36 H36 119.8 . . ?
C35 C36 C37 120.5(3) . . ?
C35 C36 H36 119.8 . . ?
N3 C19 H19A 109.2 . . ?
N3 C19 H19B 109.2 . . ?
N3 C19 C18 112.2(3) . . ?
H19A C19 H19B 107.9 . . ?
C18 C19 H19A 109.2 . . ?
C18 C19 H19B 109.2 . . ?
C26 C27 H27 119.8 . . ?
C26 C27 C28 120.5(4) . . ?
C28 C27 H27 119.8 . . ?
N2 C18 C19 110.5(2) . . ?
N2 C18 H18A 109.6 . . ?
N2 C18 H18B 109.6 . . ?
C19 C18 H18A 109.6 . . ?
C19 C18 H18B 109.6 . . ?
H18A C18 H18B 108.1 . . ?
C6 C5 H5 119.5 . . ?
C4 C5 C6 121.1(3) . . ?
C4 C5 H5 119.5 . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
C14 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C26 C31 H31 119.8 . . ?
C30 C31 C26 120.5(4) . . ?
C30 C31 H31 119.8 . . ?
Si1 C24 H24A 109.5 . . ?
Si1 C24 H24B 109.5 . . ?
Si1 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N3 C20 H20A 109.5 . . ?
N3 C20 H20B 109.5 . . ?
N3 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C31 C30 H30 120.1 . . ?
C29 C30 C31 119.9(4) . . ?
C29 C30 H30 120.1 . . ?
C2 C3 H3 119.5 . . ?
C4 C3 C2 121.1(3) . . ?
C4 C3 H3 119.5 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C30 C29 H29 119.9 . . ?
C28 C29 C30 120.3(3) . . ?
C28 C29 H29 119.9 . . ?
C5 C4 C3 119.8(3) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
Si1 C25 H25A 109.5 . . ?
Si1 C25 H25B 109.5 . . ?
Si1 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C27 C28 H28 120.2 . . ?
C29 C28 C27 119.7(4) . . ?
C29 C28 H28 120.2 . . ?

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 P1 C22 Si1 -119.42(18) . . . . ?
Dy1 P1 C32 C37 87.1(2) . . . . ?
Dy1 P1 C32 C33 -94.5(2) . . . . ?
Dy1 P1 C26 C27 -55.6(4) . . . . ?
Dy1 P1 C26 C31 123.1(3) . . . . ?
Dy1 N2 C16 C15 -23.0(3) . . . . ?
Dy1 N2 C16 C17 159.1(2) . . . . ?
Dy1 N2 C18 C19 1.5(3) . . . . ?
Dy1 N1 C1 C2 74.7(3) . . . . ?
Dy1 N1 C1 C6 -103.4(2) . . . . ?
Dy1 N1 C14 C15 15.8(3) . . . . ?
Dy1 N1 C14 C13 -166.2(2) . . . . ?
Dy1 N3 C19 C18 -55.0(3) . . . . ?
Se1 P1 C22 Dy1 30.42(9) . . . . ?
Se1 P1 C22 Si1 -89.01(14) . . . . ?
Se1 P1 C32 C37 23.8(2) . . . . ?
Se1 P1 C32 C33 -157.8(2) . . . . ?
Se1 P1 C26 C27 4.4(3) . . . . ?
Se1 P1 C26 C31 -176.9(3) . . . . ?
P1 C32 C37 C36 179.1(2) . . . . ?
P1 C32 C33 C34 -179.6(3) . . . . ?
P1 C26 C27 C28 178.7(3) . . . . ?
P1 C26 C31 C30 -178.2(4) . . . . ?
N1 C1 C2 C7 -1.0(4) . . . . ?
N1 C1 C2 C3 178.0(3) . . . . ?
N1 C1 C6 C10 3.7(4) . . . . ?
N1 C1 C6 C5 -178.5(3) . . . . ?
C22 P1 C32 C37 142.8(2) . . . . ?
C22 P1 C32 C33 -38.8(3) . . . . ?
C22 P1 C26 C27 -118.9(3) . . . . ?
C22 P1 C26 C31 59.8(3) . . . . ?
C1 N1 C14 C15 -166.9(2) . . . . ?
C1 N1 C14 C13 11.0(3) . . . . ?
C1 C2 C7 C9 -148.1(3) . . . . ?
C1 C2 C7 C8 86.4(4) . . . . ?
C1 C2 C3 C4 1.5(5) . . . . ?
C1 C6 C10 C11 -121.9(3) . . . . ?
C1 C6 C10 C12 115.3(3) . . . . ?
C1 C6 C5 C4 -0.3(5) . . . . ?
N3 C19 C18 N2 38.7(3) . . . . ?
C32 P1 C22 Dy1 -89.80(11) . . . . ?
C32 P1 C22 Si1 150.78(14) . . . . ?
C32 P1 C26 C27 121.3(3) . . . . ?
C32 P1 C26 C31 -60.0(3) . . . . ?
C32 C37 C36 C35 0.0(5) . . . . ?
C32 C33 C34 C35 1.1(5) . . . . ?
C16 N2 C18 C19 173.2(2) . . . . ?
C16 C15 C14 N1 18.4(4) . . . . ?
C16 C15 C14 C13 -159.7(3) . . . . ?
C14 N1 C1 C2 -102.5(3) . . . . ?
C14 N1 C1 C6 79.4(3) . . . . ?
C14 C15 C16 N2 -15.1(4) . . . . ?
C14 C15 C16 C17 163.0(3) . . . . ?
C2 C1 C6 C10 -174.3(3) . . . . ?
C2 C1 C6 C5 3.4(4) . . . . ?
C2 C3 C4 C5 1.6(6) . . . . ?
C37 C32 C33 C34 -1.2(4) . . . . ?
C26 P1 C22 Dy1 153.62(11) . . . . ?
C26 P1 C22 Si1 34.2(2) . . . . ?
C26 P1 C32 C37 -91.6(2) . . . . ?
C26 P1 C32 C33 86.8(3) . . . . ?
C26 C27 C28 C29 -0.5(7) . . . . ?
C26 C31 C30 C29 -0.6(8) . . . . ?
C6 C1 C2 C7 177.0(3) . . . . ?
C6 C1 C2 C3 -4.0(4) . . . . ?
C6 C5 C4 C3 -2.2(6) . . . . ?
C10 C6 C5 C4 177.6(3) . . . . ?
C23 Si1 C22 Dy1 -53.2(2) . . . . ?
C23 Si1 C22 P1 55.7(2) . . . . ?
C33 C32 C37 C36 0.6(4) . . . . ?
C7 C2 C3 C4 -179.6(4) . . . . ?
C34 C35 C36 C37 -0.1(5) . . . . ?
C21 N3 C19 C18 -178.8(3) . . . . ?
C36 C35 C34 C33 -0.4(5) . . . . ?
C27 C26 C31 C30 0.6(6) . . . . ?
C18 N2 C16 C15 165.7(3) . . . . ?
C18 N2 C16 C17 -12.3(4) . . . . ?
C5 C6 C10 C11 60.3(4) . . . . ?
C5 C6 C10 C12 -62.5(4) . . . . ?
C31 C26 C27 C28 0.0(6) . . . . ?
C31 C30 C29 C28 0.1(8) . . . . ?
C24 Si1 C22 Dy1 68.5(2) . . . . ?
C24 Si1 C22 P1 177.4(2) . . . . ?
C20 N3 C19 C18 61.8(3) . . . . ?
C30 C29 C28 C27 0.5(7) . . . . ?
C3 C2 C7 C9 33.0(5) . . . . ?
C3 C2 C7 C8 -92.6(4) . . . . ?
C25 Si1 C22 Dy1 -175.21(19) . . . . ?
C25 Si1 C22 P1 -66.3(2) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 -0.553 0.000 507.5 113.6 '1 ?'
2 -0.090 0.120 0.545 9.7 1.2 ?
3 0.090 0.880 0.455 9.7 0.8 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
