# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_jrt199_230508_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2325964'
loop_
_audit_author_name
_audit_author_address
'Scott Andrew Sulway'
;The University of New South Wales
Australia
;
_audit_update_record             
;
2024-01-17 deposited with the CCDC.	2024-05-15 downloaded from the CCDC.
;
_audit_creation_date             2023-06-21
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H35 B F N9 O2 Y, F6 P, C H1.5, 0.5(N)'
_chemical_formula_sum            'C33 H36.50 B F7 N9.50 O2 P Y'
_chemical_formula_weight         861.90
_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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   31.635(2)
_cell_length_b                   12.2783(7)
_cell_length_c                   22.9447(14)
_cell_angle_alpha                90
_cell_angle_beta                 125.349(2)
_cell_angle_gamma                90
_cell_volume                     7269.1(8)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9797
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      33.154
_cell_measurement_theta_min      2.357
_shelx_estimated_absorpt_T_max   0.625
_shelx_estimated_absorpt_T_min   0.478
_exptl_absorpt_coefficient_mu    1.731
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_correction_T_min  0.6045
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1251 before and 0.0695 after correction.
The Ratio of minimum to maximum transmission is 0.8098.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3512
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0638
_diffrn_reflns_av_unetI/netI     0.0322
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.953
_diffrn_reflns_limit_h_max       45
_diffrn_reflns_limit_h_min       -45
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            113873
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.953
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.508
_diffrn_reflns_theta_min         2.356
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.953
_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           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9038
_reflns_number_total             10604
_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 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.677
_refine_diff_density_min         -0.743
_refine_diff_density_rms         0.085
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     510
_refine_ls_number_reflns         10604
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0464
_refine_ls_R_factor_gt           0.0360
_refine_ls_restrained_S_all      1.113
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0118P)²+28.6205P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0837
_refine_ls_wR_factor_ref         0.0879
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C32-C31 \\sim C32-C31A
 with sigma of 0.02
 C30-C31 \\sim C30-C31A
 with sigma of 0.02
3. Others
 Fixed Sof: H32A(0.85) H32B(0.85) H32C(0.15) H32D(0.15) H30A(0.85) H30B(0.85)
 H30C(0.15) H30D(0.15) C31(0.85) H31A(0.85) H31B(0.85) C31A(0.15) H31C(0.15)
 H31D(0.15) H33A(0.5) H33B(0.5) H33C(0.5) N10(0.5)
4.a Secondary CH2 refined with riding coordinates:
 C29(H29A,H29B), C32(H32A,H32B), C32(H32C,H32D), C28(H28A,H28B), C26(H26A,
 H26B), C25(H25A,H25B), C27(H27A,H27B), C30(H30A,H30B), C30(H30C,H30D),
 C31(H31A,H31B), C31A(H31C,H31D)
4.b Aromatic/amide H refined with riding coordinates:
 C16(H16), C10(H10), C2(H2), C9(H9), C13(H13), C24(H24), C15(H15), C1(H1),
 C17(H17), C14(H14), C8(H8), C18(H18), C21(H21), C23(H23), C22(H22), C6(H6),
 C7(H7), C5(H5)
4.c Idealised Me refined as rotating group:
 C33(H33A,H33B,H33C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y 0.65785(2) 0.50271(2) 0.51299(2) 0.00785(4) Uani 1 1 d . . . . .
P1 P 0.91215(2) 0.51683(5) 0.81307(3) 0.02067(12) Uani 1 1 d . . . . .
F1 F 0.71805(4) 0.40581(9) 0.59480(6) 0.0128(2) Uani 1 1 d . . . . .
F2 F 0.91707(6) 0.38690(12) 0.81065(8) 0.0292(3) Uani 1 1 d . . . . .
F7 F 0.86539(6) 0.49988(12) 0.82101(9) 0.0310(3) Uani 1 1 d . . . . .
F4 F 0.95212(6) 0.51304(13) 0.89870(8) 0.0342(4) Uani 1 1 d . . . . .
O1 O 0.65976(6) 0.39724(12) 0.42229(8) 0.0165(3) Uani 1 1 d . . . . .
O2 O 0.62177(5) 0.48006(12) 0.58423(7) 0.0135(3) Uani 1 1 d . . . . .
F5 F 0.90700(8) 0.64591(13) 0.81649(10) 0.0496(5) Uani 1 1 d . . . . .
N1 N 0.53335(6) 0.55342(13) 0.36068(8) 0.0110(3) Uani 1 1 d . . . . .
F6 F 0.87217(7) 0.52046(15) 0.72846(8) 0.0450(5) Uani 1 1 d . . . . .
N9 N 0.73852(6) 0.55880(13) 0.51527(9) 0.0120(3) Uani 1 1 d . . . . .
N6 N 0.70149(6) 0.63359(13) 0.62445(8) 0.0104(3) Uani 1 1 d . . . . .
F3 F 0.95938(7) 0.53538(18) 0.80757(10) 0.0513(5) Uani 1 1 d . . . . .
N2 N 0.56596(6) 0.48003(13) 0.41176(8) 0.0113(3) Uani 1 1 d . . . . .
N4 N 0.56711(6) 0.71440(13) 0.44295(8) 0.0108(3) Uani 1 1 d . . . . .
N3 N 0.61656(6) 0.30776(13) 0.49470(9) 0.0128(3) Uani 1 1 d . . . . .
N8 N 0.64270(6) 0.62968(13) 0.41826(9) 0.0118(3) Uani 1 1 d . . . . .
N7 N 0.59821(6) 0.68090(13) 0.36663(8) 0.0119(3) Uani 1 1 d . . . . .
N5 N 0.61067(6) 0.67167(13) 0.50194(8) 0.0104(3) Uani 1 1 d . . . . .
C16 C 0.74838(7) 0.61417(16) 0.68520(10) 0.0131(4) Uani 1 1 d . . . . .
H16 H 0.769806 0.560612 0.684623 0.016 Uiso 1 1 calc R U . . .
C10 C 0.58384(8) 0.81312(16) 0.53551(10) 0.0131(3) Uani 1 1 d . . . . .
H10 H 0.581872 0.865564 0.564307 0.016 Uiso 1 1 calc R U . . .
C12 C 0.67107(7) 0.70916(15) 0.62653(10) 0.0099(3) Uani 1 1 d . . . . .
C3 C 0.53962(7) 0.38619(16) 0.39470(10) 0.0127(3) Uani 1 1 d . . . . .
C2 C 0.48957(8) 0.39827(17) 0.33159(11) 0.0167(4) Uani 1 1 d . . . . .
H2 H 0.463103 0.344726 0.307754 0.020 Uiso 1 1 calc R U . . .
C11 C 0.62159(7) 0.73154(15) 0.55766(10) 0.0099(3) Uani 1 1 d . . . . .
C9 C 0.55019(8) 0.79940(16) 0.46208(10) 0.0127(3) Uani 1 1 d . . . . .
H9 H 0.520328 0.842300 0.430519 0.015 Uiso 1 1 calc R U . . .
C13 C 0.68642(8) 0.76521(16) 0.68873(10) 0.0139(4) Uani 1 1 d . . . . .
H13 H 0.663838 0.816282 0.688689 0.017 Uiso 1 1 calc R U . . .
C24 C 0.78591(8) 0.51835(16) 0.56380(11) 0.0149(4) Uani 1 1 d . . . . .
H24 H 0.790997 0.477358 0.602511 0.018 Uiso 1 1 calc R U . . .
C20 C 0.73177(8) 0.61711(15) 0.46005(10) 0.0121(3) Uani 1 1 d . . . . .
C15 C 0.76705(8) 0.66897(17) 0.74903(11) 0.0161(4) Uani 1 1 d . . . . .
H15 H 0.800836 0.654470 0.790480 0.019 Uiso 1 1 calc R U . . .
C1 C 0.48752(7) 0.50569(17) 0.31199(10) 0.0157(4) Uani 1 1 d . . . . .
H1 H 0.458642 0.540124 0.271058 0.019 Uiso 1 1 calc R U . . .
C17 C 0.60671(8) 0.74070(16) 0.32467(10) 0.0143(4) Uani 1 1 d . . . . .
H17 H 0.581632 0.783807 0.285002 0.017 Uiso 1 1 calc R U . . .
C4 C 0.56563(8) 0.29292(16) 0.44261(10) 0.0145(4) Uani 1 1 d . . . . .
C14 C 0.73542(8) 0.74506(17) 0.75095(10) 0.0166(4) Uani 1 1 d . . . . .
H14 H 0.746980 0.782723 0.793927 0.020 Uiso 1 1 calc R U . . .
C8 C 0.64228(8) 0.22466(16) 0.54005(11) 0.0165(4) Uani 1 1 d . . . . .
H8 H 0.678242 0.233346 0.576280 0.020 Uiso 1 1 calc R U . . .
C19 C 0.67904(8) 0.65881(15) 0.40849(10) 0.0125(3) Uani 1 1 d . . . . .
C18 C 0.65796(8) 0.72851(16) 0.34924(10) 0.0151(4) Uani 1 1 d . . . . .
H18 H 0.675067 0.760104 0.330359 0.018 Uiso 1 1 calc R U . . .
C21 C 0.77203(8) 0.63625(17) 0.45314(12) 0.0173(4) Uani 1 1 d . . . . .
H21 H 0.766277 0.677838 0.414245 0.021 Uiso 1 1 calc R U . . .
C29 C 0.62646(9) 0.4021(2) 0.34398(11) 0.0236(5) Uani 1 1 d . . . . .
H29A H 0.622514 0.478316 0.327400 0.028 Uiso 1 1 calc R U . . .
H29B H 0.591691 0.372229 0.325021 0.028 Uiso 1 1 calc R U . . .
C23 C 0.82802(8) 0.53355(18) 0.56019(12) 0.0186(4) Uani 1 1 d . . . . .
H23 H 0.860938 0.503325 0.595511 0.022 Uiso 1 1 calc R U . . .
C22 C 0.82083(8) 0.59360(18) 0.50405(13) 0.0201(4) Uani 1 1 d . . . . .
H22 H 0.848863 0.605528 0.500330 0.024 Uiso 1 1 calc R U . . .
C6 C 0.56644(10) 0.11381(18) 0.48424(13) 0.0273(5) Uani 1 1 d . . . . .
H6 H 0.549269 0.048442 0.481395 0.033 Uiso 1 1 calc R U . . .
C7 C 0.61897(9) 0.12673(17) 0.53667(12) 0.0221(4) Uani 1 1 d . . . . .
H7 H 0.638622 0.069808 0.569607 0.026 Uiso 1 1 calc R U . . .
C32 C 0.69659(9) 0.31178(18) 0.44331(12) 0.0221(4) Uani 1 1 d D . . . .
H32A H 0.682176 0.240991 0.444627 0.026 Uiso 0.85 1 calc R U P A 1
H32B H 0.728779 0.326508 0.491107 0.026 Uiso 0.85 1 calc R U P A 1
H32C H 0.695610 0.260271 0.475711 0.026 Uiso 0.15 1 calc R U P B 2
H32D H 0.732045 0.342019 0.468437 0.026 Uiso 0.15 1 calc R U P B 2
C28 C 0.65108(9) 0.4321(2) 0.65529(12) 0.0249(5) Uani 1 1 d . . . . .
H28A H 0.675931 0.485770 0.691119 0.030 Uiso 1 1 calc R U . . .
H28B H 0.670715 0.367889 0.657074 0.030 Uiso 1 1 calc R U . . .
B1 B 0.54993(8) 0.67426(18) 0.36806(11) 0.0120(4) Uani 1 1 d . . . . .
C5 C 0.53929(9) 0.19769(18) 0.43597(13) 0.0246(5) Uani 1 1 d . . . . .
H5 H 0.503384 0.190277 0.399066 0.030 Uiso 1 1 calc R U . . .
C26 C 0.56151(10) 0.3931(2) 0.59600(13) 0.0275(5) Uani 1 1 d . . . . .
H26A H 0.557726 0.322810 0.572247 0.033 Uiso 1 1 calc R U . . .
H26B H 0.531355 0.404177 0.597949 0.033 Uiso 1 1 calc R U . . .
C25 C 0.56808(8) 0.48650(19) 0.55935(12) 0.0196(4) Uani 1 1 d . . . . .
H25A H 0.544617 0.478493 0.506763 0.023 Uiso 1 1 calc R U . . .
H25B H 0.560831 0.556882 0.572975 0.023 Uiso 1 1 calc R U . . .
C27 C 0.61288(11) 0.3990(3) 0.67069(14) 0.0344(6) Uani 1 1 d . . . . .
H27A H 0.611098 0.453731 0.700874 0.041 Uiso 1 1 calc R U . . .
H27B H 0.622000 0.327328 0.694897 0.041 Uiso 1 1 calc R U . . .
C30 C 0.65332(12) 0.3339(3) 0.31924(14) 0.0416(7) Uani 1 1 d D . . . .
H30A H 0.655986 0.374422 0.284177 0.050 Uiso 0.85 1 calc R U P C 1
H30B H 0.634254 0.265170 0.297079 0.050 Uiso 0.85 1 calc R U P C 1
H30C H 0.627668 0.299896 0.272359 0.050 Uiso 0.15 1 calc R U P D 2
H30D H 0.677339 0.379122 0.315008 0.050 Uiso 0.15 1 calc R U P D 2
C31 C 0.70698(12) 0.3112(3) 0.38731(16) 0.0272(6) Uani 0.85 1 d D . P E 1
H31A H 0.720371 0.239673 0.384948 0.033 Uiso 0.85 1 calc R U P E 1
H31B H 0.731992 0.368791 0.396261 0.033 Uiso 0.85 1 calc R U P E 1
H1A H 0.5176(9) 0.725(2) 0.3253(13) 0.012(6) Uiso 1 1 d . . . . .
C31A C 0.6811(6) 0.2528(11) 0.3733(7) 0.035(4) Uani 0.15 1 d D . P E 2
H31C H 0.712162 0.228574 0.376382 0.042 Uiso 0.15 1 calc R U P E 2
H31D H 0.658830 0.188883 0.363613 0.042 Uiso 0.15 1 calc R U P E 2
C33 C 0.5269(2) 0.1327(5) 0.2792(3) 0.0912(17) Uani 1 1 d . . . . .
H33A H 0.547923 0.118267 0.261248 0.137 Uiso 0.5 1 calc R U P . .
H33B H 0.533352 0.075984 0.313533 0.137 Uiso 0.5 1 calc R U P . .
H33C H 0.536311 0.203897 0.302920 0.137 Uiso 0.5 1 calc R U P . .
N10 N 0.5736(4) 0.1618(8) 0.3283(5) 0.093(3) Uani 0.5 1 d . . P . .


_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
Y1 F1 2.1046(11) . ?
Y1 O1 2.4814(14) . ?
Y1 O2 2.4919(14) . ?
Y1 N9 2.6144(17) . ?
Y1 N6 2.6349(16) . ?
Y1 N2 2.4719(16) . ?
Y1 N3 2.6415(17) . ?
Y1 N8 2.4860(16) . ?
Y1 N5 2.4813(16) . ?
P1 F2 1.6069(16) . ?
P1 F7 1.6051(16) . ?
P1 F4 1.6084(15) . ?
P1 F5 1.5997(18) . ?
P1 F6 1.5903(16) . ?
P1 F3 1.5869(18) . ?
O1 C29 1.467(3) . ?
O1 C32 1.429(3) . ?
O2 C28 1.454(2) . ?
O2 C25 1.447(2) . ?
N1 N2 1.360(2) . ?
N1 C1 1.349(2) . ?
N1 B1 1.550(3) . ?
N9 C24 1.342(3) . ?
N9 C20 1.360(2) . ?
N6 C16 1.344(2) . ?
N6 C12 1.357(2) . ?
N2 C3 1.341(2) . ?
N4 N5 1.359(2) . ?
N4 C9 1.357(2) . ?
N4 B1 1.552(3) . ?
N3 C4 1.353(3) . ?
N3 C8 1.344(3) . ?
N8 N7 1.360(2) . ?
N8 C19 1.341(2) . ?
N7 C17 1.356(2) . ?
N7 B1 1.549(3) . ?
N5 C11 1.335(2) . ?
C16 H16 0.9500 . ?
C16 C15 1.395(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.409(3) . ?
C10 C9 1.387(3) . ?
C12 C11 1.470(3) . ?
C12 C13 1.395(3) . ?
C3 C2 1.404(3) . ?
C3 C4 1.466(3) . ?
C2 H2 0.9500 . ?
C2 C1 1.383(3) . ?
C9 H9 0.9500 . ?
C13 H13 0.9500 . ?
C13 C14 1.393(3) . ?
C24 H24 0.9500 . ?
C24 C23 1.394(3) . ?
C20 C19 1.470(3) . ?
C20 C21 1.391(3) . ?
C15 H15 0.9500 . ?
C15 C14 1.388(3) . ?
C1 H1 0.9500 . ?
C17 H17 0.9500 . ?
C17 C18 1.382(3) . ?
C4 C5 1.392(3) . ?
C14 H14 0.9500 . ?
C8 H8 0.9500 . ?
C8 C7 1.389(3) . ?
C19 C18 1.406(3) . ?
C18 H18 0.9500 . ?
C21 H21 0.9500 . ?
C21 C22 1.391(3) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.518(3) . ?
C23 H23 0.9500 . ?
C23 C22 1.384(3) . ?
C22 H22 0.9500 . ?
C6 H6 0.9500 . ?
C6 C7 1.386(3) . ?
C6 C5 1.387(3) . ?
C7 H7 0.9500 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 H32C 0.9900 . ?
C32 H32D 0.9900 . ?
C32 C31 1.500(4) . ?
C32 C31A 1.560(14) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C27 1.498(3) . ?
B1 H1A 1.11(2) . ?
C5 H5 0.9500 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C25 1.506(3) . ?
C26 C27 1.536(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 H30C 0.9900 . ?
C30 H30D 0.9900 . ?
C30 C31 1.527(4) . ?
C30 C31A 1.428(14) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31A H31C 0.9900 . ?
C31A H31D 0.9900 . ?
C33 C33 1.435(11) 2_655 ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
F1 Y1 O1 90.25(5) . . ?
F1 Y1 O2 82.73(5) . . ?
F1 Y1 N9 76.22(5) . . ?
F1 Y1 N6 77.50(5) . . ?
F1 Y1 N2 137.72(5) . . ?
F1 Y1 N3 74.85(5) . . ?
F1 Y1 N8 138.72(5) . . ?
F1 Y1 N5 138.09(5) . . ?
O1 Y1 O2 137.26(5) . . ?
O1 Y1 N9 69.95(5) . . ?
O1 Y1 N6 151.52(5) . . ?
O1 Y1 N3 69.11(5) . . ?
O1 Y1 N8 71.32(5) . . ?
O1 Y1 N5 130.97(5) . . ?
O2 Y1 N9 145.94(5) . . ?
O2 Y1 N6 67.24(5) . . ?
O2 Y1 N3 68.35(5) . . ?
N9 Y1 N6 82.11(5) . . ?
N9 Y1 N3 128.98(5) . . ?
N6 Y1 N3 129.80(5) . . ?
N2 Y1 O1 74.87(5) . . ?
N2 Y1 O2 82.41(5) . . ?
N2 Y1 N9 130.70(5) . . ?
N2 Y1 N6 130.67(5) . . ?
N2 Y1 N3 62.88(5) . . ?
N2 Y1 N8 73.86(5) . . ?
N2 Y1 N5 71.78(5) . . ?
N8 Y1 O2 135.55(5) . . ?
N8 Y1 N9 62.90(5) . . ?
N8 Y1 N6 101.18(5) . . ?
N8 Y1 N3 127.00(5) . . ?
N5 Y1 O2 71.57(5) . . ?
N5 Y1 N9 107.71(5) . . ?
N5 Y1 N6 62.34(5) . . ?
N5 Y1 N3 121.91(5) . . ?
N5 Y1 N8 65.55(5) . . ?
F2 P1 F4 89.43(8) . . ?
F7 P1 F2 89.39(8) . . ?
F7 P1 F4 88.99(9) . . ?
F5 P1 F2 178.97(11) . . ?
F5 P1 F7 89.79(10) . . ?
F5 P1 F4 89.95(10) . . ?
F6 P1 F2 90.58(9) . . ?
F6 P1 F7 90.46(10) . . ?
F6 P1 F4 179.45(10) . . ?
F6 P1 F5 90.03(10) . . ?
F3 P1 F2 91.44(11) . . ?
F3 P1 F7 178.22(11) . . ?
F3 P1 F4 89.44(10) . . ?
F3 P1 F5 89.37(12) . . ?
F3 P1 F6 91.11(11) . . ?
C29 O1 Y1 131.09(13) . . ?
C32 O1 Y1 120.73(12) . . ?
C32 O1 C29 108.13(16) . . ?
C28 O2 Y1 122.94(12) . . ?
C25 O2 Y1 127.84(12) . . ?
C25 O2 C28 107.80(15) . . ?
N2 N1 B1 120.00(15) . . ?
C1 N1 N2 109.98(16) . . ?
C1 N1 B1 129.80(16) . . ?
C24 N9 Y1 121.85(13) . . ?
C24 N9 C20 117.74(17) . . ?
C20 N9 Y1 119.64(12) . . ?
C16 N6 Y1 122.84(12) . . ?
C16 N6 C12 117.66(16) . . ?
C12 N6 Y1 117.84(12) . . ?
N1 N2 Y1 128.92(12) . . ?
C3 N2 Y1 124.44(12) . . ?
C3 N2 N1 106.52(15) . . ?
N5 N4 B1 118.93(15) . . ?
C9 N4 N5 109.71(15) . . ?
C9 N4 B1 130.64(16) . . ?
C4 N3 Y1 119.28(13) . . ?
C8 N3 Y1 122.87(13) . . ?
C8 N3 C4 117.38(17) . . ?
N7 N8 Y1 129.07(12) . . ?
C19 N8 Y1 124.29(13) . . ?
C19 N8 N7 106.63(15) . . ?
N8 N7 B1 119.56(15) . . ?
C17 N7 N8 109.78(16) . . ?
C17 N7 B1 130.30(17) . . ?
N4 N5 Y1 128.88(12) . . ?
C11 N5 Y1 123.72(12) . . ?
C11 N5 N4 107.01(15) . . ?
N6 C16 H16 118.5 . . ?
N6 C16 C15 123.09(18) . . ?
C15 C16 H16 118.5 . . ?
C11 C10 H10 127.9 . . ?
C9 C10 H10 127.9 . . ?
C9 C10 C11 104.27(16) . . ?
N6 C12 C11 115.20(16) . . ?
N6 C12 C13 122.64(17) . . ?
C13 C12 C11 122.11(17) . . ?
N2 C3 C2 110.47(17) . . ?
N2 C3 C4 117.89(17) . . ?
C2 C3 C4 131.63(18) . . ?
C3 C2 H2 127.8 . . ?
C1 C2 C3 104.41(17) . . ?
C1 C2 H2 127.8 . . ?
N5 C11 C10 110.50(16) . . ?
N5 C11 C12 116.81(16) . . ?
C10 C11 C12 132.36(17) . . ?
N4 C9 C10 108.49(17) . . ?
N4 C9 H9 125.8 . . ?
C10 C9 H9 125.8 . . ?
C12 C13 H13 120.6 . . ?
C14 C13 C12 118.89(18) . . ?
C14 C13 H13 120.6 . . ?
N9 C24 H24 118.4 . . ?
N9 C24 C23 123.23(19) . . ?
C23 C24 H24 118.4 . . ?
N9 C20 C19 115.25(17) . . ?
N9 C20 C21 122.29(19) . . ?
C21 C20 C19 122.46(18) . . ?
C16 C15 H15 120.6 . . ?
C14 C15 C16 118.88(18) . . ?
C14 C15 H15 120.6 . . ?
N1 C1 C2 108.62(17) . . ?
N1 C1 H1 125.7 . . ?
C2 C1 H1 125.7 . . ?
N7 C17 H17 125.7 . . ?
N7 C17 C18 108.63(17) . . ?
C18 C17 H17 125.7 . . ?
N3 C4 C3 114.97(17) . . ?
N3 C4 C5 122.78(19) . . ?
C5 C4 C3 122.22(19) . . ?
C13 C14 H14 120.6 . . ?
C15 C14 C13 118.81(18) . . ?
C15 C14 H14 120.6 . . ?
N3 C8 H8 118.3 . . ?
N3 C8 C7 123.4(2) . . ?
C7 C8 H8 118.3 . . ?
N8 C19 C20 117.13(17) . . ?
N8 C19 C18 110.56(18) . . ?
C18 C19 C20 132.29(18) . . ?
C17 C18 C19 104.39(17) . . ?
C17 C18 H18 127.8 . . ?
C19 C18 H18 127.8 . . ?
C20 C21 H21 120.5 . . ?
C22 C21 C20 119.02(19) . . ?
C22 C21 H21 120.5 . . ?
O1 C29 H29A 110.5 . . ?
O1 C29 H29B 110.5 . . ?
O1 C29 C30 105.95(19) . . ?
H29A C29 H29B 108.7 . . ?
C30 C29 H29A 110.5 . . ?
C30 C29 H29B 110.5 . . ?
C24 C23 H23 120.7 . . ?
C22 C23 C24 118.6(2) . . ?
C22 C23 H23 120.7 . . ?
C21 C22 H22 120.4 . . ?
C23 C22 C21 119.13(19) . . ?
C23 C22 H22 120.4 . . ?
C7 C6 H6 120.5 . . ?
C7 C6 C5 119.1(2) . . ?
C5 C6 H6 120.5 . . ?
C8 C7 H7 120.7 . . ?
C6 C7 C8 118.6(2) . . ?
C6 C7 H7 120.7 . . ?
O1 C32 H32A 110.8 . . ?
O1 C32 H32B 110.8 . . ?
O1 C32 H32C 110.4 . . ?
O1 C32 H32D 110.4 . . ?
O1 C32 C31 104.74(19) . . ?
O1 C32 C31A 106.5(5) . . ?
H32A C32 H32B 108.9 . . ?
H32C C32 H32D 108.6 . . ?
C31 C32 H32A 110.8 . . ?
C31 C32 H32B 110.8 . . ?
C31A C32 H32C 110.4 . . ?
C31A C32 H32D 110.4 . . ?
O2 C28 H28A 110.3 . . ?
O2 C28 H28B 110.3 . . ?
O2 C28 C27 107.24(19) . . ?
H28A C28 H28B 108.5 . . ?
C27 C28 H28A 110.3 . . ?
C27 C28 H28B 110.3 . . ?
N1 B1 N4 107.74(15) . . ?
N1 B1 H1A 111.0(13) . . ?
N4 B1 H1A 110.7(13) . . ?
N7 B1 N1 108.87(16) . . ?
N7 B1 N4 106.77(15) . . ?
N7 B1 H1A 111.5(13) . . ?
C4 C5 H5 120.6 . . ?
C6 C5 C4 118.8(2) . . ?
C6 C5 H5 120.6 . . ?
H26A C26 H26B 109.4 . . ?
C25 C26 H26A 111.6 . . ?
C25 C26 H26B 111.6 . . ?
C25 C26 C27 100.86(19) . . ?
C27 C26 H26A 111.6 . . ?
C27 C26 H26B 111.6 . . ?
O2 C25 C26 104.34(18) . . ?
O2 C25 H25A 110.9 . . ?
O2 C25 H25B 110.9 . . ?
C26 C25 H25A 110.9 . . ?
C26 C25 H25B 110.9 . . ?
H25A C25 H25B 108.9 . . ?
C28 C27 C26 103.10(19) . . ?
C28 C27 H27A 111.1 . . ?
C28 C27 H27B 111.1 . . ?
C26 C27 H27A 111.1 . . ?
C26 C27 H27B 111.1 . . ?
H27A C27 H27B 109.1 . . ?
C29 C30 H30A 110.9 . . ?
C29 C30 H30B 110.9 . . ?
C29 C30 H30C 110.8 . . ?
C29 C30 H30D 110.8 . . ?
C29 C30 C31 104.5(2) . . ?
H30A C30 H30B 108.9 . . ?
H30C C30 H30D 108.9 . . ?
C31 C30 H30A 110.9 . . ?
C31 C30 H30B 110.9 . . ?
C31A C30 C29 104.8(7) . . ?
C31A C30 H30C 110.8 . . ?
C31A C30 H30D 110.8 . . ?
C32 C31 C30 102.1(2) . . ?
C32 C31 H31A 111.3 . . ?
C32 C31 H31B 111.3 . . ?
C30 C31 H31A 111.3 . . ?
C30 C31 H31B 111.3 . . ?
H31A C31 H31B 109.2 . . ?
C32 C31A H31C 111.0 . . ?
C32 C31A H31D 111.0 . . ?
C30 C31A C32 103.9(8) . . ?
C30 C31A H31C 111.0 . . ?
C30 C31A H31D 111.0 . . ?
H31C C31A H31D 109.0 . . ?
C33 C33 H33A 109.5 2_655 . ?
C33 C33 H33B 109.5 2_655 . ?
C33 C33 H33C 109.5 2_655 . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 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
Y1 O1 C29 C30 169.09(18) . . . . ?
Y1 O1 C32 C31 -149.33(17) . . . . ?
Y1 O1 C32 C31A 171.4(7) . . . . ?
Y1 O2 C28 C27 -161.88(17) . . . . ?
Y1 O2 C25 C26 137.35(14) . . . . ?
Y1 N9 C24 C23 170.12(15) . . . . ?
Y1 N9 C20 C19 9.5(2) . . . . ?
Y1 N9 C20 C21 -170.78(15) . . . . ?
Y1 N6 C16 C15 -165.99(15) . . . . ?
Y1 N6 C12 C11 -17.7(2) . . . . ?
Y1 N6 C12 C13 164.96(15) . . . . ?
Y1 N2 C3 C2 -175.70(13) . . . . ?
Y1 N2 C3 C4 5.3(3) . . . . ?
Y1 N3 C4 C3 7.6(2) . . . . ?
Y1 N3 C4 C5 -170.54(18) . . . . ?
Y1 N3 C8 C7 170.85(17) . . . . ?
Y1 N8 N7 C17 -178.31(13) . . . . ?
Y1 N8 N7 B1 7.8(2) . . . . ?
Y1 N8 C19 C20 -3.6(2) . . . . ?
Y1 N8 C19 C18 178.03(12) . . . . ?
Y1 N5 C11 C10 -171.68(12) . . . . ?
Y1 N5 C11 C12 14.1(2) . . . . ?
O1 C29 C30 C31 -10.7(3) . . . . ?
O1 C29 C30 C31A 29.7(7) . . . . ?
O1 C32 C31 C30 -38.5(3) . . . . ?
O1 C32 C31A C30 24.8(11) . . . . ?
O2 C28 C27 C26 19.8(3) . . . . ?
N1 N2 C3 C2 0.5(2) . . . . ?
N1 N2 C3 C4 -178.47(17) . . . . ?
N9 C24 C23 C22 0.3(3) . . . . ?
N9 C20 C19 N8 -4.2(3) . . . . ?
N9 C20 C19 C18 173.8(2) . . . . ?
N9 C20 C21 C22 0.6(3) . . . . ?
N6 C16 C15 C14 1.9(3) . . . . ?
N6 C12 C11 N5 3.6(2) . . . . ?
N6 C12 C11 C10 -169.1(2) . . . . ?
N6 C12 C13 C14 1.6(3) . . . . ?
N2 N1 C1 C2 0.6(2) . . . . ?
N2 N1 B1 N4 -52.6(2) . . . . ?
N2 N1 B1 N7 62.8(2) . . . . ?
N2 C3 C2 C1 -0.2(2) . . . . ?
N2 C3 C4 N3 -8.4(3) . . . . ?
N2 C3 C4 C5 169.8(2) . . . . ?
N4 N5 C11 C10 1.8(2) . . . . ?
N4 N5 C11 C12 -172.49(16) . . . . ?
N3 C4 C5 C6 -0.8(4) . . . . ?
N3 C8 C7 C6 -0.4(4) . . . . ?
N8 N7 C17 C18 0.0(2) . . . . ?
N8 N7 B1 N1 -61.5(2) . . . . ?
N8 N7 B1 N4 54.6(2) . . . . ?
N8 C19 C18 C17 0.9(2) . . . . ?
N7 N8 C19 C20 177.54(16) . . . . ?
N7 N8 C19 C18 -0.9(2) . . . . ?
N7 C17 C18 C19 -0.5(2) . . . . ?
N5 N4 C9 C10 0.5(2) . . . . ?
N5 N4 B1 N1 67.1(2) . . . . ?
N5 N4 B1 N7 -49.7(2) . . . . ?
C16 N6 C12 C11 176.56(17) . . . . ?
C16 N6 C12 C13 -0.8(3) . . . . ?
C16 C15 C14 C13 -1.0(3) . . . . ?
C12 N6 C16 C15 -1.0(3) . . . . ?
C12 C13 C14 C15 -0.7(3) . . . . ?
C3 C2 C1 N1 -0.2(2) . . . . ?
C3 C4 C5 C6 -178.8(2) . . . . ?
C2 C3 C4 N3 172.9(2) . . . . ?
C2 C3 C4 C5 -9.0(4) . . . . ?
C11 C10 C9 N4 0.6(2) . . . . ?
C11 C12 C13 C14 -175.53(18) . . . . ?
C9 N4 N5 Y1 171.61(13) . . . . ?
C9 N4 N5 C11 -1.4(2) . . . . ?
C9 N4 B1 N1 -123.7(2) . . . . ?
C9 N4 B1 N7 119.4(2) . . . . ?
C9 C10 C11 N5 -1.5(2) . . . . ?
C9 C10 C11 C12 171.6(2) . . . . ?
C13 C12 C11 N5 -179.06(18) . . . . ?
C13 C12 C11 C10 8.2(3) . . . . ?
C24 N9 C20 C19 179.71(17) . . . . ?
C24 N9 C20 C21 -0.6(3) . . . . ?
C24 C23 C22 C21 -0.3(3) . . . . ?
C20 N9 C24 C23 0.2(3) . . . . ?
C20 C19 C18 C17 -177.2(2) . . . . ?
C20 C21 C22 C23 -0.1(3) . . . . ?
C1 N1 N2 Y1 175.33(13) . . . . ?
C1 N1 N2 C3 -0.7(2) . . . . ?
C1 N1 B1 N4 121.3(2) . . . . ?
C1 N1 B1 N7 -123.3(2) . . . . ?
C17 N7 B1 N1 126.1(2) . . . . ?
C17 N7 B1 N4 -117.8(2) . . . . ?
C4 N3 C8 C7 -1.3(3) . . . . ?
C4 C3 C2 C1 178.6(2) . . . . ?
C8 N3 C4 C3 -179.92(18) . . . . ?
C8 N3 C4 C5 1.9(3) . . . . ?
C19 N8 N7 C17 0.5(2) . . . . ?
C19 N8 N7 B1 -173.32(16) . . . . ?
C19 C20 C21 C22 -179.74(19) . . . . ?
C21 C20 C19 N8 176.07(19) . . . . ?
C21 C20 C19 C18 -5.9(3) . . . . ?
C29 O1 C32 C31 33.0(3) . . . . ?
C29 O1 C32 C31A -6.2(7) . . . . ?
C29 C30 C31 C32 29.5(3) . . . . ?
C29 C30 C31A C32 -32.5(10) . . . . ?
C7 C6 C5 C4 -1.1(4) . . . . ?
C32 O1 C29 C30 -13.6(3) . . . . ?
C28 O2 C25 C26 -29.2(2) . . . . ?
B1 N1 N2 Y1 -9.7(2) . . . . ?
B1 N1 N2 C3 174.30(17) . . . . ?
B1 N1 C1 C2 -173.78(19) . . . . ?
B1 N4 N5 Y1 -17.1(2) . . . . ?
B1 N4 N5 C11 169.88(16) . . . . ?
B1 N4 C9 C10 -169.43(19) . . . . ?
B1 N7 C17 C18 173.01(18) . . . . ?
C5 C6 C7 C8 1.6(4) . . . . ?
C25 O2 C28 C27 5.5(3) . . . . ?
C25 C26 C27 C28 -36.2(3) . . . . ?
C27 C26 C25 O2 40.2(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

# start Validation Reply Form
_vrf_PLAT934_jrt199_230508_0m_a  
;
PROBLEM: Number of (Iobs-Icalc)/Sigma(W) > 10 Outliers ..         13 Check 
RESPONSE: CheckCIF uses a different method of calculating these than
does SHELXL, there really isn't a problem.
;
# end Validation Reply Form
####################################################################### 
# 
# 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_jrt204_240111_a
_database_code_depnum_ccdc_archive 'CCDC 2325965'
loop_
_audit_author_name
_audit_author_address
'Scott Andrew Sulway'
;The University of New South Wales
Australia
;
_audit_update_record             
;
2024-01-17 deposited with the CCDC.	2024-05-15 downloaded from the CCDC.
;
_audit_creation_date             2024-01-11
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H35 B Dy F N9 O2, F6 P'
_chemical_formula_sum            'C32 H35 B Dy F7 N9 O2 P'
_chemical_formula_weight         914.97
_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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   31.5818(13)
_cell_length_b                   12.2694(5)
_cell_length_c                   22.8942(9)
_cell_angle_alpha                90
_cell_angle_beta                 125.2830(10)
_cell_angle_gamma                90
_cell_volume                     7241.7(5)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9401
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      33.194
_cell_measurement_theta_min      2.179
_shelx_estimated_absorpt_T_max   0.669
_shelx_estimated_absorpt_T_min   0.408
_exptl_absorpt_coefficient_mu    2.188
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_correction_T_min  0.4488
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1339 before and 0.0790 after correction.
The Ratio of minimum to maximum transmission is 0.6012.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.678
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3640
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0506
_diffrn_reflns_av_unetI/netI     0.0237
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            92218
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.282
_diffrn_reflns_theta_min         2.358
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8Quest'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7382
_reflns_number_total             8994
_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 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.794
_refine_diff_density_min         -1.432
_refine_diff_density_rms         0.132
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     481
_refine_ls_number_reflns         8994
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.0354
_refine_ls_restrained_S_all      1.112
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0048P)²+84.8420P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0742
_refine_ls_wR_factor_ref         0.0827
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C25(H25A,H25B), C29(H29A,H29B), C26(H26A,H26B), C28(H28A,H28B), C32(H32A,
 H32B), C31(H31A,H31B), C27(H27A,H27B), C30(H30A,H30B)
2.b Aromatic/amide H refined with riding coordinates:
 C18(H18), C2(H2), C1(H1), C23(H23), C9(H9), C16(H16), C24(H24), C22(H22),
 C8(H8), C10(H10), C17(H17), C21(H21), C7(H7), C6(H6), C15(H15), C5(H5),
 C13(H13), C14(H14)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.65823(2) 0.49803(2) 0.51360(2) 0.01091(5) Uani 1 1 d . . . . .
P1 P 0.41294(4) 1.01023(9) 0.31051(6) 0.0293(2) Uani 1 1 d . . . . .
F1 F 0.71899(8) 0.59397(17) 0.59623(11) 0.0201(4) Uani 1 1 d . . . . .
F3 F 0.36671(11) 1.0010(2) 0.32010(17) 0.0411(6) Uani 1 1 d . . . . .
F6 F 0.41602(10) 0.8802(2) 0.30985(15) 0.0372(6) Uani 1 1 d . . . . .
N1 N 0.53331(11) 0.4478(2) 0.36119(15) 0.0163(5) Uani 1 1 d . . . . .
F7 F 0.45331(11) 1.0086(2) 0.39634(14) 0.0424(7) Uani 1 1 d . . . . .
O1 O 0.62168(9) 0.5204(2) 0.58536(14) 0.0206(5) Uani 1 1 d . . . . .
N3 N 0.61695(12) 0.6926(2) 0.49580(16) 0.0194(6) Uani 1 1 d . . . . .
N4 N 0.56689(10) 0.2867(2) 0.44316(15) 0.0149(5) Uani 1 1 d . . . . .
N6 N 0.70151(11) 0.3669(2) 0.62471(15) 0.0161(5) Uani 1 1 d . . . . .
N2 N 0.56603(11) 0.5205(2) 0.41211(16) 0.0176(6) Uani 1 1 d . . . . .
O2 O 0.66012(11) 0.6048(2) 0.42267(15) 0.0273(6) Uani 1 1 d . . . . .
N9 N 0.73833(11) 0.4408(2) 0.51460(16) 0.0182(6) Uani 1 1 d . . . . .
N8 N 0.64237(12) 0.3715(2) 0.41776(16) 0.0181(6) Uani 1 1 d . . . . .
F2 F 0.37289(14) 1.0146(3) 0.22675(16) 0.0629(10) Uani 1 1 d . . . . .
F4 F 0.41025(15) 1.1406(2) 0.31309(19) 0.0639(10) Uani 1 1 d . . . . .
N7 N 0.59768(11) 0.3201(2) 0.36647(15) 0.0170(6) Uani 1 1 d . . . . .
N5 N 0.61094(11) 0.3284(2) 0.50213(15) 0.0166(6) Uani 1 1 d . . . . .
C18 C 0.65728(15) 0.2717(3) 0.3490(2) 0.0223(7) Uani 1 1 d . . . . .
H18 H 0.674284 0.239477 0.330014 0.027 Uiso 1 1 calc R U . . .
C2 C 0.49032(14) 0.6037(3) 0.3318(2) 0.0264(8) Uani 1 1 d . . . . .
H2 H 0.464086 0.657727 0.307632 0.032 Uiso 1 1 calc R U . . .
C1 C 0.48781(13) 0.4964(3) 0.31280(19) 0.0221(7) Uani 1 1 d . . . . .
H1 H 0.458653 0.462075 0.272084 0.026 Uiso 1 1 calc R U . . .
C23 C 0.82783(15) 0.4644(3) 0.5588(2) 0.0256(8) Uani 1 1 d . . . . .
H23 H 0.860987 0.493878 0.594015 0.031 Uiso 1 1 calc R U . . .
C19 C 0.67848(14) 0.3418(3) 0.40782(19) 0.0179(6) Uani 1 1 d . . . . .
C9 C 0.55004(14) 0.2019(3) 0.4626(2) 0.0199(7) Uani 1 1 d . . . . .
H9 H 0.520043 0.159248 0.431117 0.024 Uiso 1 1 calc R U . . .
C20 C 0.73114(13) 0.3828(3) 0.45914(19) 0.0175(6) Uani 1 1 d . . . . .
C16 C 0.74843(13) 0.3861(3) 0.68570(19) 0.0201(7) Uani 1 1 d . . . . .
H16 H 0.769882 0.439956 0.685319 0.024 Uiso 1 1 calc R U . . .
C3 C 0.54030(13) 0.6154(3) 0.39477(19) 0.0192(7) Uani 1 1 d . . . . .
C24 C 0.78620(14) 0.4807(3) 0.5632(2) 0.0221(7) Uani 1 1 d . . . . .
H24 H 0.791710 0.521809 0.602207 0.026 Uiso 1 1 calc R U . . .
F5 F 0.46056(14) 1.0223(4) 0.3052(2) 0.0723(12) Uani 1 1 d . . . . .
C22 C 0.82016(15) 0.4046(3) 0.5023(2) 0.0264(8) Uani 1 1 d . . . . .
H22 H 0.848055 0.391809 0.498243 0.032 Uiso 1 1 calc R U . . .
C8 C 0.64282(15) 0.7756(3) 0.5411(2) 0.0222(7) Uani 1 1 d . . . . .
H8 H 0.678631 0.766191 0.578003 0.027 Uiso 1 1 calc R U . . .
C10 C 0.58349(13) 0.1877(3) 0.53560(19) 0.0194(7) Uani 1 1 d . . . . .
H10 H 0.581431 0.135198 0.564382 0.023 Uiso 1 1 calc R U . . .
C11 C 0.62137(13) 0.2687(3) 0.55766(18) 0.0156(6) Uani 1 1 d . . . . .
C4 C 0.56654(13) 0.7095(3) 0.44245(19) 0.0185(7) Uani 1 1 d . . . . .
C12 C 0.67108(13) 0.2907(3) 0.62685(18) 0.0155(6) Uani 1 1 d . . . . .
C17 C 0.60596(15) 0.2598(3) 0.32471(19) 0.0213(7) Uani 1 1 d . . . . .
H17 H 0.580786 0.216367 0.285236 0.026 Uiso 1 1 calc R U . . .
B1 B 0.54952(15) 0.3269(3) 0.3685(2) 0.0179(7) Uani 1 1 d . . . . .
H1A H 0.5169(16) 0.278(4) 0.326(2) 0.021 Uiso 1 1 d . U . . .
C21 C 0.77121(15) 0.3635(3) 0.4516(2) 0.0238(7) Uani 1 1 d . . . . .
H21 H 0.765024 0.322552 0.412107 0.029 Uiso 1 1 calc R U . . .
C7 C 0.61984(17) 0.8747(3) 0.5368(2) 0.0303(9) Uani 1 1 d . . . . .
H7 H 0.639462 0.931163 0.570233 0.036 Uiso 1 1 calc R U . . .
C6 C 0.56791(18) 0.8895(3) 0.4828(3) 0.0368(10) Uani 1 1 d . . . . .
H6 H 0.551010 0.956008 0.478791 0.044 Uiso 1 1 calc R U . . .
C15 C 0.76700(14) 0.3310(3) 0.7491(2) 0.0239(7) Uani 1 1 d . . . . .
H15 H 0.800793 0.345530 0.790648 0.029 Uiso 1 1 calc R U . . .
C5 C 0.54099(17) 0.8056(3) 0.4347(3) 0.0341(10) Uani 1 1 d . . . . .
H5 H 0.505349 0.813968 0.396789 0.041 Uiso 1 1 calc R U . . .
C13 C 0.68647(14) 0.2346(3) 0.68864(19) 0.0202(7) Uani 1 1 d . . . . .
H13 H 0.663881 0.183288 0.688487 0.024 Uiso 1 1 calc R U . . .
C14 C 0.73546(15) 0.2543(3) 0.7510(2) 0.0253(8) Uani 1 1 d . . . . .
H14 H 0.747053 0.216131 0.793925 0.030 Uiso 1 1 calc R U . . .
C25 C 0.56823(14) 0.5143(4) 0.5607(2) 0.0276(8) Uani 1 1 d . . . . .
H25A H 0.561187 0.444919 0.575684 0.033 Uiso 1 1 calc R U . . .
H25B H 0.544771 0.519998 0.507918 0.033 Uiso 1 1 calc R U . . .
C29 C 0.62604(18) 0.6011(4) 0.3442(2) 0.0369(10) Uani 1 1 d . . . . .
H29A H 0.592171 0.635359 0.326071 0.044 Uiso 1 1 calc R U . . .
H29B H 0.620004 0.524825 0.327092 0.044 Uiso 1 1 calc R U . . .
C26 C 0.5612(2) 0.6095(5) 0.5953(3) 0.0434(12) Uani 1 1 d . . . . .
H26A H 0.531456 0.598600 0.598321 0.052 Uiso 1 1 calc R U . . .
H26B H 0.556359 0.678276 0.569489 0.052 Uiso 1 1 calc R U . . .
C28 C 0.65099(17) 0.5663(4) 0.6568(2) 0.0342(10) Uani 1 1 d . . . . .
H28A H 0.673539 0.626053 0.660594 0.041 Uiso 1 1 calc R U . . .
H28B H 0.673167 0.509700 0.692497 0.041 Uiso 1 1 calc R U . . .
C32 C 0.69714(18) 0.6893(4) 0.4433(2) 0.0337(9) Uani 1 1 d . . . . .
H32A H 0.729867 0.672826 0.490205 0.040 Uiso 1 1 calc R U . . .
H32B H 0.683557 0.759987 0.446641 0.040 Uiso 1 1 calc R U . . .
C31 C 0.7058(3) 0.6925(6) 0.3857(3) 0.0665(19) Uani 1 1 d . . . . .
H31A H 0.732546 0.638928 0.395171 0.080 Uiso 1 1 calc R U . . .
H31B H 0.716918 0.766091 0.381879 0.080 Uiso 1 1 calc R U . . .
C27 C 0.6132(2) 0.6087(6) 0.6701(3) 0.0586(16) Uani 1 1 d . . . . .
H27A H 0.622812 0.683069 0.690625 0.070 Uiso 1 1 calc R U . . .
H27B H 0.611371 0.560467 0.703253 0.070 Uiso 1 1 calc R U . . .
C30 C 0.6539(2) 0.6638(6) 0.3189(3) 0.0598(17) Uani 1 1 d . . . . .
H30A H 0.658117 0.618281 0.286877 0.072 Uiso 1 1 calc R U . . .
H30B H 0.634432 0.730461 0.292876 0.072 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 F1 2.110(2) . ?
Dy1 O1 2.510(2) . ?
Dy1 N3 2.636(3) . ?
Dy1 N6 2.629(3) . ?
Dy1 N2 2.477(3) . ?
Dy1 O2 2.489(3) . ?
Dy1 N9 2.613(3) . ?
Dy1 N8 2.491(3) . ?
Dy1 N5 2.485(3) . ?
P1 F3 1.601(3) . ?
P1 F6 1.599(3) . ?
P1 F7 1.610(3) . ?
P1 F2 1.574(3) . ?
P1 F4 1.604(3) . ?
P1 F5 1.584(3) . ?
N1 N2 1.353(4) . ?
N1 C1 1.345(4) . ?
N1 B1 1.546(5) . ?
O1 C25 1.440(4) . ?
O1 C28 1.449(5) . ?
N3 C8 1.343(5) . ?
N3 C4 1.350(4) . ?
N4 N5 1.360(4) . ?
N4 C9 1.356(4) . ?
N4 B1 1.544(5) . ?
N6 C16 1.345(4) . ?
N6 C12 1.362(4) . ?
N2 C3 1.341(4) . ?
O2 C29 1.468(5) . ?
O2 C32 1.424(5) . ?
N9 C20 1.355(5) . ?
N9 C24 1.349(5) . ?
N8 N7 1.361(4) . ?
N8 C19 1.336(4) . ?
N7 C17 1.349(4) . ?
N7 B1 1.551(5) . ?
N5 C11 1.334(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.401(5) . ?
C18 C17 1.384(5) . ?
C2 H2 0.9500 . ?
C2 C1 1.374(5) . ?
C2 C3 1.401(5) . ?
C1 H1 0.9500 . ?
C23 H23 0.9500 . ?
C23 C24 1.390(5) . ?
C23 C22 1.382(6) . ?
C19 C20 1.463(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.378(5) . ?
C20 C21 1.393(5) . ?
C16 H16 0.9500 . ?
C16 C15 1.388(5) . ?
C3 C4 1.472(5) . ?
C24 H24 0.9500 . ?
C22 H22 0.9500 . ?
C22 C21 1.385(6) . ?
C8 H8 0.9500 . ?
C8 C7 1.389(5) . ?
C10 H10 0.9500 . ?
C10 C11 1.405(5) . ?
C11 C12 1.474(5) . ?
C4 C5 1.381(5) . ?
C12 C13 1.384(5) . ?
C17 H17 0.9500 . ?
B1 H1A 1.10(4) . ?
C21 H21 0.9500 . ?
C7 H7 0.9500 . ?
C7 C6 1.382(6) . ?
C6 H6 0.9500 . ?
C6 C5 1.383(6) . ?
C15 H15 0.9500 . ?
C15 C14 1.389(5) . ?
C5 H5 0.9500 . ?
C13 H13 0.9500 . ?
C13 C14 1.393(5) . ?
C14 H14 0.9500 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.499(6) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.513(7) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.543(8) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C27 1.486(7) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C31 1.494(7) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C30 1.501(8) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 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
F1 Dy1 O1 82.88(8) . . ?
F1 Dy1 N3 75.28(9) . . ?
F1 Dy1 N6 77.20(9) . . ?
F1 Dy1 N2 138.27(9) . . ?
F1 Dy1 O2 90.42(9) . . ?
F1 Dy1 N9 76.55(9) . . ?
F1 Dy1 N8 138.87(9) . . ?
F1 Dy1 N5 137.87(9) . . ?
O1 Dy1 N3 68.21(9) . . ?
O1 Dy1 N6 67.18(9) . . ?
O1 Dy1 N9 146.40(9) . . ?
N6 Dy1 N3 129.64(9) . . ?
N2 Dy1 O1 82.30(9) . . ?
N2 Dy1 N3 62.99(9) . . ?
N2 Dy1 N6 130.42(9) . . ?
N2 Dy1 O2 74.93(10) . . ?
N2 Dy1 N9 130.22(9) . . ?
N2 Dy1 N8 73.37(10) . . ?
N2 Dy1 N5 71.65(10) . . ?
O2 Dy1 O1 137.06(9) . . ?
O2 Dy1 N3 69.07(10) . . ?
O2 Dy1 N6 151.77(9) . . ?
O2 Dy1 N9 70.00(9) . . ?
O2 Dy1 N8 71.41(10) . . ?
N9 Dy1 N3 129.37(10) . . ?
N9 Dy1 N6 82.38(9) . . ?
N8 Dy1 O1 135.27(9) . . ?
N8 Dy1 N3 126.74(9) . . ?
N8 Dy1 N6 101.46(9) . . ?
N8 Dy1 N9 62.70(10) . . ?
N5 Dy1 O1 71.66(9) . . ?
N5 Dy1 N3 121.91(10) . . ?
N5 Dy1 N6 62.27(9) . . ?
N5 Dy1 O2 130.96(9) . . ?
N5 Dy1 N9 107.20(9) . . ?
N5 Dy1 N8 65.31(10) . . ?
F3 P1 F7 88.50(17) . . ?
F3 P1 F4 89.64(18) . . ?
F6 P1 F3 89.76(15) . . ?
F6 P1 F7 89.40(15) . . ?
F6 P1 F4 178.64(19) . . ?
F2 P1 F3 90.84(19) . . ?
F2 P1 F6 91.90(18) . . ?
F2 P1 F7 178.5(2) . . ?
F2 P1 F4 89.3(2) . . ?
F2 P1 F5 91.9(2) . . ?
F4 P1 F7 89.37(18) . . ?
F5 P1 F3 176.9(2) . . ?
F5 P1 F6 91.6(2) . . ?
F5 P1 F7 88.69(19) . . ?
F5 P1 F4 89.0(2) . . ?
N2 N1 B1 119.9(3) . . ?
C1 N1 N2 109.8(3) . . ?
C1 N1 B1 130.1(3) . . ?
C25 O1 Dy1 128.0(2) . . ?
C25 O1 C28 107.6(3) . . ?
C28 O1 Dy1 123.1(2) . . ?
C8 N3 Dy1 122.8(2) . . ?
C8 N3 C4 117.1(3) . . ?
C4 N3 Dy1 119.9(2) . . ?
N5 N4 B1 119.0(3) . . ?
C9 N4 N5 109.4(3) . . ?
C9 N4 B1 130.8(3) . . ?
C16 N6 Dy1 122.9(2) . . ?
C16 N6 C12 117.4(3) . . ?
C12 N6 Dy1 118.1(2) . . ?
N1 N2 Dy1 129.3(2) . . ?
C3 N2 Dy1 123.9(2) . . ?
C3 N2 N1 106.6(3) . . ?
C29 O2 Dy1 130.7(2) . . ?
C32 O2 Dy1 121.2(2) . . ?
C32 O2 C29 108.0(3) . . ?
C20 N9 Dy1 119.7(2) . . ?
C24 N9 Dy1 121.9(2) . . ?
C24 N9 C20 117.7(3) . . ?
N7 N8 Dy1 129.0(2) . . ?
C19 N8 Dy1 124.2(2) . . ?
C19 N8 N7 106.8(3) . . ?
N8 N7 B1 119.7(3) . . ?
C17 N7 N8 109.7(3) . . ?
C17 N7 B1 130.2(3) . . ?
N4 N5 Dy1 128.9(2) . . ?
C11 N5 Dy1 123.9(2) . . ?
C11 N5 N4 106.7(3) . . ?
C19 C18 H18 127.8 . . ?
C17 C18 H18 127.8 . . ?
C17 C18 C19 104.4(3) . . ?
C1 C2 H2 127.8 . . ?
C1 C2 C3 104.4(3) . . ?
C3 C2 H2 127.8 . . ?
N1 C1 C2 109.0(3) . . ?
N1 C1 H1 125.5 . . ?
C2 C1 H1 125.5 . . ?
C24 C23 H23 120.6 . . ?
C22 C23 H23 120.6 . . ?
C22 C23 C24 118.9(4) . . ?
N8 C19 C18 110.5(3) . . ?
N8 C19 C20 117.1(3) . . ?
C18 C19 C20 132.3(3) . . ?
N4 C9 H9 125.5 . . ?
N4 C9 C10 108.9(3) . . ?
C10 C9 H9 125.5 . . ?
N9 C20 C19 115.5(3) . . ?
N9 C20 C21 122.2(3) . . ?
C21 C20 C19 122.3(3) . . ?
N6 C16 H16 118.4 . . ?
N6 C16 C15 123.2(3) . . ?
C15 C16 H16 118.4 . . ?
N2 C3 C2 110.2(3) . . ?
N2 C3 C4 118.4(3) . . ?
C2 C3 C4 131.3(3) . . ?
N9 C24 C23 123.0(4) . . ?
N9 C24 H24 118.5 . . ?
C23 C24 H24 118.5 . . ?
C23 C22 H22 120.5 . . ?
C23 C22 C21 119.0(3) . . ?
C21 C22 H22 120.5 . . ?
N3 C8 H8 118.4 . . ?
N3 C8 C7 123.3(4) . . ?
C7 C8 H8 118.4 . . ?
C9 C10 H10 128.0 . . ?
C9 C10 C11 104.1(3) . . ?
C11 C10 H10 128.0 . . ?
N5 C11 C10 110.8(3) . . ?
N5 C11 C12 116.5(3) . . ?
C10 C11 C12 132.3(3) . . ?
N3 C4 C3 114.5(3) . . ?
N3 C4 C5 122.9(3) . . ?
C5 C4 C3 122.5(3) . . ?
N6 C12 C11 115.0(3) . . ?
N6 C12 C13 122.6(3) . . ?
C13 C12 C11 122.3(3) . . ?
N7 C17 C18 108.6(3) . . ?
N7 C17 H17 125.7 . . ?
C18 C17 H17 125.7 . . ?
N1 B1 N7 108.5(3) . . ?
N1 B1 H1A 110(2) . . ?
N4 B1 N1 108.1(3) . . ?
N4 B1 N7 106.8(3) . . ?
N4 B1 H1A 111(2) . . ?
N7 B1 H1A 112(2) . . ?
C20 C21 H21 120.4 . . ?
C22 C21 C20 119.2(4) . . ?
C22 C21 H21 120.4 . . ?
C8 C7 H7 120.7 . . ?
C6 C7 C8 118.7(4) . . ?
C6 C7 H7 120.7 . . ?
C7 C6 H6 120.6 . . ?
C7 C6 C5 118.7(4) . . ?
C5 C6 H6 120.6 . . ?
C16 C15 H15 120.5 . . ?
C16 C15 C14 119.0(3) . . ?
C14 C15 H15 120.5 . . ?
C4 C5 C6 119.2(4) . . ?
C4 C5 H5 120.4 . . ?
C6 C5 H5 120.4 . . ?
C12 C13 H13 120.4 . . ?
C12 C13 C14 119.2(3) . . ?
C14 C13 H13 120.4 . . ?
C15 C14 C13 118.5(3) . . ?
C15 C14 H14 120.7 . . ?
C13 C14 H14 120.7 . . ?
O1 C25 H25A 110.9 . . ?
O1 C25 H25B 110.9 . . ?
O1 C25 C26 104.5(4) . . ?
H25A C25 H25B 108.9 . . ?
C26 C25 H25A 110.9 . . ?
C26 C25 H25B 110.9 . . ?
O2 C29 H29A 110.5 . . ?
O2 C29 H29B 110.5 . . ?
O2 C29 C30 106.0(4) . . ?
H29A C29 H29B 108.7 . . ?
C30 C29 H29A 110.5 . . ?
C30 C29 H29B 110.5 . . ?
C25 C26 H26A 111.5 . . ?
C25 C26 H26B 111.5 . . ?
C25 C26 C27 101.2(4) . . ?
H26A C26 H26B 109.3 . . ?
C27 C26 H26A 111.5 . . ?
C27 C26 H26B 111.5 . . ?
O1 C28 H28A 110.2 . . ?
O1 C28 H28B 110.2 . . ?
O1 C28 C27 107.6(4) . . ?
H28A C28 H28B 108.5 . . ?
C27 C28 H28A 110.2 . . ?
C27 C28 H28B 110.2 . . ?
O2 C32 H32A 110.7 . . ?
O2 C32 H32B 110.7 . . ?
O2 C32 C31 105.1(4) . . ?
H32A C32 H32B 108.8 . . ?
C31 C32 H32A 110.7 . . ?
C31 C32 H32B 110.7 . . ?
C32 C31 H31A 110.9 . . ?
C32 C31 H31B 110.9 . . ?
C32 C31 C30 104.1(5) . . ?
H31A C31 H31B 109.0 . . ?
C30 C31 H31A 110.9 . . ?
C30 C31 H31B 110.9 . . ?
C26 C27 H27A 111.0 . . ?
C26 C27 H27B 111.0 . . ?
C28 C27 C26 103.9(4) . . ?
C28 C27 H27A 111.0 . . ?
C28 C27 H27B 111.0 . . ?
H27A C27 H27B 109.0 . . ?
C29 C30 H30A 110.7 . . ?
C29 C30 H30B 110.7 . . ?
C31 C30 C29 105.3(4) . . ?
C31 C30 H30A 110.7 . . ?
C31 C30 H30B 110.7 . . ?
H30A C30 H30B 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 C26 -135.3(3) . . . . ?
Dy1 O1 C28 C27 157.0(4) . . . . ?
Dy1 N3 C8 C7 -172.8(3) . . . . ?
Dy1 N3 C4 C3 -4.7(4) . . . . ?
Dy1 N3 C4 C5 172.9(3) . . . . ?
Dy1 N6 C16 C15 166.3(3) . . . . ?
Dy1 N6 C12 C11 17.4(4) . . . . ?
Dy1 N6 C12 C13 -165.2(3) . . . . ?
Dy1 N2 C3 C2 175.3(3) . . . . ?
Dy1 N2 C3 C4 -6.0(5) . . . . ?
Dy1 O2 C29 C30 -166.3(4) . . . . ?
Dy1 O2 C32 C31 150.9(4) . . . . ?
Dy1 N9 C20 C19 -9.5(4) . . . . ?
Dy1 N9 C20 C21 170.6(3) . . . . ?
Dy1 N9 C24 C23 -170.3(3) . . . . ?
Dy1 N8 N7 C17 179.3(2) . . . . ?
Dy1 N8 N7 B1 -7.2(4) . . . . ?
Dy1 N8 C19 C18 -179.0(2) . . . . ?
Dy1 N8 C19 C20 3.1(4) . . . . ?
Dy1 N5 C11 C10 171.0(2) . . . . ?
Dy1 N5 C11 C12 -14.9(4) . . . . ?
N1 N2 C3 C2 -0.1(4) . . . . ?
N1 N2 C3 C4 178.6(3) . . . . ?
O1 C25 C26 C27 -38.9(5) . . . . ?
O1 C28 C27 C26 -13.6(6) . . . . ?
N3 C8 C7 C6 -0.7(7) . . . . ?
N3 C4 C5 C6 0.8(7) . . . . ?
N4 N5 C11 C10 -0.9(4) . . . . ?
N4 N5 C11 C12 173.2(3) . . . . ?
N4 C9 C10 C11 -0.6(4) . . . . ?
N6 C16 C15 C14 -1.9(6) . . . . ?
N6 C12 C13 C14 -1.6(5) . . . . ?
N2 N1 C1 C2 0.1(4) . . . . ?
N2 N1 B1 N4 52.3(4) . . . . ?
N2 N1 B1 N7 -63.1(4) . . . . ?
N2 C3 C4 N3 6.9(5) . . . . ?
N2 C3 C4 C5 -170.7(4) . . . . ?
O2 C29 C30 C31 4.9(7) . . . . ?
O2 C32 C31 C30 33.9(7) . . . . ?
N9 C20 C21 C22 0.1(6) . . . . ?
N8 N7 C17 C18 0.0(4) . . . . ?
N8 N7 B1 N1 61.4(4) . . . . ?
N8 N7 B1 N4 -54.9(4) . . . . ?
N8 C19 C20 N9 4.4(5) . . . . ?
N8 C19 C20 C21 -175.6(3) . . . . ?
N7 N8 C19 C18 0.8(4) . . . . ?
N7 N8 C19 C20 -177.1(3) . . . . ?
N5 N4 C9 C10 0.1(4) . . . . ?
N5 N4 B1 N1 -67.5(4) . . . . ?
N5 N4 B1 N7 49.1(4) . . . . ?
N5 C11 C12 N6 -2.8(4) . . . . ?
N5 C11 C12 C13 179.8(3) . . . . ?
C18 C19 C20 N9 -172.9(4) . . . . ?
C18 C19 C20 C21 7.0(6) . . . . ?
C2 C3 C4 N3 -174.8(4) . . . . ?
C2 C3 C4 C5 7.6(7) . . . . ?
C1 N1 N2 Dy1 -175.1(2) . . . . ?
C1 N1 N2 C3 -0.1(4) . . . . ?
C1 N1 B1 N4 -121.6(4) . . . . ?
C1 N1 B1 N7 123.0(4) . . . . ?
C1 C2 C3 N2 0.1(5) . . . . ?
C1 C2 C3 C4 -178.3(4) . . . . ?
C23 C22 C21 C20 -0.5(6) . . . . ?
C19 N8 N7 C17 -0.5(4) . . . . ?
C19 N8 N7 B1 173.0(3) . . . . ?
C19 C18 C17 N7 0.5(4) . . . . ?
C19 C20 C21 C22 -179.9(3) . . . . ?
C9 N4 N5 Dy1 -170.8(2) . . . . ?
C9 N4 N5 C11 0.5(4) . . . . ?
C9 N4 B1 N1 123.8(4) . . . . ?
C9 N4 B1 N7 -119.6(4) . . . . ?
C9 C10 C11 N5 1.0(4) . . . . ?
C9 C10 C11 C12 -171.9(4) . . . . ?
C20 N9 C24 C23 -0.3(5) . . . . ?
C16 N6 C12 C11 -176.7(3) . . . . ?
C16 N6 C12 C13 0.6(5) . . . . ?
C16 C15 C14 C13 0.8(6) . . . . ?
C3 C2 C1 N1 -0.2(5) . . . . ?
C3 C4 C5 C6 178.2(4) . . . . ?
C24 N9 C20 C19 -179.7(3) . . . . ?
C24 N9 C20 C21 0.3(5) . . . . ?
C24 C23 C22 C21 0.5(6) . . . . ?
C22 C23 C24 N9 -0.1(6) . . . . ?
C8 N3 C4 C3 -179.8(3) . . . . ?
C8 N3 C4 C5 -2.2(6) . . . . ?
C8 C7 C6 C5 -0.8(7) . . . . ?
C10 C11 C12 N6 169.8(4) . . . . ?
C10 C11 C12 C13 -7.6(6) . . . . ?
C11 C12 C13 C14 175.6(3) . . . . ?
C4 N3 C8 C7 2.1(6) . . . . ?
C12 N6 C16 C15 1.1(5) . . . . ?
C12 C13 C14 C15 0.8(6) . . . . ?
C17 N7 B1 N1 -126.7(4) . . . . ?
C17 N7 B1 N4 117.1(4) . . . . ?
C17 C18 C19 N8 -0.8(4) . . . . ?
C17 C18 C19 C20 176.7(4) . . . . ?
B1 N1 N2 Dy1 9.9(4) . . . . ?
B1 N1 N2 C3 -175.1(3) . . . . ?
B1 N1 C1 C2 174.5(4) . . . . ?
B1 N4 N5 Dy1 18.2(4) . . . . ?
B1 N4 N5 C11 -170.4(3) . . . . ?
B1 N4 C9 C10 169.6(3) . . . . ?
B1 N7 C17 C18 -172.6(3) . . . . ?
C7 C6 C5 C4 0.7(8) . . . . ?
C25 O1 C28 C27 -11.1(5) . . . . ?
C25 C26 C27 C28 31.7(6) . . . . ?
C29 O2 C32 C31 -31.7(5) . . . . ?
C28 O1 C25 C26 32.0(4) . . . . ?
C32 O2 C29 C30 16.6(5) . . . . ?
C32 C31 C30 C29 -23.3(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
