#------------------------------------------------------------------------------
#$Date: 2024-09-06 02:19:36 +0200 (Fri 06 de Sep de 2024) $
#$Revision: 294528 $
#$URL: svn://www.crystallography.net/cod/cif/7/24/90/7249089.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7249089
loop_
_publ_author_name
'Hu, Peng'
'Ding, Manman'
'Gao, Xinpeng'
'Zhu, Aixin'
'Xiao, Fengping'
'Cao, Jiangfei'
'Zhang, Yiquan'
_publ_section_title
;
 Apparently improved energy barrier of Dy(iii) SMMs by adopting the
 bridging bipyrimidine ligand
;
_journal_issue                   34
_journal_name_full               CrystEngComm
_journal_page_first              4657
_journal_page_last               4668
_journal_paper_doi               10.1039/D4CE00436A
_journal_volume                  26
_journal_year                    2024
_chemical_formula_sum            'C27 H24 Dy F9 N2 O6'
_chemical_formula_weight         805.98
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-06-15 deposited with the CCDC.	2024-07-22 downloaded from the CCDC.
;
_cell_angle_alpha                90.3960(10)
_cell_angle_beta                 106.0090(10)
_cell_angle_gamma                116.3480(10)
_cell_formula_units_Z            2
_cell_length_a                   11.8160(14)
_cell_length_b                   12.1181(14)
_cell_length_c                   13.2915(15)
_cell_measurement_reflns_used    10784
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      2.41
_cell_measurement_theta_min      27.28
_cell_volume                     1620.7(3)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  CCD
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0544
_diffrn_reflns_av_unetI/netI     0.0486
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11745
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.012
_diffrn_reflns_theta_max         25.012
_diffrn_reflns_theta_min         1.897
_exptl_absorpt_coefficient_mu    2.397
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_description       block
_exptl_crystal_F_000             790
_refine_diff_density_max         1.436
_refine_diff_density_min         -0.626
_refine_diff_density_rms         0.106
_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     411
_refine_ls_number_reflns         5650
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.150
_refine_ls_R_factor_all          0.0387
_refine_ls_R_factor_gt           0.0349
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0623P)²+0.7350P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0936
_refine_ls_wR_factor_ref         0.0977
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5149
_reflns_number_total             5650
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4ce00436a2.cif
_cod_data_source_block           dy
_cod_depositor_comments
'Adding full bibliography for 7249087--7249094.cif.'
_cod_database_code               7249089
_shelx_shelxl_version_number     2014/7
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0.62114(2) 0.34884(2) 0.25747(2) 0.04189(10) Uani 1 1 d . . . . .
O5 O 0.5345(3) 0.4807(3) 0.2884(3) 0.0562(8) Uani 1 1 d . . . . .
O3 O 0.8100(3) 0.3567(3) 0.2219(2) 0.0498(7) Uani 1 1 d . . . . .
N2 N 0.7209(3) 0.3269(3) 0.4460(3) 0.0434(8) Uani 1 1 d . . . . .
C22 C 0.8224(4) 0.4249(4) 0.5176(3) 0.0383(8) Uani 1 1 d . . . . .
O1 O 0.5872(3) 0.1445(3) 0.2349(3) 0.0578(8) Uani 1 1 d . . . . .
N1 N 0.8068(3) 0.5483(3) 0.3778(3) 0.0441(8) Uani 1 1 d . . . . .
C19 C 0.8690(4) 0.5476(4) 0.4798(3) 0.0384(8) Uani 1 1 d . . . . .
C21 C 0.8755(4) 0.4101(4) 0.6193(3) 0.0481(10) Uani 1 1 d . . . . .
H21 H 0.9470 0.4781 0.6661 0.058 Uiso 1 1 calc R U . . .
O6 O 0.4431(3) 0.2367(3) 0.3205(3) 0.0601(8) Uani 1 1 d . . . . .
C12 C 0.8297(4) 0.3622(4) 0.1329(3) 0.0492(10) Uani 1 1 d . . . . .
C20 C 0.9661(4) 0.6569(4) 0.5454(3) 0.0456(9) Uani 1 1 d . . . . .
H20 H 1.0068 0.6534 0.6152 0.055 Uiso 1 1 calc R U . . .
O4 O 0.6668(4) 0.4789(4) 0.1296(3) 0.0650(9) Uani 1 1 d . . . . .
O2 O 0.4431(4) 0.2477(4) 0.1023(3) 0.0831(12) Uani 1 1 d . . . . .
F8 F 0.9198(5) 0.2836(6) 0.0266(3) 0.1252(17) Uani 1 1 d . . . . .
C23 C 0.8238(5) 0.2950(5) 0.6532(4) 0.0540(11) Uani 1 1 d . . . . .
C16 C 1.0040(5) 0.7707(4) 0.5103(4) 0.0532(11) Uani 1 1 d . . . . .
C17 C 0.6731(5) 0.2171(4) 0.4788(4) 0.0515(10) Uani 1 1 d . . . . .
H17 H 0.6039 0.1493 0.4303 0.062 Uiso 1 1 calc R U . . .
C18 C 0.7200(5) 0.1975(5) 0.5810(4) 0.0592(12) Uani 1 1 d . . . . .
H18 H 0.6813 0.1189 0.6004 0.071 Uiso 1 1 calc R U . . .
C9 C 0.4445(5) 0.4762(5) 0.3232(4) 0.0598(12) Uani 1 1 d . . . . .
C1A C 0.8426(5) 0.6584(5) 0.3435(4) 0.0579(11) Uani 1 1 d . . . . .
H1A H 0.8000 0.6604 0.2739 0.069 Uiso 1 1 calc R U . . .
C13 C 0.7823(5) 0.4110(6) 0.0484(4) 0.0656(14) Uani 1 1 d . . . . .
H13 H 0.8021 0.4042 -0.0137 0.079 Uiso 1 1 calc R U . . .
C11 C 0.9240(6) 0.3120(6) 0.1225(4) 0.0644(13) Uani 1 1 d . . . . .
C1D C 0.9393(5) 0.7691(5) 0.4059(4) 0.0626(12) Uani 1 1 d . . . . .
H1D H 0.9612 0.8432 0.3777 0.075 Uiso 1 1 calc R U . . .
C4 C 0.4972(6) 0.0474(5) 0.1762(4) 0.0682(14) Uani 1 1 d . . . . .
C14 C 0.7053(5) 0.4707(6) 0.0518(4) 0.0635(13) Uani 1 1 d . . . . .
C7 C 0.3602(6) 0.2585(6) 0.3451(6) 0.0738(16) Uani 1 1 d . . . . .
C1H C 1.1100(6) 0.8889(5) 0.5818(5) 0.0762(16) Uani 1 1 d . . . . .
H1HA H 1.0748 0.9117 0.6307 0.114 Uiso 1 1 calc R U . . .
H1HB H 1.1389 0.9542 0.5401 0.114 Uiso 1 1 calc R U . . .
H1HC H 1.1839 0.8763 0.6202 0.114 Uiso 1 1 calc R U . . .
C1I C 0.8796(7) 0.2792(6) 0.7653(4) 0.0795(17) Uani 1 1 d . . . . .
H1IA H 0.9748 0.3192 0.7852 0.119 Uiso 1 1 calc R U . . .
H1IB H 0.8471 0.1921 0.7703 0.119 Uiso 1 1 calc R U . . .
H1IC H 0.8524 0.3162 0.8119 0.119 Uiso 1 1 calc R U . . .
C3 C 0.3884(8) 0.0354(7) 0.0943(6) 0.100(2) Uani 1 1 d . . . . .
H3 H 0.3264 -0.0437 0.0580 0.120 Uiso 1 1 calc R U . . .
F7 F 0.8974(8) 0.2064(6) 0.1612(6) 0.169(3) Uani 1 1 d . . . . .
C8 C 0.3561(7) 0.3713(6) 0.3499(7) 0.092(2) Uani 1 1 d . . . . .
H8 H 0.2900 0.3755 0.3723 0.111 Uiso 1 1 calc R U . . .
F9 F 1.0462(4) 0.3831(6) 0.1777(4) 0.144(2) Uani 1 1 d . . . . .
C10 C 0.4379(9) 0.5976(7) 0.3386(7) 0.102(2) Uani 1 1 d . . . . .
H10A H 0.5175 0.6659 0.3331 0.153 Uiso 1 1 calc R U . . .
H10B H 0.4297 0.6094 0.4072 0.153 Uiso 1 1 calc R U . . .
H10C H 0.3623 0.5942 0.2850 0.153 Uiso 1 1 calc R U . . .
F4 F 0.5220(8) -0.0819(6) 0.3027(6) 0.170(3) Uani 1 1 d . . . . .
C5 C 0.5088(8) -0.0672(6) 0.2003(7) 0.092(2) Uani 1 1 d . . . . .
C2 C 0.3673(7) 0.1364(8) 0.0636(6) 0.098(2) Uani 1 1 d . . . . .
C15 C 0.6656(9) 0.5299(10) -0.0409(6) 0.120(3) Uani 1 1 d . . . . .
H15A H 0.5760 0.4751 -0.0835 0.180 Uiso 1 1 calc R U . . .
H15B H 0.7242 0.5454 -0.0827 0.180 Uiso 1 1 calc R U . . .
H15C H 0.6710 0.6072 -0.0160 0.180 Uiso 1 1 calc R U . . .
F5 F 0.4207(8) -0.1705(5) 0.1444(7) 0.223(4) Uani 1 1 d . . . . .
F3 F 0.2049(8) 0.0530(7) 0.3151(8) 0.205(3) Uani 1 1 d . U . . .
C6 C 0.2561(10) 0.1503(9) 0.3714(10) 0.118(3) Uani 1 1 d . U . . .
F2 F 0.1867(8) 0.1674(7) 0.4181(9) 0.238(4) Uani 1 1 d . U . . .
C1 C 0.2379(11) 0.1152(12) -0.0266(9) 0.191(7) Uani 1 1 d . . . . .
H1B H 0.1856 0.1405 0.0023 0.286 Uiso 1 1 calc R U . . .
H1C H 0.1870 0.0286 -0.0561 0.286 Uiso 1 1 calc R U . . .
H1E H 0.2621 0.1636 -0.0811 0.286 Uiso 1 1 calc R U . . .
F6 F 0.6284(7) -0.0553(5) 0.1997(6) 0.167(2) Uani 1 1 d . . . . .
F1 F 0.3206(10) 0.1040(8) 0.4534(8) 0.208(4) Uani 1 1 d . U . . .
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'
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O6 75.79(12) . . ?
O1 Dy1 O5 146.63(12) . . ?
O6 Dy1 O5 72.07(11) . . ?
O1 Dy1 O4 122.27(13) . . ?
O6 Dy1 O4 137.96(12) . . ?
O5 Dy1 O4 78.65(12) . . ?
O1 Dy1 O2 73.71(14) . . ?
O6 Dy1 O2 76.98(15) . . ?
O5 Dy1 O2 90.37(14) . . ?
O4 Dy1 O2 73.67(15) . . ?
O1 Dy1 O3 73.08(11) . . ?
O6 Dy1 O3 146.17(11) . . ?
O5 Dy1 O3 140.25(11) . . ?
O4 Dy1 O3 72.13(11) . . ?
O2 Dy1 O3 106.17(14) . . ?
O1 Dy1 N2 79.26(11) . . ?
O6 Dy1 N2 73.74(12) . . ?
O5 Dy1 N2 99.86(11) . . ?
O4 Dy1 N2 142.01(12) . . ?
O2 Dy1 N2 144.07(14) . . ?
O3 Dy1 N2 87.67(10) . . ?
O1 Dy1 N1 133.78(11) . . ?
O6 Dy1 N1 115.45(11) . . ?
O5 Dy1 N1 70.43(11) . . ?
O4 Dy1 N1 80.73(12) . . ?
O2 Dy1 N1 150.65(14) . . ?
O3 Dy1 N1 78.64(11) . . ?
N2 Dy1 N1 63.60(11) . . ?
C9 O5 Dy1 137.9(3) . . ?
C12 O3 Dy1 126.2(3) . . ?
C17 N2 C22 117.4(4) . . ?
C17 N2 Dy1 120.1(3) . . ?
C22 N2 Dy1 122.5(3) . . ?
N2 C22 C21 121.3(4) . . ?
N2 C22 C19 116.0(3) . . ?
C21 C22 C19 122.7(4) . . ?
C4 O1 Dy1 133.9(4) . . ?
C1A N1 C19 117.4(4) . . ?
C1A N1 Dy1 121.0(3) . . ?
C19 N1 Dy1 121.6(3) . . ?
N1 C19 C20 121.1(4) . . ?
N1 C19 C22 116.3(3) . . ?
C20 C19 C22 122.5(4) . . ?
C22 C21 C23 120.9(4) . . ?
C22 C21 H21 119.6 . . ?
C23 C21 H21 119.6 . . ?
C7 O6 Dy1 135.2(3) . . ?
O3 C12 C13 128.8(5) . . ?
O3 C12 C11 113.9(4) . . ?
C13 C12 C11 117.2(4) . . ?
C16 C20 C19 121.8(4) . . ?
C16 C20 H20 119.1 . . ?
C19 C20 H20 119.1 . . ?
C14 O4 Dy1 131.0(4) . . ?
C2 O2 Dy1 134.0(5) . . ?
C18 C23 C21 117.4(4) . . ?
C18 C23 C1I 121.7(5) . . ?
C21 C23 C1I 121.0(5) . . ?
C20 C16 C1D 116.1(4) . . ?
C20 C16 C1H 121.5(5) . . ?
C1D C16 C1H 122.4(5) . . ?
N2 C17 C18 123.8(4) . . ?
N2 C17 H17 118.1 . . ?
C18 C17 H17 118.1 . . ?
C23 C18 C17 119.3(4) . . ?
C23 C18 H18 120.4 . . ?
C17 C18 H18 120.4 . . ?
O5 C9 C8 124.2(5) . . ?
O5 C9 C10 116.7(5) . . ?
C8 C9 C10 119.1(5) . . ?
N1 C1A C1D 123.4(5) . . ?
N1 C1A H1A 118.3 . . ?
C1D C1A H1A 118.3 . . ?
C12 C13 C14 122.7(4) . . ?
C12 C13 H13 118.7 . . ?
C14 C13 H13 118.7 . . ?
F9 C11 F8 108.6(5) . . ?
F9 C11 F7 102.8(6) . . ?
F8 C11 F7 103.1(5) . . ?
F9 C11 C12 113.4(4) . . ?
F8 C11 C12 116.1(5) . . ?
F7 C11 C12 111.5(5) . . ?
C1A C1D C16 120.2(5) . . ?
C1A C1D H1D 119.9 . . ?
C16 C1D H1D 119.9 . . ?
O1 C4 C3 127.2(6) . . ?
O1 C4 C5 114.8(6) . . ?
C3 C4 C5 117.9(6) . . ?
O4 C14 C13 123.8(4) . . ?
O4 C14 C15 116.7(6) . . ?
C13 C14 C15 119.5(5) . . ?
O6 C7 C8 127.3(5) . . ?
O6 C7 C6 114.4(6) . . ?
C8 C7 C6 118.3(6) . . ?
C16 C1H H1HA 109.5 . . ?
C16 C1H H1HB 109.5 . . ?
H1HA C1H H1HB 109.5 . . ?
C16 C1H H1HC 109.5 . . ?
H1HA C1H H1HC 109.5 . . ?
H1HB C1H H1HC 109.5 . . ?
C23 C1I H1IA 109.5 . . ?
C23 C1I H1IB 109.5 . . ?
H1IA C1I H1IB 109.5 . . ?
C23 C1I H1IC 109.5 . . ?
H1IA C1I H1IC 109.5 . . ?
H1IB C1I H1IC 109.5 . . ?
C4 C3 C2 123.2(6) . . ?
C4 C3 H3 118.4 . . ?
C2 C3 H3 118.4 . . ?
C9 C8 C7 123.1(5) . . ?
C9 C8 H8 118.4 . . ?
C7 C8 H8 118.4 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
F5 C5 F4 107.5(8) . . ?
F5 C5 F6 107.1(7) . . ?
F4 C5 F6 97.7(7) . . ?
F5 C5 C4 118.8(8) . . ?
F4 C5 C4 112.3(6) . . ?
F6 C5 C4 111.1(6) . . ?
O2 C2 C3 125.8(6) . . ?
O2 C2 C1 113.8(8) . . ?
C3 C2 C1 120.5(7) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
F3 C6 F2 116.0(10) . . ?
F3 C6 F1 90.7(9) . . ?
F2 C6 F1 97.2(10) . . ?
F3 C6 C7 118.3(9) . . ?
F2 C6 C7 119.1(8) . . ?
F1 C6 C7 107.4(8) . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1E 109.5 . . ?
H1B C1 H1E 109.5 . . ?
H1C C1 H1E 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.329(3) . ?
Dy1 O6 2.330(3) . ?
Dy1 O5 2.334(3) . ?
Dy1 O4 2.335(3) . ?
Dy1 O2 2.337(4) . ?
Dy1 O3 2.368(3) . ?
Dy1 N2 2.530(3) . ?
Dy1 N1 2.553(3) . ?
O5 C9 1.251(6) . ?
O3 C12 1.264(5) . ?
N2 C17 1.325(6) . ?
N2 C22 1.358(5) . ?
C22 C21 1.375(6) . ?
C22 C19 1.484(6) . ?
O1 C4 1.242(6) . ?
N1 C1A 1.334(6) . ?
N1 C19 1.354(5) . ?
C19 C20 1.383(6) . ?
C21 C23 1.387(7) . ?
C21 H21 0.9300 . ?
O6 C7 1.241(6) . ?
C12 C13 1.372(7) . ?
C12 C11 1.522(7) . ?
C20 C16 1.377(7) . ?
C20 H20 0.9300 . ?
O4 C14 1.258(6) . ?
O2 C2 1.245(8) . ?
F8 C11 1.300(6) . ?
C23 C18 1.367(7) . ?
C23 C1I 1.506(7) . ?
C16 C1D 1.383(7) . ?
C16 C1H 1.502(7) . ?
C17 C18 1.384(7) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C9 C8 1.366(8) . ?
C9 C10 1.523(8) . ?
C1A C1D 1.377(7) . ?
C1A H1A 0.9300 . ?
C13 C14 1.399(8) . ?
C13 H13 0.9300 . ?
C11 F9 1.292(7) . ?
C11 F7 1.320(8) . ?
C1D H1D 0.9300 . ?
C4 C3 1.385(10) . ?
C4 C5 1.484(10) . ?
C14 C15 1.500(8) . ?
C7 C8 1.391(9) . ?
C7 C6 1.472(11) . ?
C1H H1HA 0.9600 . ?
C1H H1HB 0.9600 . ?
C1H H1HC 0.9600 . ?
C1I H1IA 0.9600 . ?
C1I H1IB 0.9600 . ?
C1I H1IC 0.9600 . ?
C3 C2 1.395(11) . ?
C3 H3 0.9300 . ?
C8 H8 0.9300 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
F4 C5 1.348(10) . ?
C5 F5 1.268(8) . ?
C5 F6 1.358(10) . ?
C2 C1 1.574(10) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
F3 C6 1.192(11) . ?
C6 F2 1.237(10) . ?
C6 F1 1.419(13) . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 H1E 0.9600 . ?
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
C17 N2 C22 C21 1.6(6) . . . . ?
Dy1 N2 C22 C21 -179.4(3) . . . . ?
C17 N2 C22 C19 -177.0(4) . . . . ?
Dy1 N2 C22 C19 2.0(4) . . . . ?
C1A N1 C19 C20 -0.2(6) . . . . ?
Dy1 N1 C19 C20 -177.6(3) . . . . ?
C1A N1 C19 C22 176.9(4) . . . . ?
Dy1 N1 C19 C22 -0.5(5) . . . . ?
N2 C22 C19 N1 -0.9(5) . . . . ?
C21 C22 C19 N1 -179.5(4) . . . . ?
N2 C22 C19 C20 176.1(4) . . . . ?
C21 C22 C19 C20 -2.5(6) . . . . ?
N2 C22 C21 C23 -2.3(6) . . . . ?
C19 C22 C21 C23 176.2(4) . . . . ?
Dy1 O3 C12 C13 27.6(7) . . . . ?
Dy1 O3 C12 C11 -155.3(3) . . . . ?
N1 C19 C20 C16 -0.2(6) . . . . ?
C22 C19 C20 C16 -177.1(4) . . . . ?
C22 C21 C23 C18 1.0(7) . . . . ?
C22 C21 C23 C1I -178.5(5) . . . . ?
C19 C20 C16 C1D 0.1(6) . . . . ?
C19 C20 C16 C1H -179.7(5) . . . . ?
C22 N2 C17 C18 0.4(7) . . . . ?
Dy1 N2 C17 C18 -178.6(4) . . . . ?
C21 C23 C18 C17 0.9(7) . . . . ?
C1I C23 C18 C17 -179.6(5) . . . . ?
N2 C17 C18 C23 -1.6(8) . . . . ?
Dy1 O5 C9 C8 -4.8(9) . . . . ?
Dy1 O5 C9 C10 173.6(4) . . . . ?
C19 N1 C1A C1D 0.7(7) . . . . ?
Dy1 N1 C1A C1D 178.1(4) . . . . ?
O3 C12 C13 C14 3.3(9) . . . . ?
C11 C12 C13 C14 -173.8(5) . . . . ?
O3 C12 C11 F9 -71.4(7) . . . . ?
C13 C12 C11 F9 106.1(6) . . . . ?
O3 C12 C11 F8 161.8(5) . . . . ?
C13 C12 C11 F8 -20.7(7) . . . . ?
O3 C12 C11 F7 44.1(7) . . . . ?
C13 C12 C11 F7 -138.4(6) . . . . ?
N1 C1A C1D C16 -0.8(8) . . . . ?
C20 C16 C1D C1A 0.4(7) . . . . ?
C1H C16 C1D C1A -179.8(5) . . . . ?
Dy1 O1 C4 C3 6.9(10) . . . . ?
Dy1 O1 C4 C5 -171.5(5) . . . . ?
Dy1 O4 C14 C13 -28.4(8) . . . . ?
Dy1 O4 C14 C15 152.0(5) . . . . ?
C12 C13 C14 O4 -4.1(9) . . . . ?
C12 C13 C14 C15 175.5(6) . . . . ?
Dy1 O6 C7 C8 -5.9(12) . . . . ?
Dy1 O6 C7 C6 174.0(6) . . . . ?
O1 C4 C3 C2 2.2(14) . . . . ?
C5 C4 C3 C2 -179.4(9) . . . . ?
O5 C9 C8 C7 2.7(12) . . . . ?
C10 C9 C8 C7 -175.7(7) . . . . ?
O6 C7 C8 C9 2.5(14) . . . . ?
C6 C7 C8 C9 -177.4(8) . . . . ?
O1 C4 C5 F5 179.8(8) . . . . ?
C3 C4 C5 F5 1.2(13) . . . . ?
O1 C4 C5 F4 53.1(9) . . . . ?
C3 C4 C5 F4 -125.5(8) . . . . ?
O1 C4 C5 F6 -55.3(9) . . . . ?
C3 C4 C5 F6 126.2(8) . . . . ?
Dy1 O2 C2 C3 -15.9(14) . . . . ?
Dy1 O2 C2 C1 163.5(7) . . . . ?
C4 C3 C2 O2 2.3(16) . . . . ?
C4 C3 C2 C1 -177.1(9) . . . . ?
O6 C7 C6 F3 -45.0(14) . . . . ?
C8 C7 C6 F3 135.0(11) . . . . ?
O6 C7 C6 F2 164.6(10) . . . . ?
C8 C7 C6 F2 -15.5(16) . . . . ?
O6 C7 C6 F1 55.6(11) . . . . ?
C8 C7 C6 F1 -124.5(9) . . . . ?
