#------------------------------------------------------------------------------
#$Date: 2019-11-07 21:26:15 +0200 (Thu, 07 Nov 2019) $
#$Revision: 223509 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/44/7234438.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_7234438
loop_
_publ_author_name
'Wang, Juan'
'Yang, Mingfang'
'Sun, Juan'
'Li, Hui'
'Liu, Jinjin'
'Wang, Qinglun'
'Li, Licun'
'Ma, Yue'
'Zhao, Bin'
'Cheng, Peng'
_publ_section_title
;
 Enhancing the energy barrier of dysprosium(iii) single-molecule magnets
 by tuning the magnetic interactions through different N-oxide bridging
 ligands
;
_journal_issue                   41
_journal_name_full               CrystEngComm
_journal_page_first              6219
_journal_paper_doi               10.1039/C9CE01378D
_journal_volume                  21
_journal_year                    2019
_chemical_formula_moiety         'C25 H11 Dy F18 N2 O8'
_chemical_formula_sum            'C25 H11 Dy F18 N2 O8'
_chemical_formula_weight         971.86
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-03-05 deposited with the CCDC.    2019-09-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 122.37(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   24.222(6)
_cell_length_b                   16.502(7)
_cell_length_c                   19.343(8)
_cell_measurement_reflns_used    9116
_cell_measurement_temperature    133.15
_cell_measurement_theta_max      27.8824
_cell_measurement_theta_min      2.4638
_cell_volume                     6530(4)
_computing_cell_refinement
;
CrystalClear-SM Expert 2.1 b42 (Rigaku, 2015)
;
_computing_data_collection
;
CrystalClear-SM Expert 2.1 b42 (Rigaku, 2015)
;
_computing_data_reduction
;
CrystalClear-SM Expert 2.1 b42 (Rigaku, 2015)
;
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      133.15
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku Pilatus 200K'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0737
_diffrn_reflns_av_unetI/netI     0.0626
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            27222
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.323
_exptl_absorpt_coefficient_mu    2.440
_exptl_absorpt_correction_T_max  0.783
_exptl_absorpt_correction_T_min  0.651
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.977
_exptl_crystal_description       block
_exptl_crystal_F_000             3736
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.691
_refine_diff_density_min         -1.840
_refine_diff_density_rms         0.222
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     573
_refine_ls_number_reflns         5764
_refine_ls_number_restraints     532
_refine_ls_restrained_S_all      1.173
_refine_ls_R_factor_all          0.0963
_refine_ls_R_factor_gt           0.0557
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1092P)²+26.2655P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1444
_refine_ls_wR_factor_ref         0.1835
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4240
_reflns_number_total             5764
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9ce01378d2.cif
_cod_data_source_block           shelxl_CCDC2
_cod_depositor_comments
'Adding full bibliography for 7234434--7234439.cif.'
_cod_database_code               7234438
_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+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'
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
Dy1 Dy 0.79832(2) 0.04763(2) 0.09965(2) 0.03918(6) Uani 1 1 d . U .
F1 F 0.9213(3) 0.2736(4) 0.3145(3) 0.233(2) Uani 1 1 d . U .
F2 F 0.8596(2) 0.2634(3) 0.3438(2) 0.1615(9) Uani 1 1 d . U .
F3 F 0.9240(4) 0.1748(3) 0.3677(3) 0.270(2) Uani 1 1 d . U .
F4 F 0.6172(2) 0.2630(3) 0.1031(3) 0.1691(11) Uani 1 1 d . U .
F5 F 0.5917(2) 0.1431(4) 0.0766(4) 0.2180(14) Uani 1 1 d . U .
F6 F 0.5848(2) 0.2194(4) -0.0007(3) 0.1890(19) Uani 1 1 d . U .
F7 F 0.7452(3) 0.0323(3) 0.2821(2) 0.1923(15) Uani 1 1 d . U .
F8 F 0.7519(3) -0.0892(3) 0.2843(2) 0.1569(16) Uani 1 1 d . U .
F9 F 0.6526(2) -0.0368(5) 0.2166(2) 0.187(3) Uani 1 1 d . U .
F10 F 0.5888(2) -0.1200(3) -0.1056(2) 0.1479(10) Uani 1 1 d . U .
F11 F 0.54720(19) -0.1454(3) -0.0491(2) 0.1609(9) Uani 1 1 d . U .
F12 F 0.5301(2) -0.0330(3) -0.1016(3) 0.1386(17) Uani 1 1 d . U .
F13 F 0.9716(3) -0.1645(3) 0.3072(2) 0.1546(15) Uani 1 1 d . U .
F14 F 0.8682(3) -0.1857(4) 0.2653(2) 0.2477(18) Uani 1 1 d . U .
F15 F 0.9145(3) -0.2632(2) 0.2317(2) 0.169(2) Uani 1 1 d . U .
F16 F 0.8010(2) -0.2388(2) -0.0452(2) 0.1526(18) Uani 1 1 d . . .
F17 F 0.8426(2) -0.1335(3) -0.0612(2) 0.1989(12) Uani 1 1 d . U .
F18 F 0.7340(3) -0.1405(3) -0.1127(2) 0.1446(15) Uani 1 1 d . U .
O1 O 0.90258(12) 0.09326(19) 0.12651(15) 0.0484(8) Uani 1 1 d . . .
O2 O 0.85184(13) 0.1422(2) 0.20594(15) 0.0562(6) Uani 1 1 d . U .
O3 O 0.70478(13) 0.1333(2) 0.06873(16) 0.0603(7) Uani 1 1 d . U .
O4 O 0.76802(14) 0.0035(2) 0.18056(15) 0.0607(7) Uani 1 1 d . U .
O5 O 0.69112(13) -0.0289(2) 0.01449(16) 0.0546(6) Uani 1 1 d . U .
O6 O 0.87445(16) -0.06015(19) 0.18559(17) 0.0587(9) Uani 1 1 d . U .
O7 O 0.80771(15) -0.04604(17) 0.02196(17) 0.0534(9) Uani 1 1 d . . .
O8 O 0.75557(11) 0.12613(19) -0.01599(14) 0.0458(8) Uani 1 1 d . . .
N1 N 0.92908(14) 0.0659(2) 0.09070(18) 0.0404(8) Uani 1 1 d . U .
C1 C 0.8933(2) 0.0804(3) 0.0127(3) 0.0607(8) Uani 1 1 d . U .
H1 H 0.8527 0.1055 -0.0131 0.073 Uiso 1 1 calc R U .
C2 C 0.9191(2) 0.0576(3) -0.0219(2) 0.0622(8) Uani 1 1 d . U .
H2 H 0.8975 0.0672 -0.0779 0.075 Uiso 1 1 calc R U .
C3 C 0.98485(17) 0.0139(3) 0.0188(2) 0.0470(9) Uani 1 1 d . U .
C4 C 1.01885(19) 0.0035(3) 0.1044(2) 0.0631(8) Uani 1 1 d . U .
H4 H 1.0599 -0.0206 0.1340 0.076 Uiso 1 1 calc DR U .
C5 C 0.9916(2) 0.0274(3) 0.1358(3) 0.0610(7) Uani 1 1 d . U .
H5 H 1.0115 0.0210 0.1920 0.073 Uiso 1 1 calc R U .
C6 C 0.8857(3) 0.2236(4) 0.3155(3) 0.0805(7) Uani 1 1 d . U .
C7 C 0.8271(2) 0.1858(3) 0.2301(2) 0.0662(7) Uani 1 1 d . U .
C8 C 0.7558(2) 0.2055(4) 0.1902(3) 0.0743(13) Uani 1 1 d . U .
H8 H 0.7455 0.2411 0.2190 0.089 Uiso 1 1 calc R U .
C9 C 0.7012(2) 0.1766(4) 0.1135(3) 0.0688(12) Uani 1 1 d . U .
C10 C 0.6252(3) 0.1993(5) 0.0758(4) 0.0984(7) Uani 1 1 d . U .
C11 C 0.7141(3) -0.0279(4) 0.2362(3) 0.0873(4) Uani 1 1 d . U .
C12 C 0.7128(2) -0.0251(4) 0.1633(3) 0.0651(7) Uani 1 1 d . U .
C13 C 0.6517(3) -0.0557(3) 0.0887(3) 0.0703(9) Uani 1 1 d . U .
H13 H 0.6171 -0.0742 0.0924 0.084 Uiso 1 1 calc R U .
C14 C 0.6477(2) -0.0561(3) 0.0214(3) 0.0612(7) Uani 1 1 d . U .
C15 C 0.5778(3) -0.0892(4) -0.0583(3) 0.0764(5) Uani 1 1 d . U .
C16 C 0.9086(4) -0.1885(4) 0.2455(4) 0.1032(5) Uani 1 1 d . U .
C17 C 0.8753(3) -0.1338(3) 0.1715(3) 0.0785(12) Uani 1 1 d . U .
C18 C 0.8483(3) -0.1670(4) 0.0973(3) 0.0835(12) Uani 1 1 d . U .
H18 H 0.8483 -0.2231 0.0922 0.100 Uiso 1 1 calc R U .
C19 C 0.8207(3) -0.1196(3) 0.0287(3) 0.0764(10) Uani 1 1 d . U .
C20 C 0.8005(3) -0.1598(4) -0.0472(3) 0.0944(7) Uani 1 1 d . U .
N2 N 0.6860(3) 0.1187(3) -0.0832(3) 0.0303(17) Uani 0.5 1 d . . P
C21 C 0.6574(3) 0.0698(4) -0.1305(5) 0.0491(16) Uani 0.5 1 d D U P
C22 C 0.5774(4) 0.0658(4) -0.1955(4) 0.0485(16) Uani 0.5 1 d D U P
C23 C 0.5346(3) 0.1348(6) -0.2173(4) 0.0435(14) Uani 0.5 1 d D U P
C24 C 0.5747(3) 0.2029(4) -0.1646(5) 0.0448(15) Uani 0.5 1 d D U P
C25 C 0.6500(4) 0.1946(6) -0.0970(5) 0.0574(16) Uani 0.5 1 d . U P
C21A C 0.3506(2) 0.0589(3) -0.3697(4) 0.0348(16) Uani 0.5 1 d D U P
C22A C 0.4167(3) 0.0674(3) -0.3019(4) 0.0378(14) Uani 0.5 1 d D U P
C23A C 0.4584(2) 0.1365(5) -0.2844(4) 0.0347(13) Uani 0.5 1 d D U P
C24A C 0.4234(3) 0.2027(3) -0.3325(4) 0.0372(14) Uani 0.5 1 d D U P
C25A C 0.3518(3) 0.2028(3) -0.4001(4) 0.0336(15) Uani 0.5 1 d D U P
N2A N 0.3157(2) 0.1403(4) -0.4180(3) 0.0247(15) Uani 0.5 1 d . U P
H24A H 0.441(3) 0.257(4) -0.327(4) 0.034(4) Uiso 0.5 1 d . U P
H21 H 0.701(3) 0.024(6) -0.106(4) 0.055(4) Uiso 0.5 1 d . U P
H22 H 0.5552(13) 0.0216(5) -0.2290(9) 0.049(4) Uiso 0.5 1 d D U P
H25 H 0.690(3) 0.222(5) -0.044(4) 0.046(4) Uiso 0.5 1 d . U P
H24 H 0.5519(4) 0.2516(3) -0.176(2) 0.039(4) Uiso 0.5 1 d D U P
H22A H 0.4415(7) 0.0225(4) -0.2725(8) 0.045(4) Uiso 0.5 1 d D U P
H21A H 0.3203(3) 0.0170(3) -0.387(2) 0.043(6) Uiso 0.5 1 d D U P
H25A H 0.3324(9) 0.2520(3) -0.4249(8) 0.031(6) Uiso 0.5 1 d D U P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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 -0.1890 4.4100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0170 0.0100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 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
O4 Dy1 O7 116.32(13) . .
O4 Dy1 O8 137.59(11) . .
O7 Dy1 O8 83.75(11) . .
O4 Dy1 O2 80.39(12) . .
O7 Dy1 O2 146.85(11) . .
O8 Dy1 O2 103.18(11) . .
O4 Dy1 O1 131.80(9) . .
O7 Dy1 O1 83.67(11) . .
O8 Dy1 O1 84.71(9) . .
O2 Dy1 O1 65.11(11) . .
O4 Dy1 O3 75.28(12) . .
O7 Dy1 O3 129.96(10) . .
O8 Dy1 O3 64.03(11) . .
O2 Dy1 O3 80.50(10) . .
O1 Dy1 O3 126.56(11) . .
O4 Dy1 O6 72.05(13) . .
O7 Dy1 O6 69.35(11) . .
O8 Dy1 O6 148.27(12) . .
O2 Dy1 O6 91.51(10) . .
O1 Dy1 O6 76.13(12) . .
O3 Dy1 O6 147.22(12) . .
O4 Dy1 O5 71.31(10) . .
O7 Dy1 O5 70.11(12) . .
O8 Dy1 O5 82.97(10) . .
O2 Dy1 O5 142.39(11) . .
O1 Dy1 O5 152.03(10) . .
O3 Dy1 O5 68.87(11) . .
O6 Dy1 O5 102.41(11) . .
N1 O1 Dy1 123.7(2) . .
C7 O2 Dy1 126.4(3) . .
C9 O3 Dy1 126.9(3) . .
C12 O4 Dy1 129.9(3) . .
C14 O5 Dy1 139.1(3) . .
C17 O6 Dy1 130.6(3) . .
C19 O7 Dy1 135.3(3) . .
N2 O8 N2A 13.8(3) . 2_654
N2 O8 Dy1 121.0(3) . .
N2A O8 Dy1 128.5(3) 2_654 .
O1 N1 C1 110.8(3) . .
O1 N1 C5 120.7(3) . .
C1 N1 C5 128.4(4) . .
C2 C1 N1 111.7(4) . .
C2 C1 H1 124.2 . .
N1 C1 H1 124.2 . .
C1 C2 C3 125.0(4) . .
C1 C2 H2 117.5 . .
C3 C2 H2 117.5 . .
C3 C3 C4 116.3(4) 5_755 .
C3 C3 C2 126.6(4) 5_755 .
C4 C3 C2 117.1(4) . .
C5 C4 C3 115.3(4) . .
C5 C4 H4 122.3 . .
C3 C4 H4 122.3 . .
C4 C5 N1 122.4(4) . .
C4 C5 H5 118.8 . .
N1 C5 H5 118.8 . .
F1 C6 F2 100.7(6) . .
F1 C6 F3 103.3(6) . .
F2 C6 F3 109.0(6) . .
F1 C6 C7 119.6(5) . .
F2 C6 C7 106.3(5) . .
F3 C6 C7 116.5(5) . .
O2 C7 C8 128.1(4) . .
O2 C7 C6 106.5(4) . .
C8 C7 C6 125.4(5) . .
C9 C8 C7 128.7(5) . .
C9 C8 H8 115.7 . .
C7 C8 H8 115.7 . .
O3 C9 C8 125.3(5) . .
O3 C9 C10 109.1(4) . .
C8 C9 C10 125.6(5) . .
F5 C10 F4 112.3(7) . .
F5 C10 F6 96.0(5) . .
F4 C10 F6 94.2(6) . .
F5 C10 C9 114.5(6) . .
F4 C10 C9 113.9(5) . .
F6 C10 C9 123.4(6) . .
F7 C11 F9 115.9(7) . .
F7 C11 F8 100.1(4) . .
F9 C11 F8 110.9(6) . .
F7 C11 C12 111.3(6) . .
F9 C11 C12 107.4(4) . .
F8 C11 C12 111.1(6) . .
O4 C12 C11 107.0(4) . .
O4 C12 C13 137.0(5) . .
C11 C12 C13 116.0(5) . .
C14 C13 C12 119.4(5) . .
C14 C13 H13 120.3 . .
C12 C13 H13 120.3 . .
O5 C14 C13 121.4(4) . .
O5 C14 C15 122.2(5) . .
C13 C14 C15 116.2(5) . .
F10 C15 F11 100.7(6) . .
F10 C15 F12 106.4(5) . .
F11 C15 F12 102.6(5) . .
F10 C15 C14 108.5(5) . .
F11 C15 C14 119.9(5) . .
F12 C15 C14 117.1(5) . .
F14 C16 F15 107.3(7) . .
F14 C16 F13 114.2(6) . .
F15 C16 F13 104.9(6) . .
F14 C16 C17 99.3(6) . .
F15 C16 C17 116.1(5) . .
F13 C16 C17 115.1(6) . .
O6 C17 C18 125.3(5) . .
O6 C17 C16 116.0(4) . .
C18 C17 C16 118.6(5) . .
C17 C18 C19 120.8(5) . .
C17 C18 H18 119.6 . .
C19 C18 H18 119.6 . .
O7 C19 C18 128.7(5) . .
O7 C19 C20 114.6(4) . .
C18 C19 C20 116.7(5) . .
F17 C20 F16 110.7(6) . .
F17 C20 C19 100.8(5) . .
F16 C20 C19 116.0(5) . .
F17 C20 F18 112.4(5) . .
F16 C20 F18 103.5(5) . .
C19 C20 F18 113.7(6) . .
N2A N2 C21 135.3(13) 2_654 .
N2A N2 C21A 136.6(12) 2_654 2_654
C21 N2 C21A 9.3(7) . 2_654
N2A N2 C25 24.6(12) 2_654 .
C21 N2 C25 114.4(6) . .
C21A N2 C25 113.6(5) 2_654 .
N2A N2 O8 88.8(11) 2_654 .
C21 N2 O8 133.0(6) . .
C21A N2 O8 134.4(5) 2_654 .
C25 N2 O8 112.0(5) . .
N2A N2 C25A 23.4(12) 2_654 2_654
C21 N2 C25A 114.7(5) . 2_654
C21A N2 C25A 114.2(4) 2_654 2_654
C25 N2 C25A 2.2(6) . 2_654
O8 N2 C25A 111.4(4) . 2_654
C21A C21 N2 127(3) 2_654 .
C21A C21 N2A 129(3) 2_654 2_654
N2 C21 N2A 10.4(3) . 2_654
C21A C21 C22A 58.0(18) 2_654 2_654
N2 C21 C22A 128.8(6) . 2_654
N2A C21 C22A 119.4(5) 2_654 2_654
C21A C21 C22 54.1(17) 2_654 .
N2 C21 C22 127.0(7) . .
N2A C21 C22 118.2(5) 2_654 .
C22A C21 C22 5.3(5) 2_654 .
C21A C21 H21 94(5) 2_654 .
N2 C21 H21 96(4) . .
N2A C21 H21 106(4) 2_654 .
C22A C21 H21 135(4) 2_654 .
C22 C21 H21 136(4) . .
C22A C22 C23A 106(3) 2_654 2_654
C22A C22 C23 111(3) 2_654 .
C23A C22 C23 5.8(5) 2_654 .
C22A C22 C21A 60(3) 2_654 2_654
C23A C22 C21A 124.6(5) 2_654 2_654
C23 C22 C21A 129.0(5) . 2_654
C22A C22 C21 54(3) 2_654 .
C23A C22 C21 119.0(5) 2_654 .
C23 C22 C21 123.9(5) . .
C21A C22 C21 8.2(4) 2_654 .
C22A C22 H22 100(4) 2_654 .
C23A C22 H22 115.1(14) 2_654 .
C23 C22 H22 111.0(15) . .
C21A C22 H22 119.9(16) 2_654 .
C21 C22 H22 124.4(18) . .
C23A C23 C22 63(5) 2_654 .
C23A C23 C23 142(5) 2_654 2_654
C22 C23 C23 124.3(4) . 2_654
C23A C23 C24A 56(5) 2_654 2_654
C22 C23 C24A 105.8(5) . 2_654
C23 C23 C24A 129.5(4) 2_654 2_654
C23A C23 C24 59(5) 2_654 .
C22 C23 C24 107.1(5) . .
C23 C23 C24 128.5(4) 2_654 .
C24A C23 C24 3.4(6) 2_654 .
C23A C23 C22A 58(5) 2_654 2_654
C22 C23 C22A 6.3(6) . 2_654
C23 C23 C22A 126.4(5) 2_654 2_654
C24A C23 C22A 102.9(4) 2_654 2_654
C24 C23 C22A 104.5(4) . 2_654
C23A C23 C23A 145(5) 2_654 .
C22 C23 C23A 126.2(7) . .
C23 C23 C23A 3.5(6) 2_654 .
C24A C23 C23A 127.9(7) 2_654 .
C24 C23 C23A 126.6(7) . .
C22A C23 C23A 128.6(7) 2_654 .
C24A C24 C23A 79(6) 2_654 2_654
C24A C24 C23 84(6) 2_654 .
C23A C24 C23 5.5(5) 2_654 .
C24A C24 C25A 76(6) 2_654 2_654
C23A C24 C25A 123.4(5) 2_654 2_654
C23 C24 C25A 127.5(5) . 2_654
C24A C24 C25 76(6) 2_654 .
C23A C24 C25 119.1(6) 2_654 .
C23 C24 C25 123.1(6) . .
C25A C24 C25 5.0(5) 2_654 .
C24A C24 H24 110(6) 2_654 .
C23A C24 H24 117.6(12) 2_654 .
C23 C24 H24 113.8(11) . .
C25A C24 H24 118.5(9) 2_654 .
C25 C24 H24 123.1(11) . .
C25A C25 N2A 149(7) 2_654 2_654
C25A C25 N2 154(7) 2_654 .
N2A C25 N2 7.5(4) 2_654 .
C25A C25 C24A 67(4) 2_654 2_654
N2A C25 C24A 128.2(8) 2_654 2_654
N2 C25 C24A 121.3(7) . 2_654
C25A C25 C24 68(4) 2_654 .
N2A C25 C24 129.4(8) 2_654 .
N2 C25 C24 122.3(7) . .
C24A C25 C24 3.1(6) 2_654 .
C25A C25 H25 84(6) 2_654 .
N2A C25 H25 86(4) 2_654 .
N2 C25 H25 93(4) . .
C24A C25 H25 145(4) 2_654 .
C24 C25 H25 144(5) . .
C21 C21A N2 44(3) 2_654 2_654
C21 C21A C22A 113(2) 2_654 .
N2 C21A C22A 124.8(5) 2_654 .
C21 C21A C22 118(2) 2_654 2_654
N2 C21A C22 124.8(5) 2_654 2_654
C22A C21A C22 6.2(6) . 2_654
C21 C21A N2A 44(3) 2_654 .
N2 C21A N2A 9.0(3) 2_654 .
C22A C21A N2A 115.8(4) . .
C22 C21A N2A 116.0(4) 2_654 .
C21 C21A H21A 94(2) 2_654 .
N2 C21A H21A 101.4(11) 2_654 .
C22A C21A H21A 133.0(15) . .
C22 C21A H21A 133.7(12) 2_654 .
N2A C21A H21A 110.2(10) . .
C22 C22A C21A 114(3) 2_654 .
C22 C22A C23A 67(3) 2_654 .
C21A C22A C23A 126.3(5) . .
C22 C22A C23 62(3) 2_654 2_654
C21A C22A C23 129.6(5) . 2_654
C23A C22A C23 5.3(5) . 2_654
C22 C22A C21 121(3) 2_654 2_654
C21A C22A C21 9.1(4) . 2_654
C23A C22A C21 121.8(5) . 2_654
C23 C22A C21 125.7(5) 2_654 2_654
C22 C22A H22A 72(3) 2_654 .
C21A C22A H22A 121.4(8) . .
C23A C22A H22A 110.1(10) . .
C23 C22A H22A 105.7(10) 2_654 .
C21 C22A H22A 127.6(9) 2_654 .
C23 C23A C22 111(5) 2_654 2_654
C23 C23A C24A 119(5) 2_654 .
C22 C23A C24A 114.2(5) 2_654 .
C23 C23A C24 116(5) 2_654 2_654
C22 C23A C24 115.2(5) 2_654 2_654
C24A C23A C24 3.5(6) . 2_654
C23 C23A C22A 117(5) 2_654 .
C22 C23A C22A 6.8(6) 2_654 .
C24A C23A C22A 111.4(4) . .
C24 C23A C22A 112.8(4) 2_654 .
C23 C23A C23 34(4) 2_654 .
C22 C23A C23 119.7(7) 2_654 .
C24A C23A C23 125.8(7) . .
C24 C23A C23 124.4(7) 2_654 .
C22A C23A C23 122.7(7) . .
C23 C23A C23A 32(4) 2_654 2_654
C22 C23A C23A 121.1(4) 2_654 2_654
C24A C23A C23A 124.0(4) . 2_654
C24 C23A C23A 122.4(5) 2_654 2_654
C22A C23A C23A 124.5(4) . 2_654
C23 C23A C23A 3.0(5) . 2_654
C24 C24A C23A 97(6) 2_654 .
C24 C24A C23 92(6) 2_654 2_654
C23A C24A C23 5.3(5) . 2_654
C24 C24A C25A 101(6) 2_654 .
C23A C24A C25A 125.8(5) . .
C23 C24A C25A 129.6(5) 2_654 .
C24 C24A C25 101(6) 2_654 2_654
C23A C24A C25 121.2(6) . 2_654
C23 C24A C25 124.8(6) 2_654 2_654
C25A C24A C25 5.0(5) . 2_654
C24 C24A H24A 72(8) 2_654 .
C23A C24A H24A 125(4) . .
C23 C24A H24A 122(4) 2_654 .
C25A C24A H24A 109(4) . .
C25 C24A H24A 113(4) 2_654 .
C25 C25A N2A 27(6) 2_654 .
C25 C25A C24A 108(4) 2_654 .
N2A C25A C24A 122.4(4) . .
C25 C25A C24 107(4) 2_654 2_654
N2A C25A C24 123.5(4) . 2_654
C24A C25A C24 3.2(6) . 2_654
C25 C25A N2 24(7) 2_654 2_654
N2A C25A N2 6.5(3) . 2_654
C24A C25A N2 116.2(4) . 2_654
C24 C25A N2 117.1(4) 2_654 2_654
C25 C25A H25A 131(4) 2_654 .
N2A C25A H25A 118.8(11) . .
C24A C25A H25A 118.3(10) . .
C24 C25A H25A 117.6(11) 2_654 .
N2 C25A H25A 125.2(11) 2_654 .
N2 N2A C25 147.8(16) 2_654 2_654
N2 N2A C25A 150.1(14) 2_654 .
C25 N2A C25A 3.3(8) 2_654 .
N2 N2A C21 34.3(10) 2_654 2_654
C25 N2A C21 117.4(6) 2_654 2_654
C25A N2A C21 118.7(4) . 2_654
N2 N2A O8 77.4(11) 2_654 2_654
C25 N2A O8 132.5(6) 2_654 2_654
C25A N2A O8 131.3(5) . 2_654
C21 N2A O8 110.0(5) 2_654 2_654
N2 N2A C21A 34.4(10) 2_654 .
C25 N2A C21A 115.1(6) 2_654 .
C25A N2A C21A 116.8(4) . .
C21 N2A C21A 7.5(6) 2_654 .
O8 N2A C21A 111.7(4) 2_654 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O4 2.179(3) .
Dy1 O7 2.250(3) .
Dy1 O8 2.296(3) .
Dy1 O2 2.343(3) .
Dy1 O1 2.410(3) .
Dy1 O3 2.458(3) .
Dy1 O6 2.458(3) .
Dy1 O5 2.544(3) .
F1 C6 1.200(8) .
F2 C6 1.226(8) .
F3 C6 1.235(7) .
F4 C10 1.238(8) .
F5 C10 1.237(9) .
F6 C10 1.307(7) .
F7 C11 1.274(8) .
F8 C11 1.348(8) .
F9 C11 1.335(8) .
F10 C15 1.194(8) .
F11 C15 1.258(8) .
F12 C15 1.364(7) .
F13 C16 1.399(8) .
F14 C16 1.228(11) .
F15 C16 1.284(8) .
F16 C20 1.304(7) .
F17 C20 1.264(9) .
F18 C20 1.455(7) .
O1 N1 1.254(5) .
O2 C7 1.181(6) .
O3 C9 1.161(6) .
O4 C12 1.282(6) .
O5 C14 1.215(7) .
O6 C17 1.248(6) .
O7 C19 1.243(6) .
O8 N2 1.483(5) .
O8 N2A 1.519(5) 2_654
N1 C1 1.299(5) .
N1 C5 1.428(5) .
C1 C2 1.194(7) .
C1 H1 0.9300 .
C2 C3 1.528(6) .
C2 H2 0.9300 .
C3 C3 1.360(9) 5_755
C3 C4 1.410(5) .
C4 C5 1.180(7) .
C4 H4 0.9300 .
C5 H5 0.9300 .
C6 C7 1.620(6) .
C7 C8 1.502(7) .
C8 C9 1.442(6) .
C8 H8 0.9300 .
C9 C10 1.619(8) .
C11 C12 1.396(8) .
C12 C13 1.496(6) .
C13 C14 1.253(8) .
C13 H13 0.9300 .
C14 C15 1.657(6) .
C16 C17 1.509(8) .
C17 C18 1.335(7) .
C18 C19 1.369(7) .
C18 H18 0.9300 .
C19 C20 1.437(8) .
N2 N2A 0.362(8) 2_654
N2 C21 1.136(8) .
N2 C21A 1.314(7) 2_654
N2 C25 1.467(12) .
N2 C25A 1.598(8) 2_654
C21 C21A 0.267(11) 2_654
C21 N2A 1.416(9) 2_654
C21 C22A 1.556(8) 2_654
C21 C22 1.654(10) .
C21 H21 1.17(9) .
C22 C22A 0.178(16) 2_654
C22 C23A 1.379(11) 2_654
C22 C23 1.442(11) .
C22 C21A 1.513(8) 2_654
C22 H22 0.932(9) .
C23 C23A 0.157(11) 2_654
C23 C23 1.462(10) 2_654
C23 C24A 1.472(10) 2_654
C23 C24 1.479(10) .
C23 C22A 1.516(10) 2_654
C23 C23A 1.589(6) .
C24 C24A 0.087(15) 2_654
C24 C23A 1.404(10) 2_654
C24 C25A 1.532(8) 2_654
C24 C25 1.581(10) .
C24 H24 0.932(7) .
C25 C25A 0.144(12) 2_654
C25 N2A 1.148(11) 2_654
C25 C24A 1.563(9) 2_654
C25 H25 1.06(7) .
C21A C21 0.267(11) 2_654
C21A N2 1.314(7) 2_654
C21A C22A 1.433(7) .
C21A C22 1.513(8) 2_654
C21A N2A 1.596(7) .
C21A H21A 0.930(5) .
C22A C22 0.178(16) 2_654
C22A C23A 1.439(10) .
C22A C23 1.516(10) 2_654
C22A C21 1.556(8) 2_654
C22A H22A 0.931(7) .
C23A C23 0.157(11) 2_654
C23A C22 1.379(11) 2_654
C23A C24A 1.390(9) .
C23A C24 1.404(10) 2_654
C23A C23A 1.720(9) 2_654
C24A C24 0.087(15) 2_654
C24A C23 1.472(10) 2_654
C24A C25A 1.513(8) .
C24A C25 1.563(9) 2_654
C24A H24A 0.96(7) .
C25A C25 0.143(12) 2_654
C25A N2A 1.273(8) .
C25A C24 1.532(8) 2_654
C25A N2 1.598(8) 2_654
C25A H25A 0.932(7) .
N2A N2 0.362(8) 2_654
N2A C25 1.148(11) 2_654
N2A C21 1.416(9) 2_654
N2A O8 1.519(5) 2_654
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_4
Dy1 O1 N1 C1 62.4(4) . .
Dy1 O1 N1 C5 -119.7(3) . .
O1 N1 C1 C2 177.2(5) . .
C5 N1 C1 C2 -0.4(8) . .
N1 C1 C2 C3 2.0(8) . .
C1 C2 C3 C3 179.0(7) . 5_755
C1 C2 C3 C4 -3.2(8) . .
C3 C3 C4 C5 -179.4(6) 5_755 .
C2 C3 C4 C5 2.6(8) . .
C3 C4 C5 N1 -1.3(8) . .
O1 N1 C5 C4 -177.3(5) . .
C1 N1 C5 C4 0.1(9) . .
Dy1 O2 C7 C8 -13.8(8) . .
Dy1 O2 C7 C6 167.7(3) . .
F1 C6 C7 O2 72.6(8) . .
F2 C6 C7 O2 -174.5(5) . .
F3 C6 C7 O2 -52.8(9) . .
F1 C6 C7 C8 -106.0(8) . .
F2 C6 C7 C8 6.9(8) . .
F3 C6 C7 C8 128.6(8) . .
O2 C7 C8 C9 -0.5(10) . .
C6 C7 C8 C9 177.8(6) . .
Dy1 O3 C9 C8 16.9(8) . .
Dy1 O3 C9 C10 -163.2(4) . .
C7 C8 C9 O3 -1.7(10) . .
C7 C8 C9 C10 178.4(6) . .
O3 C9 C10 F5 71.2(8) . .
C8 C9 C10 F5 -108.9(8) . .
O3 C9 C10 F4 -157.7(6) . .
C8 C9 C10 F4 22.2(10) . .
O3 C9 C10 F6 -44.9(9) . .
C8 C9 C10 F6 135.0(7) . .
Dy1 O4 C12 C11 -167.3(4) . .
Dy1 O4 C12 C13 14.0(10) . .
F7 C11 C12 O4 36.1(7) . .
F9 C11 C12 O4 164.0(6) . .
F8 C11 C12 O4 -74.6(7) . .
F7 C11 C12 C13 -144.9(6) . .
F9 C11 C12 C13 -17.0(8) . .
F8 C11 C12 C13 104.5(6) . .
O4 C12 C13 C14 -0.3(11) . .
C11 C12 C13 C14 -178.9(6) . .
Dy1 O5 C14 C13 -6.5(8) . .
Dy1 O5 C14 C15 168.8(3) . .
C12 C13 C14 O5 -3.3(8) . .
C12 C13 C14 C15 -178.8(5) . .
O5 C14 C15 F10 35.0(7) . .
C13 C14 C15 F10 -149.5(6) . .
O5 C14 C15 F11 149.7(6) . .
C13 C14 C15 F11 -34.8(8) . .
O5 C14 C15 F12 -85.3(8) . .
C13 C14 C15 F12 90.3(7) . .
Dy1 O6 C17 C18 24.2(9) . .
Dy1 O6 C17 C16 -154.4(5) . .
F14 C16 C17 O6 71.2(7) . .
F15 C16 C17 O6 -174.2(7) . .
F13 C16 C17 O6 -51.2(9) . .
F14 C16 C17 C18 -107.4(7) . .
F15 C16 C17 C18 7.1(11) . .
F13 C16 C17 C18 130.2(7) . .
O6 C17 C18 C19 5.0(10) . .
C16 C17 C18 C19 -176.4(6) . .
Dy1 O7 C19 C18 -15.9(9) . .
Dy1 O7 C19 C20 160.5(4) . .
C17 C18 C19 O7 -11.4(10) . .
C17 C18 C19 C20 172.3(6) . .
O7 C19 C20 F17 73.9(6) . .
C18 C19 C20 F17 -109.2(6) . .
O7 C19 C20 F16 -166.4(6) . .
C18 C19 C20 F16 10.4(9) . .
O7 C19 C20 F18 -46.6(8) . .
C18 C19 C20 F18 130.2(6) . .
Dy1 O8 N2 N2A 126.9(17) . 2_654
N2A O8 N2 C21 162(3) 2_654 .
Dy1 O8 N2 C21 -71.0(11) . .
N2A O8 N2 C21A 175(2) 2_654 2_654
Dy1 O8 N2 C21A -58.2(10) . 2_654
N2A O8 N2 C25 -8.3(15) 2_654 .
Dy1 O8 N2 C25 118.6(6) . .
N2A O8 N2 C25A -6.0(15) 2_654 2_654
Dy1 O8 N2 C25A 120.9(5) . 2_654
N2A N2 C21 C21A -103(4) 2_654 2_654
C25 N2 C21 C21A -87(2) . 2_654
O8 N2 C21 C21A 103(2) . 2_654
C25A N2 C21 C21A -89(2) 2_654 2_654
C21A N2 C21 N2A 103(4) 2_654 2_654
C25 N2 C21 N2A 16(3) . 2_654
O8 N2 C21 N2A -154(4) . 2_654
C25A N2 C21 N2A 14(3) 2_654 2_654
N2A N2 C21 C22A -27(3) 2_654 2_654
C21A N2 C21 C22A 76(2) 2_654 2_654
C25 N2 C21 C22A -11.0(15) . 2_654
O8 N2 C21 C22A 178.7(7) . 2_654
C25A N2 C21 C22A -13.4(14) 2_654 2_654
N2A N2 C21 C22 -33(3) 2_654 .
C21A N2 C21 C22 69(2) 2_654 .
C25 N2 C21 C22 -17.3(14) . .
O8 N2 C21 C22 172.4(7) . .
C25A N2 C21 C22 -19.8(13) 2_654 .
C21A C21 C22 C22A -136(5) 2_654 2_654
N2 C21 C22 C22A 112(3) . 2_654
N2A C21 C22 C22A 105(3) 2_654 2_654
C21A C21 C22 C23A 135(3) 2_654 2_654
N2 C21 C22 C23A 22.5(15) . 2_654
N2A C21 C22 C23A 16.1(13) 2_654 2_654
C22A C21 C22 C23A -89(3) 2_654 2_654
C21A C21 C22 C23 131(3) 2_654 .
N2 C21 C22 C23 18.8(16) . .
N2A C21 C22 C23 12.3(13) 2_654 .
C22A C21 C22 C23 -93(3) 2_654 .
N2 C21 C22 C21A -113(4) . 2_654
N2A C21 C22 C21A -119(4) 2_654 2_654
C22A C21 C22 C21A 136(5) 2_654 2_654
C22A C22 C23 C23A -26(6) 2_654 2_654
C21A C22 C23 C23A 42(5) 2_654 2_654
C21 C22 C23 C23A 34(5) . 2_654
C22A C22 C23 C23 111(3) 2_654 2_654
C23A C22 C23 C23 137(6) 2_654 2_654
C21A C22 C23 C23 179.2(10) 2_654 2_654
C21 C22 C23 C23 171.3(10) . 2_654
C22A C22 C23 C24A -63(3) 2_654 2_654
C23A C22 C23 C24A -37(5) 2_654 2_654
C21A C22 C23 C24A 5.0(13) 2_654 2_654
C21 C22 C23 C24A -2.9(12) . 2_654
C22A C22 C23 C24 -66(3) 2_654 .
C23A C22 C23 C24 -41(5) 2_654 .
C21A C22 C23 C24 1.7(14) 2_654 .
C21 C22 C23 C24 -6.2(12) . .
C23A C22 C23 C22A 26(6) 2_654 2_654
C21A C22 C23 C22A 68(3) 2_654 2_654
C21 C22 C23 C22A 60(3) . 2_654
C22A C22 C23 C23A 115(3) 2_654 .
C23A C22 C23 C23A 140(5) 2_654 .
C21A C22 C23 C23A -177.3(8) 2_654 .
C21 C22 C23 C23A 174.8(7) . .
C23A C23 C24 C24A 25(8) 2_654 2_654
C22 C23 C24 C24A 68(6) . 2_654
C23 C23 C24 C24A -109(6) 2_654 2_654
C22A C23 C24 C24A 62(6) 2_654 2_654
C23A C23 C24 C24A -113(6) . 2_654
C22 C23 C24 C23A 43(5) . 2_654
C23 C23 C24 C23A -135(6) 2_654 2_654
C24A C23 C24 C23A -25(8) 2_654 2_654
C22A C23 C24 C23A 37(5) 2_654 2_654
C23A C23 C24 C23A -138(6) . 2_654
C23A C23 C24 C25A -42(5) 2_654 2_654
C22 C23 C24 C25A 1.2(13) . 2_654
C23 C23 C24 C25A -176.1(11) 2_654 2_654
C24A C23 C24 C25A -67(5) 2_654 2_654
C22A C23 C24 C25A -4.8(12) 2_654 2_654
C23A C23 C24 C25A -179.8(8) . 2_654
C23A C23 C24 C25 -44(5) 2_654 .
C22 C23 C24 C25 -1.5(13) . .
C23 C23 C24 C25 -178.8(11) 2_654 .
C24A C23 C24 C25 -69(6) 2_654 .
C22A C23 C24 C25 -7.4(12) 2_654 .
C23A C23 C24 C25 177.5(8) . .
N2A N2 C25 C25A 54(10) 2_654 2_654
C21 N2 C25 C25A -98(10) . 2_654
C21A N2 C25 C25A -108(10) 2_654 2_654
O8 N2 C25 C25A 75(10) . 2_654
C21 N2 C25 N2A -152(4) . 2_654
C21A N2 C25 N2A -162(4) 2_654 2_654
O8 N2 C25 N2A 20(3) . 2_654
C25A N2 C25 N2A -54(10) 2_654 2_654
N2A N2 C25 C24A 157(4) 2_654 2_654
C21 N2 C25 C24A 4.7(14) . 2_654
C21A N2 C25 C24A -5.4(13) 2_654 2_654
O8 N2 C25 C24A 177.1(8) . 2_654
C25A N2 C25 C24A 103(10) 2_654 2_654
N2A N2 C25 C24 160(4) 2_654 .
C21 N2 C25 C24 8.2(14) . .
C21A N2 C25 C24 -2.0(13) 2_654 .
O8 N2 C25 C24 -179.5(8) . .
C25A N2 C25 C24 106(10) 2_654 .
C24A C24 C25 C25A 81(9) 2_654 2_654
C23A C24 C25 C25A 151(7) 2_654 2_654
C23 C24 C25 C25A 155(7) . 2_654
C24A C24 C25 N2A -68(6) 2_654 2_654
C23A C24 C25 N2A 0.8(17) 2_654 2_654
C23 C24 C25 N2A 5.1(18) . 2_654
C25A C24 C25 N2A -150(8) 2_654 2_654
C24A C24 C25 N2 -72(6) 2_654 .
C23A C24 C25 N2 -2.5(14) 2_654 .
C23 C24 C25 N2 1.8(15) . .
C25A C24 C25 N2 -153(8) 2_654 .
C23A C24 C25 C24A 69(6) 2_654 2_654
C23 C24 C25 C24A 74(6) . 2_654
C25A C24 C25 C24A -81(9) 2_654 2_654
C21 C21A C22A C22 -141(4) 2_654 2_654
N2 C21A C22A C22 -93(3) 2_654 2_654
N2A C21A C22A C22 -93(3) . 2_654
C21 C21A C22A C23A -63(3) 2_654 .
N2 C21A C22A C23A -14.3(14) 2_654 .
C22 C21A C22A C23A 78(3) 2_654 .
N2A C21A C22A C23A -14.4(12) . .
C21 C21A C22A C23 -68(3) 2_654 2_654
N2 C21A C22A C23 -19.5(14) 2_654 2_654
C22 C21A C22A C23 73(3) 2_654 2_654
N2A C21A C22A C23 -19.7(12) . 2_654
N2 C21A C22A C21 49(3) 2_654 2_654
C22 C21A C22A C21 141(4) 2_654 2_654
N2A C21A C22A C21 48(3) . 2_654
C22 C22A C23A C23 -26(6) 2_654 2_654
C21A C22A C23A C23 -130(5) . 2_654
C21 C22A C23A C23 -139(5) 2_654 2_654
C21A C22A C23A C22 -103(3) . 2_654
C23 C22A C23A C22 26(6) 2_654 2_654
C21 C22A C23A C22 -113(3) 2_654 2_654
C22 C22A C23A C24A 115(3) 2_654 .
C21A C22A C23A C24A 11.7(12) . .
C23 C22A C23A C24A 141(5) 2_654 .
C21 C22A C23A C24A 2.2(11) 2_654 .
C22 C22A C23A C24 112(3) 2_654 2_654
C21A C22A C23A C24 8.2(12) . 2_654
C23 C22A C23A C24 138(5) 2_654 2_654
C21 C22A C23A C24 -1.3(12) 2_654 2_654
C22 C22A C23A C23 -65(3) 2_654 .
C21A C22A C23A C23 -168.8(7) . .
C23 C22A C23A C23 -39(5) 2_654 .
C21 C22A C23A C23 -178.3(7) 2_654 .
C22 C22A C23A C23A -62(3) 2_654 2_654
C21A C22A C23A C23A -165.9(9) . 2_654
C23 C22A C23A C23A -36(5) 2_654 2_654
C21 C22A C23A C23A -175.4(8) 2_654 2_654
C23A C23 C23A C23 37(19) 2_654 2_654
C22 C23 C23A C23 -58(9) . 2_654
C24A C23 C23A C23 119(9) 2_654 2_654
C24 C23 C23A C23 123(9) . 2_654
C22A C23 C23A C23 -51(9) 2_654 2_654
C23A C23 C23A C22 120(10) 2_654 2_654
C22 C23 C23A C22 25.3(14) . 2_654
C23 C23 C23A C22 83(9) 2_654 2_654
C24A C23 C23A C22 -157.4(10) 2_654 2_654
C24 C23 C23A C22 -153.5(10) . 2_654
C22A C23 C23A C22 32.6(11) 2_654 2_654
C23A C23 C23A C24A -53(10) 2_654 .
C22 C23 C23A C24A -148.1(10) . .
C23 C23 C23A C24A -90(9) 2_654 .
C24A C23 C23A C24A 29.2(13) 2_654 .
C24 C23 C23A C24A 33.1(11) . .
C22A C23 C23A C24A -140.7(10) 2_654 .
C23A C23 C23A C24 -49(10) 2_654 2_654
C22 C23 C23A C24 -144.1(10) . 2_654
C23 C23 C23A C24 -86(9) 2_654 2_654
C24A C23 C23A C24 33.1(11) 2_654 2_654
C24 C23 C23A C24 37.1(13) . 2_654
C22A C23 C23A C24 -136.8(10) 2_654 2_654
C23A C23 C23A C22A 127(10) 2_654 .
C22 C23 C23A C22A 32.5(11) . .
C23 C23 C23A C22A 91(9) 2_654 .
C24A C23 C23A C22A -150.3(10) 2_654 .
C24 C23 C23A C22A -146.3(10) . .
C22A C23 C23A C22A 39.8(13) 2_654 .
C22 C23 C23A C23A -95(10) . 2_654
C23 C23 C23A C23A -37(19) 2_654 2_654
C24A C23 C23A C23A 83(10) 2_654 2_654
C24 C23 C23A C23A 86(10) . 2_654
C22A C23 C23A C23A -87(10) 2_654 2_654
C23 C23A C24A C24 26(8) 2_654 2_654
C22 C23A C24A C24 -107(6) 2_654 2_654
C22A C23A C24A C24 -114(6) . 2_654
C23 C23A C24A C24 66(6) . 2_654
C23A C23A C24A C24 63(6) 2_654 2_654
C22 C23A C24A C23 -134(6) 2_654 2_654
C24 C23A C24A C23 -26(8) 2_654 2_654
C22A C23A C24A C23 -141(6) . 2_654
C23 C23A C24A C23 40(5) . 2_654
C23A C23A C24A C23 37(5) 2_654 2_654
C23 C23A C24A C25A 136(5) 2_654 .
C22 C23A C24A C25A 2.1(13) 2_654 .
C24 C23A C24A C25A 110(6) 2_654 .
C22A C23A C24A C25A -4.7(12) . .
C23 C23A C24A C25A 175.7(7) . .
C23A C23A C24A C25A 172.9(8) 2_654 .
C23 C23A C24A C25 133(5) 2_654 2_654
C22 C23A C24A C25 -0.3(13) 2_654 2_654
C24 C23A C24A C25 107(6) 2_654 2_654
C22A C23A C24A C25 -7.1(12) . 2_654
C23 C23A C24A C25 173.4(8) . 2_654
C23A C23A C24A C25 170.5(9) 2_654 2_654
C24 C24A C25A C25 84(9) 2_654 2_654
C23A C24A C25A C25 -24(7) . 2_654
C23 C24A C25A C25 -19(7) 2_654 2_654
C24 C24A C25A N2A 109(6) 2_654 .
C23A C24A C25A N2A 1.9(13) . .
C23 C24A C25A N2A 6.7(14) 2_654 .
C25 C24A C25A N2A 26(7) 2_654 .
C23A C24A C25A C24 -108(6) . 2_654
C23 C24A C25A C24 -103(6) 2_654 2_654
C25 C24A C25A C24 -84(9) 2_654 2_654
C24 C24A C25A N2 107(6) 2_654 2_654
C23A C24A C25A N2 -0.1(12) . 2_654
C23 C24A C25A N2 4.7(13) 2_654 2_654
C25 C24A C25A N2 24(7) 2_654 2_654
C25 C25A N2A N2 48(10) 2_654 2_654
C24A C25A N2A N2 -16(4) . 2_654
C24 C25A N2A N2 -13(4) 2_654 2_654
C24A C25A N2A C25 -64(9) . 2_654
C24 C25A N2A C25 -60(9) 2_654 2_654
N2 C25A N2A C25 -48(10) 2_654 2_654
C25 C25A N2A C21 68(10) 2_654 2_654
C24A C25A N2A C21 4.0(12) . 2_654
C24 C25A N2A C21 7.6(12) 2_654 2_654
N2 C25A N2A C21 20(3) 2_654 2_654
C25 C25A N2A O8 -114(9) 2_654 2_654
C24A C25A N2A O8 -177.8(6) . 2_654
C24 C25A N2A O8 -174.2(7) 2_654 2_654
N2 C25A N2A O8 -161(4) 2_654 2_654
C25 C25A N2A C21A 60(10) 2_654 .
C24A C25A N2A C21A -4.2(11) . .
C24 C25A N2A C21A -0.6(11) 2_654 .
N2 C25A N2A C21A 12(3) 2_654 .
C21 C21A N2A N2 -84(4) 2_654 2_654
C22A C21A N2A N2 179(100) . 2_654
C22 C21A N2A N2 172(3) 2_654 2_654
C21 C21A N2A C25 110(2) 2_654 2_654
N2 C21A N2A C25 -166(3) 2_654 2_654
C22A C21A N2A C25 13.0(11) . 2_654
C22 C21A N2A C25 6.1(12) 2_654 2_654
C21 C21A N2A C25A 107(2) 2_654 .
N2 C21A N2A C25A -169(3) 2_654 .
C22A C21A N2A C25A 9.8(10) . .
C22 C21A N2A C25A 3.0(10) 2_654 .
N2 C21A N2A C21 84(4) 2_654 2_654
C22A C21A N2A C21 -97(3) . 2_654
C22 C21A N2A C21 -104(3) 2_654 2_654
C21 C21A N2A O8 -78(2) 2_654 2_654
N2 C21A N2A O8 6(3) 2_654 2_654
C22A C21A N2A O8 -175.3(6) . 2_654
C22 C21A N2A O8 177.8(6) 2_654 2_654
