#------------------------------------------------------------------------------
#$Date: 2019-11-23 19:40:09 +0200 (Sat, 23 Nov 2019) $
#$Revision: 234691 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/53/7125305.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_7125305
loop_
_publ_author_name
'Ou-Yang, J-K'
'Saleh, N.'
'Fernandez Garcia, G.'
'Norel, L.'
'Pointillart, F.'
'Guizouarn, T.'
'Cador, O.'
'Totti, F.'
'Ouahab, L.'
'Crassous, J.'
'Le Guennic, B.'
_publ_section_title
;
 Improved slow magnetic relaxation in optically pure helicene-based
 DyIII single molecule magnets.
;
_journal_issue                   100
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              14474
_journal_page_last               14477
_journal_paper_doi               10.1039/c6cc08638a
_journal_volume                  52
_journal_year                    2016
_chemical_formula_sum            'C48 H28 Dy F18 N2 O6'
_chemical_formula_weight         1233.22
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-10-26 deposited with the CCDC.
2016-11-23 downloaded from the CCDC.
;
_cell_angle_alpha                67.984(2)
_cell_angle_beta                 72.454(2)
_cell_angle_gamma                84.724(2)
_cell_formula_units_Z            2
_cell_length_a                   13.2160(5)
_cell_length_b                   13.9132(6)
_cell_length_c                   14.5959(6)
_cell_measurement_reflns_used    9927
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.43
_cell_measurement_theta_min      2.23
_cell_volume                     2371.71(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'APEXII, Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0258
_diffrn_reflns_av_sigmaI/netI    0.0251
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            38886
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    1.698
_exptl_absorpt_correction_T_max  0.7526
_exptl_absorpt_correction_T_min  0.5892
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.727
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1212
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.37
_refine_diff_density_max         1.376
_refine_diff_density_min         -1.362
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     701
_refine_ls_number_reflns         10755
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.0430
_refine_ls_R_factor_gt           0.0369
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0644P)²+3.7782P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1012
_refine_ls_wR_factor_ref         0.1116
_reflns_number_gt                9745
_reflns_number_total             10755
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6cc08638a2.cif
_cod_data_source_block           import-fpr772
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7125305
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.6122(3) 0.4082(3) 0.6425(3) 0.0256(7) Uani 1 1 d . . .
C2 C 0.7229(3) 0.4146(3) 0.6334(3) 0.0311(7) Uani 1 1 d . . .
H2 H 0.7729 0.3819 0.5954 0.037 Uiso 1 1 calc R . .
C3 C 0.7537(3) 0.4688(3) 0.6810(3) 0.0341(8) Uani 1 1 d . . .
H3 H 0.8258 0.4771 0.6707 0.041 Uiso 1 1 calc R . .
C4 C 0.6790(3) 0.5138(3) 0.7465(3) 0.0334(8) Uani 1 1 d . . .
C5 C 0.7157(4) 0.5785(3) 0.7863(3) 0.0407(9) Uani 1 1 d . . .
H5 H 0.7880 0.5851 0.7764 0.049 Uiso 1 1 calc R . .
C6 C 0.6453(4) 0.6304(3) 0.8386(3) 0.0423(10) Uani 1 1 d . . .
H6 H 0.6701 0.6795 0.8563 0.051 Uiso 1 1 calc R . .
C7 C 0.5344(4) 0.6112(3) 0.8670(3) 0.0382(9) Uani 1 1 d . . .
C8 C 0.4611(5) 0.6694(4) 0.9193(4) 0.0490(11) Uani 1 1 d . . .
H8 H 0.4867 0.7198 0.9347 0.059 Uiso 1 1 calc R . .
C9 C 0.3553(4) 0.6523(4) 0.9466(4) 0.0501(12) Uani 1 1 d . . .
H9 H 0.3087 0.6976 0.9708 0.060 Uiso 1 1 calc R . .
C10 C 0.3146(4) 0.5654(4) 0.9386(3) 0.0418(10) Uani 1 1 d . . .
C11 C 0.2032(4) 0.5415(4) 0.9774(3) 0.0516(12) Uani 1 1 d . . .
H11 H 0.1571 0.5875 1.0010 0.062 Uiso 1 1 calc R . .
C12 C 0.1630(4) 0.4543(4) 0.9807(3) 0.0510(12) Uani 1 1 d . . .
H12 H 0.0898 0.4440 1.0005 0.061 Uiso 1 1 calc R . .
C13 C 0.2317(3) 0.3778(4) 0.9540(3) 0.0427(10) Uani 1 1 d . . .
C14 C 0.1914(4) 0.2804(4) 0.9702(4) 0.0562(13) Uani 1 1 d . . .
H14 H 0.1184 0.2692 0.9904 0.067 Uiso 1 1 calc R . .
C15 C 0.2576(4) 0.2022(4) 0.9567(4) 0.0578(13) Uani 1 1 d . . .
H15 H 0.2298 0.1386 0.9671 0.069 Uiso 1 1 calc R . .
C16 C 0.3678(4) 0.2187(4) 0.9269(4) 0.0459(10) Uani 1 1 d . . .
H16 H 0.4131 0.1648 0.9209 0.055 Uiso 1 1 calc R . .
C17 C 0.4094(3) 0.3137(3) 0.9067(3) 0.0332(8) Uani 1 1 d . . .
H17 H 0.4827 0.3232 0.8865 0.040 Uiso 1 1 calc R . .
C18 C 0.3436(3) 0.3980(3) 0.9159(3) 0.0329(8) Uani 1 1 d . . .
C19 C 0.3849(3) 0.4996(3) 0.8959(3) 0.0330(8) Uani 1 1 d . . .
C20 C 0.4949(3) 0.5344(3) 0.8431(3) 0.0323(8) Uani 1 1 d . . .
C21 C 0.5689(3) 0.4985(3) 0.7668(3) 0.0287(7) Uani 1 1 d . . .
C22 C 0.5365(3) 0.4559(3) 0.7028(3) 0.0251(6) Uani 1 1 d . . .
C23 C 0.4343(3) 0.4675(3) 0.6882(3) 0.0265(7) Uani 1 1 d . . .
H23 H 0.3835 0.5042 0.7208 0.032 Uiso 1 1 calc R . .
C24 C 0.4097(3) 0.4249(3) 0.6267(3) 0.0253(7) Uani 1 1 d . . .
H24 H 0.3431 0.4344 0.6159 0.030 Uiso 1 1 calc R . .
C25 C 0.4857(3) 0.3668(3) 0.5799(2) 0.0236(6) Uani 1 1 d . . .
C26 C 0.4610(3) 0.3163(3) 0.5156(3) 0.0248(6) Uani 1 1 d . . .
C27 C 0.3588(3) 0.3091(3) 0.5117(3) 0.0339(8) Uani 1 1 d . . .
H27 H 0.3024 0.3349 0.5513 0.041 Uiso 1 1 calc R . .
C28 C 0.3405(3) 0.2628(4) 0.4479(3) 0.0395(9) Uani 1 1 d . . .
H28 H 0.2722 0.2574 0.4446 0.047 Uiso 1 1 calc R . .
C29 C 0.4256(3) 0.2253(3) 0.3901(3) 0.0374(8) Uani 1 1 d . . .
H29 H 0.4162 0.1946 0.3465 0.045 Uiso 1 1 calc R . .
C30 C 0.5255(3) 0.2346(3) 0.3984(3) 0.0335(8) Uani 1 1 d . . .
H30 H 0.5829 0.2090 0.3595 0.040 Uiso 1 1 calc R . .
C31 C 0.4187(4) -0.0062(4) 0.7512(4) 0.0518(12) Uani 1 1 d . . .
C35 C 0.6787(5) 0.1107(4) 0.8784(4) 0.0595(14) Uani 1 1 d . . .
C36 C 1.0251(4) 0.2417(4) 0.5790(5) 0.0524(12) Uani 1 1 d . . .
C40 C 0.8462(5) -0.0972(4) 0.6632(5) 0.0573(14) Uani 1 1 d . . .
C41 C 0.9139(3) 0.5004(3) 0.2813(3) 0.0403(9) Uani 1 1 d . . .
C42 C 0.8528(3) 0.3972(3) 0.3200(3) 0.0312(8) Uani 1 1 d . A .
C43 C 0.8889(3) 0.3305(3) 0.2666(3) 0.0367(8) Uani 1 1 d . . .
H43 H 0.9487 0.3492 0.2096 0.044 Uiso 1 1 calc R . .
C44 C 0.8367(3) 0.2361(3) 0.2972(3) 0.0333(8) Uani 1 1 d . A .
C45 C 0.8664(3) 0.1734(4) 0.2263(4) 0.0432(10) Uani 1 1 d . . .
C46 C 0.9373(12) 0.2266(11) -0.0949(12) 0.179(6) Uani 1 1 d . . .
H46A H 0.9482 0.2823 -0.1607 0.268 Uiso 1 1 calc R . .
H46B H 0.9586 0.2492 -0.0488 0.268 Uiso 1 1 calc R . .
H46C H 0.8636 0.2062 -0.0667 0.268 Uiso 1 1 calc R . .
C47 C 1.0073(16) 0.1291(13) -0.1095(12) 0.198(7) Uani 1 1 d . . .
H47A H 1.0826 0.1462 -0.1343 0.237 Uiso 1 1 calc R . .
H47B H 0.9885 0.1055 -0.1571 0.237 Uiso 1 1 calc R . .
C48 C 0.9748(12) 0.0418(11) 0.0079(12) 0.162(5) Uani 1 1 d . . .
H48A H 1.0004 0.0619 0.0540 0.194 Uiso 1 1 calc R . .
H48B H 0.8986 0.0297 0.0355 0.194 Uiso 1 1 calc R . .
N1 N 0.5848(2) 0.3594(2) 0.5867(2) 0.0239(6) Uani 1 1 d . . .
N2 N 0.5439(2) 0.2783(2) 0.4595(2) 0.0272(6) Uani 1 1 d . . .
O1 O 0.5545(2) 0.1117(2) 0.6305(2) 0.0351(6) Uani 1 1 d . . .
O2 O 0.6931(2) 0.1821(2) 0.7034(2) 0.0354(6) Uani 1 1 d . . .
O3 O 0.8731(2) 0.2456(2) 0.5293(2) 0.0353(6) Uani 1 1 d . . .
O4 O 0.7721(2) 0.0579(2) 0.5783(2) 0.0357(6) Uani 1 1 d . . .
O5 O 0.77419(19) 0.3841(2) 0.3987(2) 0.0318(5) Uani 1 1 d . . .
O6 O 0.7630(2) 0.1942(2) 0.3781(2) 0.0339(6) Uani 1 1 d . . .
F1 F 0.3989(6) -0.0809(5) 0.8374(5) 0.187(4) Uani 1 1 d . A .
F2 F 0.4122(5) -0.0389(6) 0.6864(5) 0.170(4) Uani 1 1 d . A .
F3 F 0.3393(4) 0.0509(5) 0.7612(8) 0.181(4) Uani 1 1 d . A .
F4 F 0.6238(5) 0.0426(4) 0.9638(3) 0.1100(17) Uani 1 1 d . A .
F5 F 0.6654(4) 0.2018(3) 0.8908(3) 0.0820(11) Uani 1 1 d . A .
F6 F 0.7761(4) 0.0831(5) 0.8680(4) 0.1091(16) Uani 1 1 d . A .
F7 F 0.9819(4) 0.2989(4) 0.6369(5) 0.1126(18) Uani 1 1 d . A .
F8 F 1.0756(2) 0.3077(3) 0.4863(3) 0.0807(12) Uani 1 1 d . A .
F9 F 1.0937(3) 0.1819(3) 0.6188(3) 0.0847(12) Uani 1 1 d . A .
F10 F 0.7979(7) -0.1304(4) 0.7582(5) 0.190(4) Uani 1 1 d . A .
F11 F 0.9432(4) -0.1331(3) 0.6568(5) 0.127(2) Uani 1 1 d . A .
F12 F 0.8133(5) -0.1433(3) 0.6158(5) 0.136(2) Uani 1 1 d . A .
F13 F 0.9591(4) 0.5010(3) 0.3500(3) 0.0907(13) Uani 1 1 d . . .
F14 F 0.8507(2) 0.5797(2) 0.2671(3) 0.0774(11) Uani 1 1 d . . .
F15 F 0.9907(3) 0.5173(3) 0.1947(3) 0.0890(13) Uani 1 1 d . . .
F16 F 0.8791(3) 0.0749(3) 0.2770(3) 0.0631(8) Uani 1 1 d . . .
F17 F 0.7907(3) 0.1791(3) 0.1828(2) 0.0604(8) Uani 1 1 d . . .
F18 F 0.9560(3) 0.2084(3) 0.1505(3) 0.0843(13) Uani 1 1 d . . .
Dy1 Dy 0.700025(11) 0.225916(12) 0.530041(12) 0.02630(7) Uani 1 1 d . A .
C32 C 0.5188(4) 0.0572(4) 0.7222(4) 0.0366(11) Uani 0.862(5) 1 d P A 1
C33 C 0.55811(16) 0.05092(16) 0.80304(17) 0.0433(12) Uani 0.862(5) 1 d P A 1
H33 H 0.5280 0.0033 0.8691 0.052 Uiso 0.862(5) 1 calc PR A 1
C34 C 0.64205(16) 0.11557(16) 0.78532(17) 0.0357(10) Uani 0.862(5) 1 d PR A 1
C37 C 0.93397(16) 0.18544(16) 0.57239(17) 0.0335(10) Uani 0.862(5) 1 d PR A 1
C38 C 0.92867(16) 0.07720(16) 0.61550(17) 0.0394(11) Uani 0.862(5) 1 d PR A 1
H38 H 0.9796 0.0413 0.6469 0.047 Uiso 0.862(5) 1 d PR A 1
C39 C 0.84707(16) 0.02232(16) 0.61181(17) 0.0346(10) Uani 0.862(5) 1 d PR A 1
C32A C 0.73898(16) -0.01719(16) 0.66108(17) 0.029(6) Uani 0.138(5) 1 d PR A 2
C33A C 0.63658(16) -0.04339(16) 0.72248(17) 0.032(6) Uani 0.138(5) 1 d PR A 2
H33A H 0.6227 -0.1034 0.7814 0.039 Uiso 0.138(5) 1 calc PR A 2
C34A C 0.56048(16) 0.01401(16) 0.69918(17) 0.036(7) Uani 0.138(5) 1 d PR A 2
C37A C 0.76168(16) 0.17361(16) 0.75798(17) 0.030(6) Uani 0.138(5) 1 d PR A 2
C38A C 0.86608(16) 0.17931(16) 0.72678(17) 0.035(6) Uani 0.138(5) 1 d PR A 2
H38A H 0.9055 0.1548 0.7738 0.042 Uiso 0.138(5) 1 calc PR A 2
C39A C 0.91718(16) 0.22471(16) 0.61778(17) 0.040(7) Uani 0.138(5) 1 d PR A 2
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'
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'
F F 0.0171 0.0103 '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'
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
N1 C1 C22 122.4(3) .
N1 C1 C2 117.6(3) .
C22 C1 C2 119.9(3) .
C3 C2 C1 119.3(3) .
C2 C3 C4 122.3(3) .
C21 C4 C5 120.2(4) .
C21 C4 C3 119.9(3) .
C5 C4 C3 119.8(4) .
C6 C5 C4 119.9(4) .
C5 C6 C7 121.2(4) .
C6 C7 C20 120.3(4) .
C6 C7 C8 120.3(4) .
C20 C7 C8 119.4(4) .
C9 C8 C7 121.1(4) .
C8 C9 C10 120.5(4) .
C19 C10 C9 120.1(4) .
C19 C10 C11 119.6(4) .
C9 C10 C11 120.2(4) .
C12 C11 C10 121.9(4) .
C11 C12 C13 120.5(4) .
C14 C13 C12 121.0(4) .
C14 C13 C18 119.6(4) .
C12 C13 C18 119.3(4) .
C15 C14 C13 121.4(4) .
C14 C15 C16 119.3(5) .
C17 C16 C15 120.7(4) .
C16 C17 C18 121.7(4) .
C17 C18 C13 117.0(4) .
C17 C18 C19 123.2(3) .
C13 C18 C19 119.6(4) .
C10 C19 C20 118.1(4) .
C10 C19 C18 117.2(4) .
C20 C19 C18 124.5(3) .
C7 C20 C19 117.6(4) .
C7 C20 C21 116.4(4) .
C19 C20 C21 126.0(3) .
C4 C21 C22 117.2(3) .
C4 C21 C20 118.8(3) .
C22 C21 C20 123.7(3) .
C23 C22 C1 116.0(3) .
C23 C22 C21 123.9(3) .
C1 C22 C21 119.7(3) .
C24 C23 C22 120.5(3) .
C23 C24 C25 119.7(3) .
N1 C25 C24 121.4(3) .
N1 C25 C26 117.0(3) .
C24 C25 C26 121.5(3) .
N2 C26 C27 121.2(3) .
N2 C26 C25 116.7(3) .
C27 C26 C25 122.2(3) .
C26 C27 C28 119.7(4) .
C29 C28 C27 118.8(4) .
C28 C29 C30 118.4(4) .
N2 C30 C29 123.4(4) .
F2 C31 F3 104.4(7) .
F2 C31 F1 108.1(6) .
F3 C31 F1 103.7(7) .
F2 C31 C32 115.0(4) .
F3 C31 C32 109.0(4) .
F1 C31 C32 115.5(5) .
F2 C31 C34A 93.5(4) .
F3 C31 C34A 135.9(4) .
F1 C31 C34A 108.5(5) .
C32 C31 C34A 28.8(2) .
F6 C35 F4 105.8(5) .
F6 C35 F5 110.5(6) .
F4 C35 F5 106.7(5) .
F6 C35 C34 111.5(4) .
F4 C35 C34 111.6(5) .
F5 C35 C34 110.5(4) .
F6 C35 C37A 66.5(3) .
F4 C35 C37A 165.5(5) .
F5 C35 C37A 87.7(4) .
C34 C35 C37A 63.04(19) .
F9 C36 F8 108.8(4) .
F9 C36 F7 108.1(5) .
F8 C36 F7 106.4(5) .
F9 C36 C39A 124.4(5) .
F8 C36 C39A 125.6(4) .
F7 C36 C39A 69.5(3) .
F9 C36 C37 115.2(4) .
F8 C36 C37 110.2(4) .
F7 C36 C37 107.7(4) .
C39A C36 C37 38.48(13) .
F10 C40 F12 111.5(7) .
F10 C40 F11 105.1(6) .
F12 C40 F11 101.3(5) .
F10 C40 C39 113.3(5) .
F12 C40 C39 113.0(4) .
F11 C40 C39 111.8(5) .
F10 C40 C32A 80.9(5) .
F12 C40 C32A 90.5(4) .
F11 C40 C32A 163.4(4) .
C39 C40 C32A 52.18(16) .
F14 C41 F13 107.3(4) .
F14 C41 F15 107.8(4) .
F13 C41 F15 106.1(4) .
F14 C41 C42 111.8(3) .
F13 C41 C42 109.9(4) .
F15 C41 C42 113.6(4) .
O5 C42 C43 128.0(4) .
O5 C42 C41 113.9(3) .
C43 C42 C41 118.2(3) .
C42 C43 C44 121.0(3) .
O6 C44 C43 127.4(4) .
O6 C44 C45 113.1(4) .
C43 C44 C45 119.5(3) .
F16 C45 F17 107.7(4) .
F16 C45 F18 107.2(4) .
F17 C45 F18 107.2(4) .
F16 C45 C44 112.0(4) .
F17 C45 C44 110.0(3) .
F18 C45 C44 112.5(4) .
C46 C47 C48 102.4(13) .
C48 C48 C47 101.4(16) 2_755
C25 N1 C1 119.0(3) .
C25 N1 Dy1 117.4(2) .
C1 N1 Dy1 122.2(2) .
C30 N2 C26 118.6(3) .
C30 N2 Dy1 120.4(2) .
C26 N2 Dy1 115.9(2) .
C32 O1 C34A 38.7(3) .
C32 O1 Dy1 136.2(3) .
C34A O1 Dy1 124.55(18) .
C34 O2 C37A 82.6(2) .
C34 O2 Dy1 133.4(2) .
C37A O2 Dy1 137.52(19) .
C37 O3 C39A 40.36(11) .
C37 O3 Dy1 132.7(2) .
C39A O3 Dy1 129.61(17) .
C39 O4 C32A 71.62(19) .
C39 O4 Dy1 133.2(2) .
C32A O4 Dy1 127.4(2) .
C42 O5 Dy1 127.9(2) .
C44 O6 Dy1 131.9(3) .
C35 F6 C37A 68.8(3) .
C36 F7 C39A 56.2(2) .
O6 Dy1 O3 90.23(10) .
O6 Dy1 O1 105.65(10) .
O3 Dy1 O1 138.18(10) .
O6 Dy1 O2 149.52(10) .
O3 Dy1 O2 74.34(10) .
O1 Dy1 O2 72.77(10) .
O6 Dy1 O5 73.24(9) .
O3 Dy1 O5 70.63(9) .
O1 Dy1 O5 150.75(9) .
O2 Dy1 O5 123.18(10) .
O6 Dy1 O4 75.11(10) .
O3 Dy1 O4 72.82(9) .
O1 Dy1 O4 74.38(9) .
O2 Dy1 O4 75.25(10) .
O5 Dy1 O4 130.78(9) .
O6 Dy1 N2 79.37(10) .
O3 Dy1 N2 153.51(10) .
O1 Dy1 N2 68.31(10) .
O2 Dy1 N2 124.98(9) .
O5 Dy1 N2 83.02(9) .
O4 Dy1 N2 126.35(10) .
O6 Dy1 N1 135.79(9) .
O3 Dy1 N1 109.80(9) .
O1 Dy1 N1 85.50(9) .
O2 Dy1 N1 74.68(9) .
O5 Dy1 N1 76.97(9) .
O4 Dy1 N1 147.63(10) .
N2 Dy1 N1 65.09(10) .
O1 C32 C33 126.8(4) .
O1 C32 C31 116.5(5) .
C33 C32 C31 116.6(4) .
C34 C33 C32 120.4(2) .
O2 C34 C33 129.27(17) .
O2 C34 C35 112.0(3) .
C33 C34 C35 118.7(2) .
O3 C37 C38 128.67(16) .
O3 C37 C36 113.1(3) .
C38 C37 C36 118.2(2) .
C37 C38 C39 120.5 .
O4 C39 C38 127.55(16) .
O4 C39 C40 115.3(3) .
C38 C39 C40 116.9(2) .
O4 C32A C33A 128.74(15) .
O4 C32A C40 103.1(3) .
C33A C32A C40 126.4(2) .
C34A C33A C32A 120.3 .
C33A C34A O1 134.28(14) .
C33A C34A C31 131.36(18) .
O1 C34A C31 94.3(2) .
C38A C37A O2 129.22(14) .
C38A C37A F6 85.39(18) .
O2 C37A F6 132.5(3) .
C38A C37A C35 129.1(2) .
O2 C37A C35 98.1(3) .
F6 C37A C35 44.7(2) .
C37A C38A C39A 117.8 .
C36 C39A C38A 121.7(3) .
C36 C39A O3 108.1(3) .
C38A C39A O3 129.52(13) .
C36 C39A F7 54.3(3) .
C38A C39A F7 89.9(2) .
O3 C39A F7 128.6(3) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.375(5) .
C1 C22 1.415(5) .
C1 C2 1.437(5) .
C2 C3 1.354(6) .
C3 C4 1.431(6) .
C4 C21 1.414(5) .
C4 C5 1.422(6) .
C5 C6 1.353(7) .
C6 C7 1.420(7) .
C7 C20 1.424(6) .
C7 C8 1.432(6) .
C8 C9 1.350(8) .
C9 C10 1.424(7) .
C10 C19 1.418(5) .
C10 C11 1.431(7) .
C11 C12 1.347(8) .
C12 C13 1.425(7) .
C13 C14 1.412(7) .
C13 C18 1.427(5) .
C14 C15 1.368(8) .
C15 C16 1.403(7) .
C16 C17 1.371(6) .
C17 C18 1.418(5) .
C18 C19 1.456(6) .
C19 C20 1.454(6) .
C20 C21 1.455(5) .
C21 C22 1.453(5) .
C22 C23 1.415(5) .
C23 C24 1.368(5) .
C24 C25 1.408(5) .
C25 N1 1.335(4) .
C25 C26 1.483(5) .
C26 N2 1.352(4) .
C26 C27 1.384(5) .
C27 C28 1.397(6) .
C28 C29 1.378(6) .
C29 C30 1.384(5) .
C30 N2 1.337(5) .
C31 F2 1.221(7) .
C31 F3 1.262(7) .
C31 F1 1.266(7) .
C31 C32 1.517(6) .
C31 C34A 1.801(5) .
C35 F6 1.289(7) .
C35 F4 1.293(7) .
C35 F5 1.335(7) .
C35 C34 1.552(6) .
C35 C37A 1.709(6) .
C36 F9 1.292(6) .
C36 F8 1.326(7) .
C36 F7 1.342(7) .
C36 C39A 1.373(5) .
C36 C37 1.541(5) .
C40 F10 1.259(8) .
C40 F12 1.282(7) .
C40 F11 1.322(7) .
C40 C39 1.547(5) .
C40 C32A 1.720(5) .
C41 F14 1.311(5) .
C41 F13 1.315(6) .
C41 F15 1.316(5) .
C41 C42 1.538(6) .
C42 O5 1.261(4) .
C42 C43 1.389(6) .
C43 C44 1.393(6) .
C44 O6 1.256(5) .
C44 C45 1.534(6) .
C45 F16 1.314(6) .
C45 F17 1.320(5) .
C45 F18 1.332(5) .
C46 C47 1.61(2) .
C47 C48 1.64(2) .
C48 C48 1.35(2) 2_755
N1 Dy1 2.515(3) .
N2 Dy1 2.508(3) .
O1 C32 1.230(6) .
O1 C34A 1.366(3) .
O1 Dy1 2.343(3) .
O2 C34 1.241(3) .
O2 C37A 1.347(4) .
O2 Dy1 2.345(3) .
O3 C37 1.237(3) .
O3 C39A 1.495(4) .
O3 Dy1 2.324(3) .
O4 C39 1.220(3) .
O4 C32A 1.250(4) .
O4 Dy1 2.372(3) .
O5 Dy1 2.363(3) .
O6 Dy1 2.315(3) .
F6 C37A 1.681(5) .
F7 C39A 1.548(4) .
C32 C33 1.398(6) .
C33 C34 1.3938 .
C37 C38 1.3968 .
C38 C39 1.4022 .
C32A C33A 1.3719 .
C33A C34A 1.2727 .
C37A C38A 1.3159 .
C38A C39A 1.4365 .
