#------------------------------------------------------------------------------
#$Date: 2016-02-18 14:25:00 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/18/8101881.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_8101881
loop_
_publ_author_name
'Ju, Y.-L.'
'Li, X.'
'Zhang, T.-T.'
_publ_section_title
;
Crystal structure of bis(1,10-phenanthroline-N,N')bis(4-fluorobenzoato-
O,O')tetrakis(μ-4-fluorobenzoato-O,O')-didysprosium(III), Dy₂
(C₆H₄FCOO)₆(C₁₂H₈N₂)₂
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              7
_journal_page_last               8
_journal_volume                  221
_journal_year                    2006
_chemical_formula_structural     Dy2(C6H4FCOO)6(C12H8N2)2
_chemical_formula_sum            'C66 H40 Dy2 F6 N4 O12'
_chemical_formula_weight         1520.02
_chemical_name_systematic
; 
bis(4-fluorobenzoato-O,O')tetrakis(μ-4-fluorobenzoato-O,O')bis(1,10-
phenanthroline-N,N')didysprosium(III)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_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
_cell_angle_alpha                106.704(2)
_cell_angle_beta                 107.835(2)
_cell_angle_gamma                101.476(2)
_cell_formula_units_Z            1
_cell_length_a                   9.9152(13)
_cell_length_b                   11.7752(14)
_cell_length_c                   14.7754(18)
_cell_measurement_reflns_used    4636
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      26.33
_cell_measurement_theta_min      2.20
_cell_volume                     1492.9(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       phi/omega
_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  0.0206
_diffrn_reflns_av_sigmaI/netI    0.0418
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7631
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    2.570
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.678426
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.691
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             746
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.020
_refine_diff_density_min         -0.957
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         5220
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0294
_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)+(0.0379P)²+0.5204P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0681
_refine_ls_wR_factor_ref         0.0735
_reflns_number_gt                4565
_reflns_number_total             5220
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1668.cff
_cod_data_source_block           50925e
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8101881
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_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.18174(2) 0.936065(17) 0.062968(15) 0.03102(8) Uani 1 2 i d . . .
F1 F 0.3125(7) 1.1987(5) -0.3980(4) 0.148(2) Uani 1 2 i d U . .
F2 F 0.2517(7) 1.5075(5) 0.5665(3) 0.146(2) Uani 1 2 i d U . .
F3 F 0.9178(5) 1.2837(4) 0.6180(3) 0.1035(14) Uani 1 2 i d U . .
O1 O 0.2372(4) 1.0304(3) -0.0460(2) 0.0464(8) Uani 1 2 i d . . .
O2 O 0.0264(4) 1.0750(3) -0.0997(3) 0.0552(9) Uani 1 2 i d . . .
O3 O 0.2058(4) 1.1447(3) 0.1454(2) 0.0446(8) Uani 1 2 i d . . .
O4 O 0.0012(4) 1.2000(3) 0.0945(2) 0.0456(8) Uani 1 2 i d . . .
O5 O 0.4366(4) 1.0117(3) 0.1671(2) 0.0424(7) Uani 1 2 i d . . .
O6 O 0.2934(4) 0.9805(3) 0.2515(2) 0.0480(8) Uani 1 2 i d . . .
N1 N 0.1680(4) 0.7304(3) 0.0908(3) 0.0372(8) Uani 1 2 i d . . .
N2 N 0.2998(4) 0.7883(3) -0.0344(3) 0.0351(8) Uani 1 2 i d . . .
C1 C 0.1490(5) 1.0663(4) -0.1035(3) 0.0387(10) Uani 1 2 i d . . .
C2 C 0.1923(5) 1.1025(4) -0.1826(3) 0.0387(10) Uani 1 2 i d . . .
C3 C 0.3403(6) 1.1494(4) -0.1653(4) 0.0458(12) Uani 1 2 i d . . .
H3 H 0.4127 1.1569 -0.1045 0.055 Uiso 1 2 i calc R . .
C4 C 0.3850(9) 1.1857(5) -0.2348(6) 0.077(2) Uani 1 2 i d . . .
H4 H 0.4850 1.2215 -0.2212 0.092 Uiso 1 2 i calc R . .
C5 C 0.2721(12) 1.1656(8) -0.3264(6) 0.095(3) Uani 1 2 i d . . .
C6 C 0.1251(11) 1.1195(8) -0.3485(5) 0.098(3) Uani 1 2 i d . . .
H6 H 0.0537 1.1092 -0.4108 0.117 Uiso 1 2 i calc R . .
C7 C 0.0832(7) 1.0873(6) -0.2738(4) 0.0660(17) Uani 1 2 i d . . .
H7 H -0.0171 1.0561 -0.2859 0.079 Uiso 1 2 i calc R . .
C8 C 0.1181(5) 1.2042(4) 0.1621(3) 0.0357(10) Uani 1 2 i d . . .
C9 C 0.1572(6) 1.2887(4) 0.2705(3) 0.0428(11) Uani 1 2 i d . . .
C10 C 0.0616(7) 1.3530(5) 0.2937(4) 0.0559(14) Uani 1 2 i d . . .
H10 H -0.0256 1.3454 0.2420 0.067 Uiso 1 2 i calc R . .
C11 C 0.0963(9) 1.4285(6) 0.3941(5) 0.081(2) Uani 1 2 i d . . .
H11 H 0.0347 1.4743 0.4100 0.097 Uiso 1 2 i calc R . .
C12 C 0.2182(10) 1.4348(6) 0.4671(5) 0.089(2) Uani 1 2 i d . . .
C13 C 0.3163(10) 1.3726(7) 0.4488(5) 0.097(3) Uani 1 2 i d . . .
H13 H 0.4013 1.3793 0.5019 0.116 Uiso 1 2 i calc R . .
C14 C 0.2833(7) 1.2990(6) 0.3474(4) 0.0700(17) Uani 1 2 i d . . .
H14 H 0.3480 1.2565 0.3321 0.084 Uiso 1 2 i calc R . .
C15 C 0.4188(6) 1.0234(4) 0.2505(3) 0.0388(11) Uani 1 2 i d . . .
C16 C 0.5522(6) 1.0924(4) 0.3491(3) 0.0431(11) Uani 1 2 i d . . .
C17 C 0.5360(7) 1.1165(6) 0.4423(4) 0.0657(16) Uani 1 2 i d . . .
H17 H 0.4422 1.0895 0.4436 0.079 Uiso 1 2 i calc R . .
C18 C 0.6602(9) 1.1809(7) 0.5334(5) 0.087(2) Uani 1 2 i d . . .
H18 H 0.6509 1.1969 0.5962 0.105 Uiso 1 2 i calc R . .
C19 C 0.7957(8) 1.2202(6) 0.5289(4) 0.0714(18) Uani 1 2 i d . . .
C20 C 0.8150(7) 1.1977(5) 0.4394(4) 0.0619(15) Uani 1 2 i d . . .
H20 H 0.9095 1.2243 0.4389 0.074 Uiso 1 2 i calc R . .
C21 C 0.6923(6) 1.1348(5) 0.3493(4) 0.0529(13) Uani 1 2 i d . . .
H21 H 0.7038 1.1206 0.2873 0.063 Uiso 1 2 i calc R . .
C22 C 0.1135(6) 0.7049(4) 0.1557(4) 0.0492(12) Uani 1 2 i d . . .
H22 H 0.0815 0.7646 0.1925 0.059 Uiso 1 2 i calc R . .
C23 C 0.1006(7) 0.5937(5) 0.1730(4) 0.0609(15) Uani 1 2 i d . . .
H23 H 0.0605 0.5799 0.2196 0.073 Uiso 1 2 i calc R . .
C24 C 0.1478(7) 0.5055(5) 0.1202(4) 0.0614(15) Uani 1 2 i d . . .
H24 H 0.1403 0.4308 0.1308 0.074 Uiso 1 2 i calc R . .
C25 C 0.2074(6) 0.5275(4) 0.0504(4) 0.0487(12) Uani 1 2 i d . . .
C26 C 0.2564(7) 0.4396(5) -0.0093(5) 0.0666(17) Uani 1 2 i d . . .
H26 H 0.2478 0.3625 -0.0029 0.080 Uiso 1 2 i calc R . .
C27 C 0.3139(7) 0.4650(5) -0.0738(5) 0.0718(18) Uani 1 2 i d . . .
H27 H 0.3441 0.4050 -0.1120 0.086 Uiso 1 2 i calc R . .
C28 C 0.3308(6) 0.5830(4) -0.0863(4) 0.0490(12) Uani 1 2 i d . . .
C29 C 0.3996(7) 0.6164(5) -0.1484(5) 0.0650(16) Uani 1 2 i d . . .
H29 H 0.4313 0.5591 -0.1879 0.078 Uiso 1 2 i calc R . .
C30 C 0.4203(7) 0.7329(5) -0.1510(4) 0.0617(15) Uani 1 2 i d . . .
H30 H 0.4681 0.7569 -0.1909 0.074 Uiso 1 2 i calc R . .
C31 C 0.3685(6) 0.8158(4) -0.0927(4) 0.0447(11) Uani 1 2 i d . . .
H31 H 0.3831 0.8952 -0.0951 0.054 Uiso 1 2 i calc R . .
C32 C 0.2826(5) 0.6727(4) -0.0298(3) 0.0373(10) Uani 1 2 i d . . .
C33 C 0.2166(5) 0.6433(4) 0.0387(3) 0.0375(10) Uani 1 2 i d . . .
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
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Dy1 O4 79.34(12) 2_575 2_575 ?
O2 Dy1 O3 76.35(12) 2_575 . ?
O4 Dy1 O3 126.07(11) 2_575 . ?
O2 Dy1 O1 124.68(13) 2_575 . ?
O4 Dy1 O1 78.89(12) 2_575 . ?
O3 Dy1 O1 76.87(11) . . ?
O2 Dy1 O5 132.33(11) 2_575 . ?
O4 Dy1 O5 146.01(11) 2_575 . ?
O3 Dy1 O5 80.15(11) . . ?
O1 Dy1 O5 88.40(12) . . ?
O2 Dy1 O6 79.91(12) 2_575 . ?
O4 Dy1 O6 145.78(11) 2_575 . ?
O3 Dy1 O6 74.06(11) . . ?
O1 Dy1 O6 135.28(11) . . ?
O5 Dy1 O6 53.81(11) . . ?
O2 Dy1 N1 85.08(12) 2_575 . ?
O4 Dy1 N1 80.74(11) 2_575 . ?
O3 Dy1 N1 142.39(11) . . ?
O1 Dy1 N1 139.23(11) . . ?
O5 Dy1 N1 89.19(11) . . ?
O6 Dy1 N1 70.63(11) . . ?
O2 Dy1 N2 139.48(12) 2_575 . ?
O4 Dy1 N2 71.16(11) 2_575 . ?
O3 Dy1 N2 143.94(12) . . ?
O1 Dy1 N2 76.47(11) . . ?
O5 Dy1 N2 75.26(11) . . ?
O6 Dy1 N2 110.09(11) . . ?
N1 Dy1 N2 63.59(11) . . ?
O2 Dy1 C15 105.55(14) 2_575 . ?
O4 Dy1 C15 160.54(12) 2_575 . ?
O3 Dy1 C15 73.19(12) . . ?
O1 Dy1 C15 111.54(13) . . ?
O5 Dy1 C15 27.16(13) . . ?
O6 Dy1 C15 26.84(12) . . ?
N1 Dy1 C15 80.94(12) . . ?
N2 Dy1 C15 94.72(12) . . ?
C1 O1 Dy1 125.1(3) . . ?
C1 O2 Dy1 164.5(3) . 2_575 ?
C8 O3 Dy1 135.5(3) . . ?
C8 O4 Dy1 140.2(3) . 2_575 ?
C15 O5 Dy1 95.6(3) . . ?
C15 O6 Dy1 88.2(3) . . ?
C22 N1 C33 117.6(4) . . ?
C22 N1 Dy1 121.2(3) . . ?
C33 N1 Dy1 121.2(3) . . ?
C31 N2 C32 117.2(4) . . ?
C31 N2 Dy1 124.2(3) . . ?
C32 N2 Dy1 118.5(3) . . ?
O1 C1 O2 124.8(4) . . ?
O1 C1 C2 118.0(4) . . ?
O2 C1 C2 117.2(4) . . ?
C3 C2 C7 119.7(5) . . ?
C3 C2 C1 120.3(4) . . ?
C7 C2 C1 120.0(5) . . ?
C4 C3 C2 122.3(6) . . ?
C4 C3 H3 118.9 . . ?
C2 C3 H3 118.9 . . ?
C3 C4 C5 116.1(7) . . ?
C3 C4 H4 122.0 . . ?
C5 C4 H4 122.0 . . ?
C6 C5 F1 117.6(8) . . ?
C6 C5 C4 124.7(6) . . ?
F1 C5 C4 117.7(8) . . ?
C5 C6 C7 117.6(6) . . ?
C5 C6 H6 121.2 . . ?
C7 C6 H6 121.2 . . ?
C2 C7 C6 119.6(6) . . ?
C2 C7 H7 120.2 . . ?
C6 C7 H7 120.2 . . ?
O3 C8 O4 124.9(4) . . ?
O3 C8 C9 117.7(4) . . ?
O4 C8 C9 117.4(4) . . ?
C14 C9 C10 119.4(5) . . ?
C14 C9 C8 120.5(5) . . ?
C10 C9 C8 120.0(4) . . ?
C11 C10 C9 119.8(6) . . ?
C11 C10 H10 120.1 . . ?
C9 C10 H10 120.1 . . ?
C12 C11 C10 119.2(6) . . ?
C12 C11 H11 120.4 . . ?
C10 C11 H11 120.4 . . ?
C11 C12 F2 119.5(7) . . ?
C11 C12 C13 123.5(6) . . ?
F2 C12 C13 117.1(7) . . ?
C12 C13 C14 117.3(6) . . ?
C12 C13 H13 121.3 . . ?
C14 C13 H13 121.3 . . ?
C9 C14 C13 120.7(6) . . ?
C9 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
O6 C15 O5 121.5(4) . . ?
O6 C15 C16 120.2(4) . . ?
O5 C15 C16 118.2(4) . . ?
O6 C15 Dy1 64.9(2) . . ?
O5 C15 Dy1 57.3(2) . . ?
C16 C15 Dy1 169.7(3) . . ?
C21 C16 C17 118.8(5) . . ?
C21 C16 C15 121.0(4) . . ?
C17 C16 C15 120.2(5) . . ?
C18 C17 C16 119.9(6) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C19 C18 C17 118.7(6) . . ?
C19 C18 H18 120.7 . . ?
C17 C18 H18 120.7 . . ?
C20 C19 C18 122.7(6) . . ?
C20 C19 F3 118.3(7) . . ?
C18 C19 F3 118.9(6) . . ?
C19 C20 C21 118.6(6) . . ?
C19 C20 H20 120.7 . . ?
C21 C20 H20 120.7 . . ?
C20 C21 C16 121.3(5) . . ?
C20 C21 H21 119.4 . . ?
C16 C21 H21 119.4 . . ?
N1 C22 C23 123.9(5) . . ?
N1 C22 H22 118.0 . . ?
C23 C22 H22 118.0 . . ?
C24 C23 C22 118.8(5) . . ?
C24 C23 H23 120.6 . . ?
C22 C23 H23 120.6 . . ?
C23 C24 C25 120.0(5) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 C33 117.1(5) . . ?
C24 C25 C26 123.6(5) . . ?
C33 C25 C26 119.3(5) . . ?
C27 C26 C25 121.5(5) . . ?
C27 C26 H26 119.2 . . ?
C25 C26 H26 119.2 . . ?
C26 C27 C28 121.6(5) . . ?
C26 C27 H27 119.2 . . ?
C28 C27 H27 119.2 . . ?
C29 C28 C32 117.5(4) . . ?
C29 C28 C27 123.3(5) . . ?
C32 C28 C27 119.1(5) . . ?
C30 C29 C28 119.9(5) . . ?
C30 C29 H29 120.1 . . ?
C28 C29 H29 120.1 . . ?
C29 C30 C31 118.7(5) . . ?
C29 C30 H30 120.7 . . ?
C31 C30 H30 120.7 . . ?
N2 C31 C30 124.0(4) . . ?
N2 C31 H31 118.0 . . ?
C30 C31 H31 118.0 . . ?
N2 C32 C28 122.7(4) . . ?
N2 C32 C33 118.2(4) . . ?
C28 C32 C33 119.1(4) . . ?
N1 C33 C25 122.7(4) . . ?
N1 C33 C32 118.0(4) . . ?
C25 C33 C32 119.3(4) . . ?
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 O2 2.278(3) 2_575 ?
Dy1 O4 2.321(3) 2_575 ?
Dy1 O3 2.334(3) . ?
Dy1 O1 2.336(3) . ?
Dy1 O5 2.341(3) . ?
Dy1 O6 2.510(3) . ?
Dy1 N1 2.555(3) . ?
Dy1 N2 2.621(3) . ?
Dy1 C15 2.770(5) . ?
F1 C5 1.366(7) . ?
F2 C12 1.365(6) . ?
F3 C19 1.362(7) . ?
O1 C1 1.250(5) . ?
O2 C1 1.257(5) . ?
O2 Dy1 2.278(3) 2_575 ?
O3 C8 1.257(5) . ?
O4 C8 1.258(5) . ?
O4 Dy1 2.321(3) 2_575 ?
O5 C15 1.270(5) . ?
O6 C15 1.251(6) . ?
N1 C22 1.313(6) . ?
N1 C33 1.358(5) . ?
N2 C31 1.321(6) . ?
N2 C32 1.362(5) . ?
C1 C2 1.501(6) . ?
C2 C3 1.376(7) . ?
C2 C7 1.382(7) . ?
C3 C4 1.374(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.387(11) . ?
C4 H4 0.9300 . ?
C5 C6 1.349(12) . ?
C6 C7 1.412(9) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.502(6) . ?
C9 C14 1.364(7) . ?
C9 C10 1.387(7) . ?
C10 C11 1.385(7) . ?
C10 H10 0.9300 . ?
C11 C12 1.323(10) . ?
C11 H11 0.9300 . ?
C12 C13 1.374(10) . ?
C13 C14 1.393(8) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 C16 1.498(7) . ?
C16 C21 1.377(7) . ?
C16 C17 1.389(7) . ?
C17 C18 1.389(8) . ?
C17 H17 0.9300 . ?
C18 C19 1.359(10) . ?
C18 H18 0.9300 . ?
C19 C20 1.352(8) . ?
C20 C21 1.372(7) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 C23 1.392(7) . ?
C22 H22 0.9300 . ?
C23 C24 1.362(8) . ?
C23 H23 0.9300 . ?
C24 C25 1.396(7) . ?
C24 H24 0.9300 . ?
C25 C33 1.412(6) . ?
C25 C26 1.422(7) . ?
C26 C27 1.323(8) . ?
C26 H26 0.9300 . ?
C27 C28 1.438(7) . ?
C27 H27 0.9300 . ?
C28 C29 1.395(7) . ?
C28 C32 1.407(6) . ?
C29 C30 1.360(7) . ?
C29 H29 0.9300 . ?
C30 C31 1.395(7) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C32 C33 1.445(6) . ?
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
O2 Dy1 O1 C1 -10.6(4) 2_575 . . . ?
O4 Dy1 O1 C1 58.0(3) 2_575 . . . ?
O3 Dy1 O1 C1 -73.4(3) . . . . ?
O5 Dy1 O1 C1 -153.7(3) . . . . ?
O6 Dy1 O1 C1 -123.9(3) . . . . ?
N1 Dy1 O1 C1 119.4(3) . . . . ?
N2 Dy1 O1 C1 131.1(3) . . . . ?
C15 Dy1 O1 C1 -139.2(3) . . . . ?
O2 Dy1 O3 C8 -21.2(4) 2_575 . . . ?
O4 Dy1 O3 C8 44.4(4) 2_575 . . . ?
O1 Dy1 O3 C8 109.9(4) . . . . ?
O5 Dy1 O3 C8 -159.4(4) . . . . ?
O6 Dy1 O3 C8 -104.4(4) . . . . ?
N1 Dy1 O3 C8 -83.8(4) . . . . ?
N2 Dy1 O3 C8 153.2(4) . . . . ?
C15 Dy1 O3 C8 -132.4(4) . . . . ?
O2 Dy1 O5 C15 11.1(3) 2_575 . . . ?
O4 Dy1 O5 C15 -143.5(3) 2_575 . . . ?
O3 Dy1 O5 C15 72.3(3) . . . . ?
O1 Dy1 O5 C15 149.2(3) . . . . ?
O6 Dy1 O5 C15 -5.1(2) . . . . ?
N1 Dy1 O5 C15 -71.5(3) . . . . ?
N2 Dy1 O5 C15 -134.4(3) . . . . ?
O2 Dy1 O6 C15 -162.7(3) 2_575 . . . ?
O4 Dy1 O6 C15 143.9(3) 2_575 . . . ?
O3 Dy1 O6 C15 -84.2(3) . . . . ?
O1 Dy1 O6 C15 -32.8(3) . . . . ?
O5 Dy1 O6 C15 5.2(2) . . . . ?
N1 Dy1 O6 C15 109.0(3) . . . . ?
N2 Dy1 O6 C15 58.1(3) . . . . ?
O2 Dy1 N1 C22 -30.9(4) 2_575 . . . ?
O4 Dy1 N1 C22 -110.9(4) 2_575 . . . ?
O3 Dy1 N1 C22 29.1(5) . . . . ?
O1 Dy1 N1 C22 -171.7(3) . . . . ?
O5 Dy1 N1 C22 101.7(4) . . . . ?
O6 Dy1 N1 C22 50.1(4) . . . . ?
N2 Dy1 N1 C22 175.6(4) . . . . ?
C15 Dy1 N1 C22 75.7(4) . . . . ?
O2 Dy1 N1 C33 148.9(3) 2_575 . . . ?
O4 Dy1 N1 C33 69.0(3) 2_575 . . . ?
O3 Dy1 N1 C33 -151.1(3) . . . . ?
O1 Dy1 N1 C33 8.2(4) . . . . ?
O5 Dy1 N1 C33 -78.4(3) . . . . ?
O6 Dy1 N1 C33 -130.1(3) . . . . ?
N2 Dy1 N1 C33 -4.5(3) . . . . ?
C15 Dy1 N1 C33 -104.4(3) . . . . ?
O2 Dy1 N2 C31 139.0(3) 2_575 . . . ?
O4 Dy1 N2 C31 93.4(4) 2_575 . . . ?
O3 Dy1 N2 C31 -32.6(4) . . . . ?
O1 Dy1 N2 C31 10.7(4) . . . . ?
O5 Dy1 N2 C31 -81.2(4) . . . . ?
O6 Dy1 N2 C31 -122.9(4) . . . . ?
N1 Dy1 N2 C31 -177.7(4) . . . . ?
C15 Dy1 N2 C31 -100.3(4) . . . . ?
O2 Dy1 N2 C32 -37.0(4) 2_575 . . . ?
O4 Dy1 N2 C32 -82.6(3) 2_575 . . . ?
O3 Dy1 N2 C32 151.4(3) . . . . ?
O1 Dy1 N2 C32 -165.3(3) . . . . ?
O5 Dy1 N2 C32 102.8(3) . . . . ?
O6 Dy1 N2 C32 61.1(3) . . . . ?
N1 Dy1 N2 C32 6.2(3) . . . . ?
C15 Dy1 N2 C32 83.7(3) . . . . ?
Dy1 O1 C1 O2 11.8(6) . . . . ?
Dy1 O1 C1 C2 -168.7(3) . . . . ?
Dy1 O2 C1 O1 -9.0(15) 2_575 . . . ?
Dy1 O2 C1 C2 171.5(9) 2_575 . . . ?
O1 C1 C2 C3 -28.9(6) . . . . ?
O2 C1 C2 C3 150.7(4) . . . . ?
O1 C1 C2 C7 150.2(5) . . . . ?
O2 C1 C2 C7 -30.2(6) . . . . ?
C7 C2 C3 C4 1.9(7) . . . . ?
C1 C2 C3 C4 -178.9(4) . . . . ?
C2 C3 C4 C5 -3.5(8) . . . . ?
C3 C4 C5 C6 3.2(10) . . . . ?
C3 C4 C5 F1 -179.0(5) . . . . ?
F1 C5 C6 C7 -178.9(6) . . . . ?
C4 C5 C6 C7 -1.1(12) . . . . ?
C3 C2 C7 C6 0.4(8) . . . . ?
C1 C2 C7 C6 -178.8(5) . . . . ?
C5 C6 C7 C2 -0.8(10) . . . . ?
Dy1 O3 C8 O4 -53.0(6) . . . . ?
Dy1 O3 C8 C9 128.3(4) . . . . ?
Dy1 O4 C8 O3 29.8(8) 2_575 . . . ?
Dy1 O4 C8 C9 -151.5(3) 2_575 . . . ?
O3 C8 C9 C14 -0.3(7) . . . . ?
O4 C8 C9 C14 -179.2(5) . . . . ?
O3 C8 C9 C10 -177.7(4) . . . . ?
O4 C8 C9 C10 3.5(7) . . . . ?
C14 C9 C10 C11 1.1(8) . . . . ?
C8 C9 C10 C11 178.5(5) . . . . ?
C9 C10 C11 C12 -2.3(10) . . . . ?
C10 C11 C12 F2 -178.9(6) . . . . ?
C10 C11 C12 C13 1.9(13) . . . . ?
C11 C12 C13 C14 -0.3(13) . . . . ?
F2 C12 C13 C14 -179.5(7) . . . . ?
C10 C9 C14 C13 0.5(10) . . . . ?
C8 C9 C14 C13 -176.9(6) . . . . ?
C12 C13 C14 C9 -0.9(11) . . . . ?
Dy1 O6 C15 O5 -9.1(4) . . . . ?
Dy1 O6 C15 C16 169.9(4) . . . . ?
Dy1 O5 C15 O6 9.8(4) . . . . ?
Dy1 O5 C15 C16 -169.3(3) . . . . ?
O2 Dy1 C15 O6 17.7(3) 2_575 . . . ?
O4 Dy1 C15 O6 -84.5(5) 2_575 . . . ?
O3 Dy1 C15 O6 87.8(3) . . . . ?
O1 Dy1 C15 O6 155.8(2) . . . . ?
O5 Dy1 C15 O6 -170.8(4) . . . . ?
N1 Dy1 C15 O6 -64.6(3) . . . . ?
N2 Dy1 C15 O6 -126.9(3) . . . . ?
O2 Dy1 C15 O5 -171.5(2) 2_575 . . . ?
O4 Dy1 C15 O5 86.3(5) 2_575 . . . ?
O3 Dy1 C15 O5 -101.4(3) . . . . ?
O1 Dy1 C15 O5 -33.4(3) . . . . ?
O6 Dy1 C15 O5 170.8(4) . . . . ?
N1 Dy1 C15 O5 106.2(3) . . . . ?
N2 Dy1 C15 O5 43.9(3) . . . . ?
O2 Dy1 C15 C16 -104.8(19) 2_575 . . . ?
O4 Dy1 C15 C16 153.1(17) 2_575 . . . ?
O3 Dy1 C15 C16 -34.6(19) . . . . ?
O1 Dy1 C15 C16 33.4(19) . . . . ?
O5 Dy1 C15 C16 66.7(18) . . . . ?
O6 Dy1 C15 C16 -122(2) . . . . ?
N1 Dy1 C15 C16 173.0(19) . . . . ?
N2 Dy1 C15 C16 110.7(19) . . . . ?
O6 C15 C16 C21 176.7(4) . . . . ?
O5 C15 C16 C21 -4.2(6) . . . . ?
Dy1 C15 C16 C21 -66(2) . . . . ?
O6 C15 C16 C17 -4.3(7) . . . . ?
O5 C15 C16 C17 174.7(4) . . . . ?
Dy1 C15 C16 C17 113.4(18) . . . . ?
C21 C16 C17 C18 -0.8(8) . . . . ?
C15 C16 C17 C18 -179.8(5) . . . . ?
C16 C17 C18 C19 0.6(10) . . . . ?
C17 C18 C19 C20 -0.9(11) . . . . ?
C17 C18 C19 F3 179.8(6) . . . . ?
C18 C19 C20 C21 1.4(10) . . . . ?
F3 C19 C20 C21 -179.4(5) . . . . ?
C19 C20 C21 C16 -1.5(8) . . . . ?
C17 C16 C21 C20 1.3(8) . . . . ?
C15 C16 C21 C20 -179.8(4) . . . . ?
C33 N1 C22 C23 -1.0(8) . . . . ?
Dy1 N1 C22 C23 178.8(4) . . . . ?
N1 C22 C23 C24 0.4(9) . . . . ?
C22 C23 C24 C25 -0.1(9) . . . . ?
C23 C24 C25 C33 0.5(8) . . . . ?
C23 C24 C25 C26 -178.7(6) . . . . ?
C24 C25 C26 C27 -179.2(6) . . . . ?
C33 C25 C26 C27 1.7(9) . . . . ?
C25 C26 C27 C28 0.5(10) . . . . ?
C26 C27 C28 C29 175.7(6) . . . . ?
C26 C27 C28 C32 -1.2(9) . . . . ?
C32 C28 C29 C30 1.2(9) . . . . ?
C27 C28 C29 C30 -175.7(6) . . . . ?
C28 C29 C30 C31 -1.5(9) . . . . ?
C32 N2 C31 C30 1.6(7) . . . . ?
Dy1 N2 C31 C30 -174.5(4) . . . . ?
C29 C30 C31 N2 0.0(9) . . . . ?
C31 N2 C32 C28 -1.8(7) . . . . ?
Dy1 N2 C32 C28 174.5(4) . . . . ?
C31 N2 C32 C33 176.0(4) . . . . ?
Dy1 N2 C32 C33 -7.7(5) . . . . ?
C29 C28 C32 N2 0.4(8) . . . . ?
C27 C28 C32 N2 177.4(5) . . . . ?
C29 C28 C32 C33 -177.4(5) . . . . ?
C27 C28 C32 C33 -0.3(7) . . . . ?
C22 N1 C33 C25 1.4(7) . . . . ?
Dy1 N1 C33 C25 -178.5(3) . . . . ?
C22 N1 C33 C32 -177.4(4) . . . . ?
Dy1 N1 C33 C32 2.7(5) . . . . ?
C24 C25 C33 N1 -1.1(7) . . . . ?
C26 C25 C33 N1 178.0(5) . . . . ?
C24 C25 C33 C32 177.7(5) . . . . ?
C26 C25 C33 C32 -3.1(7) . . . . ?
N2 C32 C33 N1 3.5(6) . . . . ?
C28 C32 C33 N1 -178.7(4) . . . . ?
N2 C32 C33 C25 -175.4(4) . . . . ?
C28 C32 C33 C25 2.5(7) . . . . ?
