#------------------------------------------------------------------------------
#$Date: 2016-03-26 13:59:47 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180243 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/29/7112954.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_7112954
loop_
_publ_author_name
'Ma, Yue'
'Xu, Gong-Feng'
'Yang, Xi'
'Li, Li-Cun'
'Tang, Jinkui'
'Yan, Shi-Ping'
'Cheng, Peng'
'Liao, Dai-Zheng'
_publ_section_title
;
 Pyrazine-bridged Dy2 single-molecule magnet with a large anisotropic
 barrier.
;
_journal_issue                   43
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              8264
_journal_page_last               8266
_journal_paper_doi               10.1039/c0cc01423k
_journal_volume                  46
_journal_year                    2010
_chemical_formula_sum            'C42 H26 Dy2 F36 N6 O16'
_chemical_formula_weight         1879.69
_chemical_name_systematic
;
?
;
_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                109.99(4)
_cell_angle_beta                 114.20(2)
_cell_angle_gamma                94.85(3)
_cell_formula_units_Z            1
_cell_length_a                   11.088(2)
_cell_length_b                   13.030(3)
_cell_length_c                   13.387(6)
_cell_measurement_reflns_used    11765
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      2.99
_cell_volume                     1599.9(11)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_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  0.0330
_diffrn_reflns_av_sigmaI/netI    0.0487
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10106
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         2.99
_exptl_absorpt_coefficient_mu    2.487
_exptl_absorpt_correction_T_max  0.7891
_exptl_absorpt_correction_T_min  0.6917
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.951
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             904
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.884
_refine_diff_density_min         -1.765
_refine_diff_density_rms         0.122
_refine_ls_extinction_coef       0.0010(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     589
_refine_ls_number_reflns         5674
_refine_ls_number_restraints     334
_refine_ls_restrained_S_all      1.181
_refine_ls_R_factor_all          0.0385
_refine_ls_R_factor_gt           0.0362
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0467P)²+1.5056P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0873
_refine_ls_wR_factor_ref         0.0893
_reflns_number_gt                5375
_reflns_number_total             5674
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0cc01423k.txt
_cod_data_source_block           c091015h
_cod_depositor_comments
;
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_cell_volume        1599.9(9)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7112954
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
Dy1 Dy 0.68954(2) 0.226058(15) 0.737624(16) 0.03054(11) Uani 1 1 d . A .
F1 F 1.0101(6) 0.3865(6) 0.6261(6) 0.137(2) Uani 1 1 d U . .
F3 F 0.9057(7) 0.4875(5) 0.5506(6) 0.132(2) Uani 1 1 d U . .
F4 F 0.6037(17) 0.6374(11) 0.6855(13) 0.111(3) Uani 0.551(10) 1 d PU A 1
F5 F 0.4647(11) 0.5361(9) 0.7146(14) 0.108(4) Uani 0.551(10) 1 d PU A 1
F6 F 0.6648(13) 0.6360(8) 0.8539(10) 0.109(3) Uani 0.551(10) 1 d PU A 1
F4' F 0.6857(15) 0.6674(10) 0.7780(17) 0.123(5) Uani 0.449(10) 1 d PU A 2
F5' F 0.5081(14) 0.5770(12) 0.6251(12) 0.100(4) Uani 0.449(10) 1 d PU A 2
F6' F 0.533(2) 0.5708(13) 0.7890(15) 0.106(4) Uani 0.449(10) 1 d PU A 2
F7 F 0.3113(6) 0.2872(5) 0.4391(5) 0.1181(19) Uani 1 1 d U . .
F8 F 0.2179(6) 0.1163(4) 0.3832(4) 0.1018(15) Uani 1 1 d U . .
F9 F 0.1439(5) 0.2456(5) 0.4676(5) 0.1180(19) Uani 1 1 d U . .
F10 F 0.2890(10) 0.3620(10) 0.8829(8) 0.140(4) Uani 0.723(9) 1 d PDU B 3
F11 F 0.3435(13) 0.2160(7) 0.9084(10) 0.140(4) Uani 0.723(9) 1 d PDU B 3
F12 F 0.4895(7) 0.3771(9) 1.0062(6) 0.124(3) Uani 0.723(9) 1 d PDU B 3
F10' F 0.2484(18) 0.255(2) 0.8521(17) 0.124(6) Uani 0.277(9) 1 d PDU B 4
F11' F 0.450(2) 0.282(2) 0.986(2) 0.115(6) Uani 0.277(9) 1 d PDU B 4
F12' F 0.387(3) 0.4170(11) 0.942(3) 0.147(7) Uani 0.277(9) 1 d PDU B 4
F13 F 0.3639(15) -0.0691(13) 0.764(2) 0.106(4) Uani 0.56(3) 1 d PU C 5
F14 F 0.5218(17) -0.1513(10) 0.8223(12) 0.086(4) Uani 0.56(3) 1 d PDU C 5
F15 F 0.440(2) -0.1562(12) 0.6484(10) 0.087(4) Uani 0.56(3) 1 d PU C 5
F13' F 0.3512(12) -0.0798(16) 0.709(2) 0.090(5) Uani 0.44(3) 1 d PDU C 6
F14' F 0.480(2) -0.126(2) 0.8410(14) 0.099(5) Uani 0.44(3) 1 d PDU C 6
F15' F 0.493(2) -0.1686(12) 0.6730(19) 0.087(5) Uani 0.44(3) 1 d PDU C 6
F16 F 0.9489(12) 0.3115(12) 1.1676(10) 0.107(4) Uani 0.593(16) 1 d PDU C 7
F17 F 0.8623(15) 0.1600(10) 1.1726(8) 0.106(3) Uani 0.593(16) 1 d PU C 7
F18 F 0.7530(12) 0.2861(14) 1.1671(8) 0.117(4) Uani 0.593(16) 1 d PDU C 7
F16' F 0.817(2) 0.3461(16) 1.1612(12) 0.118(5) Uani 0.407(16) 1 d PU C 8
F17' F 0.9680(11) 0.2586(17) 1.1692(15) 0.097(5) Uani 0.407(16) 1 d PDU C 8
F18' F 0.799(2) 0.1909(17) 1.1826(13) 0.112(5) Uani 0.407(16) 1 d PDU C 8
C1 C 0.8768(5) 0.4814(4) 0.9924(5) 0.0433(12) Uani 1 1 d . . .
H1 H 0.7915 0.4706 0.9900 0.052 Uiso 1 1 calc R . .
C2 C 1.0190(5) 0.4265(4) 0.9140(4) 0.0410(11) Uani 1 1 d . . .
H2 H 1.0362 0.3766 0.8557 0.049 Uiso 1 1 calc R . .
C3 C -0.0715(10) 0.9066(7) -0.0152(8) 0.089(2) Uani 1 1 d . . .
H3 H -0.1248 0.8391 -0.0294 0.106 Uiso 1 1 calc R . .
C4 C 0.1070(9) 1.0578(7) 0.1054(7) 0.086(2) Uani 1 1 d . . .
H4 H 0.1839 1.1010 0.1790 0.103 Uiso 1 1 calc R . .
F2 F 0.8455(7) 0.3092(5) 0.4582(5) 0.128(2) Uani 1 1 d . . .
C8 C 0.7947(6) 0.3827(4) 0.6185(5) 0.0488(13) Uani 1 1 d . . .
C9 C 0.7369(7) 0.4710(5) 0.6481(6) 0.0590(16) Uani 1 1 d . . .
H9 H 0.7525 0.5321 0.6300 0.071 Uiso 1 1 calc R . .
C10 C 0.6563(6) 0.4700(4) 0.7041(5) 0.0463(12) Uani 1 1 d . A .
C11 C 0.5910(11) 0.5687(6) 0.7309(9) 0.083(3) Uani 1 1 d . . .
C12 C 0.2565(7) 0.2191(5) 0.4709(6) 0.0623(16) Uani 1 1 d . . .
C13 C 0.3589(5) 0.2234(4) 0.5900(5) 0.0429(11) Uani 1 1 d . A .
C14 C 0.3349(6) 0.2667(5) 0.6873(6) 0.0571(15) Uani 1 1 d . . .
H14 H 0.2539 0.2876 0.6768 0.069 Uiso 1 1 calc R . .
C15 C 0.4296(7) 0.2796(5) 0.8009(6) 0.0557(15) Uani 1 1 d . A .
C16 C 0.3846(9) 0.3081(8) 0.9002(7) 0.094(3) Uani 1 1 d D . .
C17 C 0.4781(7) -0.0897(5) 0.7601(6) 0.0627(17) Uani 1 1 d D . .
C18 C 0.5825(6) 0.0223(5) 0.8090(5) 0.0475(12) Uani 1 1 d . A .
C19 C 0.6551(7) 0.0816(6) 0.9346(6) 0.0598(16) Uani 1 1 d . . .
H19 H 0.6346 0.0538 0.9827 0.072 Uiso 1 1 calc R C .
C20 C 0.7568(6) 0.1807(5) 0.9880(5) 0.0527(14) Uani 1 1 d . A .
C21 C 0.8318(7) 0.2403(7) 1.1244(6) 0.080(2) Uani 1 1 d D . .
N1 N 0.8939(4) 0.4071(3) 0.9046(3) 0.0376(9) Uani 1 1 d . . .
N2 N 0.0347(8) 0.9636(6) 0.0907(6) 0.0840(19) Uani 1 1 d . . .
O1 O 0.7834(4) 0.2941(3) 0.6342(3) 0.0411(8) Uani 1 1 d . . .
O2 O 0.6288(4) 0.3975(3) 0.7379(3) 0.0446(8) Uani 1 1 d . . .
O3 O 0.4587(4) 0.1845(3) 0.5862(3) 0.0441(8) Uani 1 1 d . . .
O4 O 0.5466(4) 0.2672(3) 0.8336(3) 0.0511(9) Uani 1 1 d . . .
O5 O 0.5908(4) 0.0486(3) 0.7300(3) 0.0468(9) Uani 1 1 d . . .
O6 O 0.7937(4) 0.2304(3) 0.9361(3) 0.0504(9) Uani 1 1 d . . .
O7 O 0.8866(4) 0.1583(3) 0.7659(3) 0.0430(8) Uani 1 1 d D . .
O8 O 0.6426(4) 0.0700(3) 0.5449(3) 0.0414(8) Uani 1 1 d D . .
H8C H 0.592(7) 0.073(6) 0.478(4) 0.12(3) Uiso 1 1 d D . .
H8D H 0.624(8) 0.008(4) 0.550(7) 0.13(4) Uiso 1 1 d D . .
C7 C 0.8845(9) 0.3929(6) 0.5590(7) 0.071(2) Uani 1 1 d . . .
N3 N 0.9759(6) 0.0633(5) 0.5938(5) 0.0628(14) Uani 1 1 d . . .
C5 C 0.9125(7) 0.0632(6) 0.4860(7) 0.0659(18) Uani 1 1 d . . .
H5 H 0.8498 0.1063 0.4721 0.079 Uiso 1 1 calc R . .
C6 C 0.9372(7) 0.0004(6) 0.3937(6) 0.0684(18) Uani 1 1 d . . .
H6 H 0.8906 0.0029 0.3192 0.082 Uiso 1 1 calc R . .
H7D H 0.916(5) 0.129(4) 0.817(4) 0.051(17) Uiso 1 1 d D . .
H7C H 0.915(6) 0.142(5) 0.714(4) 0.057(18) Uiso 1 1 d 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'
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
O7 Dy1 O1 75.28(12) . .
O7 Dy1 O2 136.58(13) . .
O1 Dy1 O2 71.48(12) . .
O7 Dy1 O3 139.66(12) . .
O1 Dy1 O3 93.29(12) . .
O2 Dy1 O3 69.97(13) . .
O7 Dy1 O6 71.59(13) . .
O1 Dy1 O6 131.41(13) . .
O2 Dy1 O6 112.09(13) . .
O3 Dy1 O6 134.58(13) . .
O7 Dy1 O4 138.47(13) . .
O1 Dy1 O4 141.30(12) . .
O2 Dy1 O4 69.90(12) . .
O3 Dy1 O4 71.30(13) . .
O6 Dy1 O4 67.89(13) . .
O7 Dy1 O5 85.14(13) . .
O1 Dy1 O5 139.85(11) . .
O2 Dy1 O5 138.00(13) . .
O3 Dy1 O5 79.33(13) . .
O6 Dy1 O5 70.87(13) . .
O4 Dy1 O5 73.57(13) . .
O7 Dy1 O8 71.19(13) . .
O1 Dy1 O8 69.54(12) . .
O2 Dy1 O8 119.87(13) . .
O3 Dy1 O8 68.58(13) . .
O6 Dy1 O8 128.04(14) . .
O4 Dy1 O8 130.17(13) . .
O5 Dy1 O8 71.07(12) . .
O7 Dy1 N1 76.48(13) . .
O1 Dy1 N1 73.91(12) . .
O2 Dy1 N1 68.10(13) . .
O3 Dy1 N1 138.07(12) . .
O6 Dy1 N1 64.55(13) . .
O4 Dy1 N1 93.84(13) . .
O5 Dy1 N1 135.12(13) . .
O8 Dy1 N1 135.94(12) . .
N1 C1 C2 122.3(5) . 2_767
N1 C1 H1 118.9 . .
C2 C1 H1 118.9 2_767 .
N1 C2 C1 121.8(4) . 2_767
N1 C2 H2 119.1 . .
C1 C2 H2 119.1 2_767 .
N2 C3 C4 122.6(8) . 2_575
N2 C3 H3 118.7 . .
C4 C3 H3 118.7 2_575 .
N2 C4 C3 121.3(8) . 2_575
N2 C4 H4 119.4 . .
C3 C4 H4 119.4 2_575 .
O1 C8 C9 128.1(5) . .
O1 C8 C7 114.7(5) . .
C9 C8 C7 117.2(5) . .
C8 C9 C10 121.1(5) . .
C8 C9 H9 119.4 . .
C10 C9 H9 119.4 . .
O2 C10 C9 127.9(5) . .
O2 C10 C11 113.5(5) . .
C9 C10 C11 118.7(5) . .
F6' C11 F4 128.0(10) . .
F6' C11 F5 40.7(9) . .
F4 C11 F5 114.2(12) . .
F6' C11 F4' 111.9(13) . .
F4 C11 F4' 49.2(8) . .
F5 C11 F4' 137.2(9) . .
F6' C11 F5' 111.3(13) . .
F4 C11 F5' 46.7(8) . .
F5 C11 F5' 76.3(11) . .
F4' C11 F5' 95.5(10) . .
F6' C11 F6 63.1(10) . .
F4 C11 F6 102.6(10) . .
F5 C11 F6 103.2(9) . .
F4' C11 F6 57.0(9) . .
F5' C11 F6 139.7(8) . .
F6' C11 C10 117.0(9) . .
F4 C11 C10 115.1(8) . .
F5 C11 C10 113.1(7) . .
F4' C11 C10 109.2(9) . .
F5' C11 C10 110.0(7) . .
F6 C11 C10 107.0(8) . .
F7 C12 F9 106.9(6) . .
F7 C12 F8 105.6(6) . .
F9 C12 F8 106.5(6) . .
F7 C12 C13 110.8(5) . .
F9 C12 C13 115.3(6) . .
F8 C12 C13 111.1(5) . .
O3 C13 C14 127.9(5) . .
O3 C13 C12 113.6(5) . .
C14 C13 C12 118.5(5) . .
C13 C14 C15 121.1(5) . .
C13 C14 H14 119.4 . .
C15 C14 H14 119.4 . .
O4 C15 C14 128.2(5) . .
O4 C15 C16 113.9(6) . .
C14 C15 C16 117.9(6) . .
F11' C16 F11 55.4(11) . .
F11' C16 F10 131.1(11) . .
F11 C16 F10 110.1(8) . .
F11' C16 F12' 110.4(13) . .
F11 C16 F12' 139.8(12) . .
F10 C16 F12' 46.8(11) . .
F11' C16 F12 53.9(12) . .
F11 C16 F12 108.1(9) . .
F10 C16 F12 105.4(7) . .
F12' C16 F12 62.6(13) . .
F11' C16 F10' 106.6(11) . .
F11 C16 F10' 56.9(10) . .
F10 C16 F10' 57.6(10) . .
F12' C16 F10' 102.9(11) . .
F12 C16 F10' 139.4(10) . .
F11' C16 C15 115.9(10) . .
F11 C16 C15 110.1(7) . .
F10 C16 C15 112.9(8) . .
F12' C16 C15 109.7(13) . .
F12 C16 C15 110.1(7) . .
F10' C16 C15 110.5(9) . .
F15 C17 F14' 123.8(12) . .
F15 C17 F14 105.8(9) . .
F14' C17 F14 29.5(9) . .
F15 C17 F13' 80.3(10) . .
F14' C17 F13' 103.7(11) . .
F14 C17 F13' 127.1(10) . .
F15 C17 F13 105.7(10) . .
F14' C17 F13 79.3(10) . .
F14 C17 F13 107.1(9) . .
F13' C17 F13 28.3(8) . .
F15 C17 F15' 26.7(9) . .
F14' C17 F15' 111.1(14) . .
F14 C17 F15' 85.6(11) . .
F13' C17 F15' 106.5(11) . .
F13 C17 F15' 129.6(11) . .
F15 C17 C18 114.8(8) . .
F14' C17 C18 115.6(9) . .
F14 C17 C18 113.5(7) . .
F13' C17 C18 110.5(9) . .
F13 C17 C18 109.5(8) . .
F15' C17 C18 109.0(9) . .
O5 C18 C19 128.8(5) . .
O5 C18 C17 114.7(5) . .
C19 C18 C17 116.5(5) . .
C20 C19 C18 121.1(5) . .
C20 C19 H19 119.5 . .
C18 C19 H19 119.5 . .
O6 C20 C19 127.1(5) . .
O6 C20 C21 114.5(6) . .
C19 C20 C21 118.3(5) . .
F18' C21 F16 124.9(11) . .
F18' C21 F18 66.5(10) . .
F16 C21 F18 112.2(10) . .
F18' C21 F17' 105.7(13) . .
F16 C21 F17' 32.6(8) . .
F18 C21 F17' 133.2(11) . .
F18' C21 F16' 108.1(12) . .
F16 C21 F16' 71.4(10) . .
F18 C21 F16' 46.8(8) . .
F17' C21 F16' 102.3(12) . .
F18' C21 F17 37.4(9) . .
F16 C21 F17 105.6(9) . .
F18 C21 F17 103.3(8) . .
F17' C21 F17 76.1(10) . .
F16' C21 F17 137.3(9) . .
F18' C21 C20 116.9(9) . .
F16 C21 C20 113.9(7) . .
F18 C21 C20 111.6(7) . .
F17' C21 C20 112.4(9) . .
F16' C21 C20 110.3(9) . .
F17 C21 C20 109.4(7) . .
C2 N1 C1 116.0(4) . .
C2 N1 Dy1 124.7(3) . .
C1 N1 Dy1 119.2(3) . .
C3 N2 C4 116.2(7) . .
C8 O1 Dy1 135.3(3) . .
C10 O2 Dy1 135.6(3) . .
C13 O3 Dy1 131.5(3) . .
C15 O4 Dy1 134.2(4) . .
C18 O5 Dy1 132.0(3) . .
C20 O6 Dy1 134.2(4) . .
Dy1 O7 H7D 119(3) . .
Dy1 O7 H7C 122(3) . .
H7D O7 H7C 115(2) . .
Dy1 O8 H8C 120(6) . .
Dy1 O8 H8D 107(6) . .
H8C O8 H8D 116(2) . .
F2 C7 F3 111.0(7) . .
F2 C7 F1 102.5(7) . .
F3 C7 F1 104.2(7) . .
F2 C7 C8 113.2(6) . .
F3 C7 C8 115.4(6) . .
F1 C7 C8 109.3(6) . .
C5 N3 C6 115.8(5) . 2_756
N3 C5 C6 121.3(6) . .
N3 C5 H5 119.3 . .
C6 C5 H5 119.3 . .
N3 C6 C5 122.9(6) 2_756 .
N3 C6 H6 118.5 2_756 .
C5 C6 H6 118.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O7 2.361(4) .
Dy1 O1 2.376(3) .
Dy1 O2 2.386(3) .
Dy1 O3 2.391(4) .
Dy1 O6 2.402(4) .
Dy1 O4 2.407(3) .
Dy1 O5 2.423(3) .
Dy1 O8 2.489(4) .
Dy1 N1 2.652(4) .
F1 C7 1.341(10) .
F3 C7 1.287(8) .
F4 C11 1.270(12) .
F5 C11 1.332(13) .
F6 C11 1.391(14) .
F4' C11 1.353(16) .
F5' C11 1.385(14) .
F6' C11 1.188(15) .
F7 C12 1.309(8) .
F8 C12 1.331(8) .
F9 C12 1.311(7) .
F10 C16 1.306(11) .
F11 C16 1.303(11) .
F12 C16 1.332(8) .
F10' C16 1.377(18) .
F11' C16 1.264(19) .
F12' C16 1.328(10) .
F13 C17 1.334(15) .
F14 C17 1.327(9) .
F15 C17 1.303(14) .
F13' C17 1.329(10) .
F14' C17 1.315(10) .
F15' C17 1.346(10) .
F16 C21 1.303(9) .
F17 C21 1.403(14) .
F18 C21 1.308(9) .
F16' C21 1.346(19) .
F17' C21 1.341(10) .
F18' C21 1.298(10) .
C1 N1 1.338(6) .
C1 C2 1.377(7) 2_767
C1 H1 0.9300 .
C2 N1 1.335(6) .
C2 C1 1.377(7) 2_767
C2 H2 0.9300 .
C3 N2 1.308(11) .
C3 C4 1.362(11) 2_575
C3 H3 0.9300 .
C4 N2 1.313(11) .
C4 C3 1.362(11) 2_575
C4 H4 0.9300 .
F2 C7 1.278(8) .
C8 O1 1.248(6) .
C8 C9 1.383(8) .
C8 C7 1.529(8) .
C9 C10 1.385(8) .
C9 H9 0.9300 .
C10 O2 1.243(6) .
C10 C11 1.538(8) .
C12 C13 1.510(9) .
C13 O3 1.268(6) .
C13 C14 1.375(8) .
C14 C15 1.389(9) .
C14 H14 0.9300 .
C15 O4 1.232(7) .
C15 C16 1.546(8) .
C17 C18 1.529(8) .
C18 O5 1.252(6) .
C18 C19 1.404(8) .
C19 C20 1.383(9) .
C19 H19 0.9300 .
C20 O6 1.250(7) .
C20 C21 1.519(9) .
O7 H7D 0.856(11) .
O7 H7C 0.852(11) .
O8 H8C 0.851(11) .
O8 H8D 0.851(11) .
N3 C5 1.320(9) .
N3 C6 1.321(8) 2_756
C5 C6 1.377(9) .
C5 H5 0.9300 .
C6 N3 1.321(8) 2_756
C6 H6 0.9300 .
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
O1 C8 C9 C10 1.1(11) . .
C7 C8 C9 C10 -178.8(6) . .
C8 C9 C10 O2 2.4(10) . .
C8 C9 C10 C11 -178.0(7) . .
O2 C10 C11 F6' 6.5(16) . .
C9 C10 C11 F6' -173.2(14) . .
O2 C10 C11 F4 -172.2(11) . .
C9 C10 C11 F4 8.2(15) . .
O2 C10 C11 F5 -38.5(12) . .
C9 C10 C11 F5 141.9(10) . .
O2 C10 C11 F4' 134.7(11) . .
C9 C10 C11 F4' -44.9(14) . .
O2 C10 C11 F5' -121.7(10) . .
C9 C10 C11 F5' 58.7(12) . .
O2 C10 C11 F6 74.5(9) . .
C9 C10 C11 F6 -105.2(9) . .
F7 C12 C13 O3 -66.3(7) . .
F9 C12 C13 O3 172.0(6) . .
F8 C12 C13 O3 50.7(7) . .
F7 C12 C13 C14 114.0(7) . .
F9 C12 C13 C14 -7.6(8) . .
F8 C12 C13 C14 -128.9(6) . .
O3 C13 C14 C15 4.6(10) . .
C12 C13 C14 C15 -175.8(6) . .
C13 C14 C15 O4 7.8(10) . .
C13 C14 C15 C16 -169.2(6) . .
O4 C15 C16 F11' -20.8(17) . .
C14 C15 C16 F11' 156.6(16) . .
O4 C15 C16 F11 -81.2(10) . .
C14 C15 C16 F11 96.2(10) . .
O4 C15 C16 F10 155.4(8) . .
C14 C15 C16 F10 -27.2(11) . .
O4 C15 C16 F12' 105.0(16) . .
C14 C15 C16 F12' -77.6(17) . .
O4 C15 C16 F12 38.0(10) . .
C14 C15 C16 F12 -144.6(8) . .
O4 C15 C16 F10' -142.2(14) . .
C14 C15 C16 F10' 35.2(15) . .
F15 C17 C18 O5 17.6(14) . .
F14' C17 C18 O5 171.8(17) . .
F14 C17 C18 O5 139.4(12) . .
F13' C17 C18 O5 -70.9(14) . .
F13 C17 C18 O5 -101.0(13) . .
F15' C17 C18 O5 45.8(15) . .
F15 C17 C18 C19 -162.6(12) . .
F14' C17 C18 C19 -8.4(18) . .
F14 C17 C18 C19 -40.8(13) . .
F13' C17 C18 C19 108.9(14) . .
F13 C17 C18 C19 78.8(14) . .
F15' C17 C18 C19 -134.4(14) . .
O5 C18 C19 C20 -3.6(11) . .
C17 C18 C19 C20 176.6(6) . .
C18 C19 C20 O6 2.1(11) . .
C18 C19 C20 C21 -179.7(6) . .
O6 C20 C21 F18' -178.6(15) . .
C19 C20 C21 F18' 3.0(17) . .
O6 C20 C21 F16 -20.7(13) . .
C19 C20 C21 F16 161.0(11) . .
O6 C20 C21 F18 107.6(11) . .
C19 C20 C21 F18 -70.7(13) . .
O6 C20 C21 F17' -56.2(13) . .
C19 C20 C21 F17' 125.5(12) . .
O6 C20 C21 F16' 57.3(14) . .
C19 C20 C21 F16' -121.1(14) . .
O6 C20 C21 F17 -138.6(9) . .
C19 C20 C21 F17 43.0(11) . .
C1 C2 N1 C1 -0.8(9) 2_767 .
C1 C2 N1 Dy1 -175.6(4) 2_767 .
C2 C1 N1 C2 0.8(9) 2_767 .
C2 C1 N1 Dy1 175.9(4) 2_767 .
O7 Dy1 N1 C2 30.5(4) . .
O1 Dy1 N1 C2 -47.8(4) . .
O2 Dy1 N1 C2 -123.9(4) . .
O3 Dy1 N1 C2 -124.4(4) . .
O6 Dy1 N1 C2 106.3(4) . .
O4 Dy1 N1 C2 169.6(4) . .
O5 Dy1 N1 C2 99.1(4) . .
O8 Dy1 N1 C2 -13.0(5) . .
O7 Dy1 N1 C1 -144.1(4) . .
O1 Dy1 N1 C1 137.6(4) . .
O2 Dy1 N1 C1 61.5(4) . .
O3 Dy1 N1 C1 61.0(4) . .
O6 Dy1 N1 C1 -68.3(4) . .
O4 Dy1 N1 C1 -5.0(4) . .
O5 Dy1 N1 C1 -75.5(4) . .
O8 Dy1 N1 C1 172.4(3) . .
C4 C3 N2 C4 -0.6(15) 2_575 .
C3 C4 N2 C3 0.5(14) 2_575 .
C9 C8 O1 Dy1 -8.8(10) . .
C7 C8 O1 Dy1 171.1(4) . .
O7 Dy1 O1 C8 -143.1(5) . .
O2 Dy1 O1 C8 8.5(5) . .
O3 Dy1 O1 C8 76.1(5) . .
O6 Dy1 O1 C8 -95.0(5) . .
O4 Dy1 O1 C8 12.4(6) . .
O5 Dy1 O1 C8 153.4(5) . .
O8 Dy1 O1 C8 141.8(5) . .
N1 Dy1 O1 C8 -63.3(5) . .
C9 C10 O2 Dy1 1.7(9) . .
C11 C10 O2 Dy1 -177.9(5) . .
O7 Dy1 O2 C10 36.8(6) . .
O1 Dy1 O2 C10 -5.1(5) . .
O3 Dy1 O2 C10 -105.9(5) . .
O6 Dy1 O2 C10 123.0(5) . .
O4 Dy1 O2 C10 177.5(5) . .
O5 Dy1 O2 C10 -151.5(5) . .
O8 Dy1 O2 C10 -57.0(5) . .
N1 Dy1 O2 C10 74.5(5) . .
C14 C13 O3 Dy1 -27.9(8) . .
C12 C13 O3 Dy1 152.5(4) . .
O7 Dy1 O3 C13 171.3(4) . .
O1 Dy1 O3 C13 -117.7(4) . .
O2 Dy1 O3 C13 -48.7(4) . .
O6 Dy1 O3 C13 53.0(5) . .
O4 Dy1 O3 C13 26.0(4) . .
O5 Dy1 O3 C13 102.1(4) . .
O8 Dy1 O3 C13 175.8(5) . .
N1 Dy1 O3 C13 -48.2(5) . .
C14 C15 O4 Dy1 4.0(10) . .
C16 C15 O4 Dy1 -178.9(5) . .
O7 Dy1 O4 C15 -161.4(5) . .
O1 Dy1 O4 C15 55.8(6) . .
O2 Dy1 O4 C15 59.7(5) . .
O3 Dy1 O4 C15 -15.2(5) . .
O6 Dy1 O4 C15 -174.8(6) . .
O5 Dy1 O4 C15 -99.2(5) . .
O8 Dy1 O4 C15 -53.0(6) . .
N1 Dy1 O4 C15 124.7(5) . .
C19 C18 O5 Dy1 -16.0(10) . .
C17 C18 O5 Dy1 163.8(4) . .
O7 Dy1 O5 C18 94.7(5) . .
O1 Dy1 O5 C18 154.9(5) . .
O2 Dy1 O5 C18 -79.6(5) . .
O3 Dy1 O5 C18 -122.7(5) . .
O6 Dy1 O5 C18 22.5(5) . .
O4 Dy1 O5 C18 -49.3(5) . .
O8 Dy1 O5 C18 166.4(5) . .
N1 Dy1 O5 C18 29.4(6) . .
C19 C20 O6 Dy1 19.8(10) . .
C21 C20 O6 Dy1 -158.4(5) . .
O7 Dy1 O6 C20 -116.1(5) . .
O1 Dy1 O6 C20 -165.5(5) . .
O2 Dy1 O6 C20 110.1(5) . .
O3 Dy1 O6 C20 27.0(6) . .
O4 Dy1 O6 C20 54.6(5) . .
O5 Dy1 O6 C20 -24.9(5) . .
O8 Dy1 O6 C20 -69.9(6) . .
N1 Dy1 O6 C20 160.4(6) . .
O1 C8 C7 F2 55.7(9) . .
C9 C8 C7 F2 -124.4(8) . .
O1 C8 C7 F3 -174.9(7) . .
C9 C8 C7 F3 5.0(11) . .
O1 C8 C7 F1 -57.9(8) . .
C9 C8 C7 F1 122.0(7) . .
C6 N3 C5 C6 -0.2(12) 2_756 .
N3 C5 C6 N3 0.3(13) . 2_756
